IMMUNOGLOBULIN FAB FRAGMENT (MC/PC$603) MOUSE (MUS $MUSCULUS) Y.SATOW,G.H.COHEN,E.A.PADLAN,D.R.DAVIES REMARK JRNL Y.SATOW,G.H.COHEN,E.A.PADLAN,D.R.DAVIES PHOSPHOCHOLINE BINDING IMMUNOGLOBULIN FAB MC/PC603$. AN X-RAY DIFFRACTION STUDY AT 2.7 ANGSTROMS J.MOL.BIOL. V. 190 593 1987 ASTM JMOBAK UK ISSN 0022-2836 070 E 1 S.RUDIKOFF,Y.SATOW,E.PADLAN,D.DAVIES,M.POTTER KAPPA CHAIN STRUCTURE FROM A CRYSTALLIZED MURINE FAB(PRIME). ROLE OF JOINING SEGMENT IN HAPTEN BINDING MOL.IMMUNOL. V. 18 705 1981 ASTM MOIMD5 UK ISSN 0161-5890 921 E 2 D.R.DAVIES,E.A.PADLAN,D.M.SEGAL IMMUNOGLOBULIN STRUCTURES AT HIGH RESOLUTION CONTEMP.TOP.MOL.IMMUNOL. V. 4 127 1975 ASTM CTMIB4 US ISSN 0090-8800 912 E 3 E.A.PADLAN,D.M.SEGAL,G.H.COHEN,D.R.DAVIES, S.RUDIKOFF,M.POTTER THE THREE-*DIMENSIONAL STRUCTURE OF THE ANTIGEN BINDING SITE OF MC/PC$ 603 PROTEIN E.E.SERCARZ,A.R.WILLIAMSON,C.F.COX THE IMMUNE SYSTEM. 7 1974 GENES,RECEPTORS,SIGNALS. PROCEEDINGS OF THE 1974 I.C.N.-U.C.L.A. SYMPOSIUM ON MOLECULAR BIOLOGY ACADEMIC PRESS,NEW YORK ISBN 0-12-637150-4 987 E 4 D.M.SEGAL,E.A.PADLAN,G.H.COHEN,S.RUDIKOFF, M.POTTER,D.R.DAVIES THE THREE-*DIMENSIONAL STRUCTURE OF A PHOSPHORYLCHOLINE-*BINDING MOUSE IMMUNOGLOBULIN FAB AND THE NATURE OF THE ANTIGEN BINDING SITE PROC.NAT.ACAD.SCI.USA V. 71 4298 1974 ASTM PNASA6 US ISSN 0027-8424 040 E 5 E.A.PADLAN,D.M.SEGAL,T.F.SPANDE,D.R.DAVIES, S.RUDIKOFF,M.POTTER STRUCTURE AT 4.5 ANGSTROMS RESOLUTION OF A PHOSPHORYLCHOLINE-BINDING FAB NATURE NEW BIOL. V. 245 167 1973 ASTM NNBYA7 UK ISSN 0369-4887 192 E 6 S.RUDIKOFF,M.POTTER,D.M.SEGAL,E.A.PADLAN,D.R.DAVIES CRYSTALS OF PHOSPHORYLCHOLINE-*BINDING FAB-*FRAGMENTS FROM MOUSE MYELOMA PROTEINS. PREPARATION AND X-*RAY ANALYSIS PROC.NAT.ACAD.SCI.USA V. 69 3689 1972 ASTM PNASA6 US ISSN 0027-8424 040 RESOLUTION. 2.7 ANGSTROMS. REFINEMENT. RESTRAINED REFINEMENT BY THE METHOD OF KONNERT AND HENDRICKSON. THE FINAL R-VALUE IS 0.225. THE RMS DEVIATION FROM IDEALITY OF THE BOND LENGTHS IS 0.02 ANGSTROMS. THE RMS DEVIATION FROM IDEALITY OF THE BOND ANGLES IS 3.5 DEGREES. CORRECTION. UPDATE JRNL REFERENCE TO REFLECT PUBLICATION. 16-JUL-87. CORRECTION. INSERT MISSING COMMA IN REFERENCE 5. 15-JUL-92. DIVMTQSPSSLSVSAGERVTMSCKSSQSLLNSGNQKNFLAWYQQKPGQPPKLLIYGASTRESGVPDRFTGSGSGTDFTLTISSVQAEDLAVYYCQNDHSYPLTFGAGTKLEIKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC ASP ILE VAL MET THR GLN SER PRO SER SER LEU SER VAL SER ALA GLY GLU ARG VAL THR MET SER CYS LYS SER SER GLN SER LEU LEU ASN SER GLY ASN GLN LYS ASN PHE LEU ALA TRP TYR GLN GLN LYS PRO GLY GLN PRO PRO LYS LEU LEU ILE TYR GLY ALA SER THR ARG GLU SER GLY VAL PRO ASP ARG PHE THR GLY SER GLY SER GLY THR ASP PHE THR LEU THR ILE SER SER VAL GLN ALA GLU ASP LEU ALA VAL TYR TYR CYS GLN ASN ASP HIS SER TYR PRO LEU THR PHE GLY ALA GLY THR LYS LEU GLU ILE LYS ARG ALA ASP ALA ALA PRO THR VAL SER ILE PHE PRO PRO SER SER GLU GLN LEU THR SER GLY GLY ALA SER VAL VAL CYS PHE LEU ASN ASN PHE TYR PRO LYS ASP ILE ASN VAL LYS TRP LYS ILE ASP GLY SER GLU ARG GLN ASN GLY VAL LEU ASN SER TRP THR ASP GLN ASP SER LYS ASP SER THR TYR SER MET SER SER THR LEU THR LEU THR LYS ASP GLU TYR GLU ARG HIS ASN SER TYR THR CYS GLU ALA THR HIS LYS THR SER THR SER PRO ILE VAL LYS SER PHE ASN ARG ASN GLU CYS Aspartic Acid D ASP 145.834406967622 None 115.02695 C4H5NO3 3 3.5 Isoleucine I ILE -118.924452889728 118.326263990502 None 113.08407 C6H11NO -1.8 -4.5 Valine V VAL -94.9992256001774 138.676696298665 None 99.06842 C5H9NO -1.5 -4.2 Methionine M MET -111.914532110789 116.830413000473 None 131.04049 C5H9NOS -1.3 -1.9 Threonine T THR -100.014586917422 119.577914753278 None 101.04768 C4H7NO2 -0.4 0.7 Glutamine Q GLN -113.502145556565 134.94729729202 None 128.05858 C5H8N2O2 0.2 3.5 Serine S SER -153.101198450505 150.23698499175 None 87.03203 C3H5NO2 0.3 0.8 Proline P PRO -69.8389025178602 178.175591493374 None 97.05277 C5H7NO 0.0 1.6 Serine S SER -108.201414926184 -0.463602636871325 None 87.03203 C3H5NO2 0.3 0.8 Serine S SER -148.308728775112 136.646884824819 None 87.03203 C3H5NO2 0.3 0.8 Leucine L LEU -138.581443452332 127.355694754437 None 113.08407 C6H11NO -1.8 -3.8 Serine S SER -127.089681940601 104.145025587514 None 87.03203 C3H5NO2 0.3 0.8 Valine V VAL -124.664798247097 160.537085501718 None 99.06842 C5H9NO -1.5 -4.2 Serine S SER -87.6570813551818 0.712266630641259 None 87.03203 C3H5NO2 0.3 0.8 alanine A ALA 85.2656115512386 137.329541480245 None 71.03712 C3H5NO -0.5 -1.8 Glycine G GLY 83.17705237262 -14.4915549366132 bII 57.02147 C2H3NO 0.0 0.4 Glutamic Acid E GLU -77.8891781033909 173.634932985804 None 129.0426 C5H7NO3 3 3.5 Arginine R ARG -123.869438671429 133.496686481656 None 156.10112 C6H12N4O 3 4.5 Valine V VAL -134.666477991461 156.63165580078 None 99.06842 C5H9NO -1.5 -4.2 Threonine T THR -148.803439165033 117.726854772614 None 101.04768 C4H7NO2 -0.4 0.7 Methionine M MET -100.889329418678 157.419276112561 None 131.04049 C5H9NOS -1.3 -1.9 Serine S SER -124.154489298388 171.475368536098 None 87.03203 C3H5NO2 0.3 0.8 Cysteine C CYS -162.769805879672 103.382163688365 None 103.00919 C3H5NOS -1 -2.5 Lysine K LYS -97.3927960923536 163.784291753993 None 128.09497 C6H12N2O 3 3.9 Serine S SER -124.784890159697 162.608565096062 None 87.03203 C3H5NO2 0.3 0.8 Serine S SER -85.6020218100604 -10.9575727362931 None 87.03203 C3H5NO2 0.3 0.8 Glutamine Q GLN -146.426322290114 147.505249386077 None 128.05858 C5H8N2O2 0.2 3.5 Serine S SER -57.539668176114 138.466305067417 bII 87.03203 C3H5NO2 0.3 0.8 Leucine L LEU -109.05262562458 2.47883940057485 None 113.08407 C6H11NO -1.8 -3.8 Leucine L LEU -87.7104475097104 131.894646239314 None 113.08407 C6H11NO -1.8 -3.8 Asparagine N ASN -72.4044500445597 165.064154355989 None 114.04293 C4H6N2O2 0.2 3.5 Serine S SER -101.599199807342 22.9584216295948 None 87.03203 C3H5NO2 0.3 0.8 Glycine G GLY -142.282855705478 -42.5470859151739 None 57.02147 C2H3NO 0.0 0.4 Asparagine N ASN -113.71595995161 -20.3884082366347 None 114.04293 C4H6N2O2 0.2 3.5 Glutamine Q GLN 62.2491398674635 81.7073858727034 lf 128.05858 C5H8N2O2 0.2 3.5 Lysine K LYS -163.15206503477 143.281019933271 None 128.09497 C6H12N2O 3 3.9 Asparagine N ASN -95.7935616556381 144.792044358295 None 114.04293 C4H6N2O2 0.2 3.5 Phenylalanine F PHE -101.891156783636 69.7549265271714 None 147.06842 C9H9NO -2.5 -2.8 Leucine L LEU -128.835710900691 128.077927357071 None 113.08407 C6H11NO -1.8 -3.8 alanine A ALA -121.242295833256 159.860696823922 None 71.03712 C3H5NO -0.5 -1.8 Tryptophan W TRP -126.506082298442 134.694343523976 None 186.07932 C11H10N2O -3.4 0.9 Tyrosine Y TYR -127.406135049985 148.569116587751 None 163.06333 C9H9NO2 -2.3 1.3 Glutamine Q GLN -112.355009549514 134.178922439603 None 128.05858 C5H8N2O2 0.2 3.5 Glutamine Q GLN -124.293952381683 96.6746016498252 None 128.05858 C5H8N2O2 0.2 3.5 Lysine K LYS -71.0661188940895 160.430673720202 None 128.09497 C6H12N2O 3 3.9 Proline P PRO -58.8377449336289 115.870227024947 bII 97.05277 C5H7NO 0.0 1.6 Glycine G GLY 75.3092675605134 32.3621033978107 lf 57.02147 C2H3NO 0.0 0.4 Glutamine Q GLN -136.729182843508 163.589716432426 None 128.05858 C5H8N2O2 0.2 3.5 Proline P PRO -72.4593013518724 168.615378505651 None 97.05277 C5H7NO 0.0 1.6 Proline P PRO -69.0622841222622 155.751817499964 None 97.05277 C5H7NO 0.0 1.6 Lysine K LYS -140.437802882394 132.579256007536 None 128.09497 C6H12N2O 3 3.9 Leucine L LEU -51.2968842870917 125.684998505087 bII 113.08407 C6H11NO -1.8 -3.8 Leucine L LEU -106.299177398786 -66.3308174412387 None 113.08407 C6H11NO -1.8 -3.8 Isoleucine I ILE -131.183079930118 139.682175426338 None 113.08407 C6H11NO -1.8 -4.5 Tyrosine Y TYR -125.218823741157 169.219178430524 None 163.06333 C9H9NO2 -2.3 1.3 Glycine G GLY 65.8912330672117 -167.030468250667 None 57.02147 C2H3NO 0.0 0.4 alanine A ALA -96.2933647982593 -10.8734521465769 None 71.03712 C3H5NO -0.5 -1.8 Serine S SER -130.645101502915 -2.52238214375734 None 87.03203 C3H5NO2 0.3 0.8 Threonine T THR -86.9347868191834 124.037616512585 None 101.04768 C4H7NO2 -0.4 0.7 Arginine R ARG -83.1909851999834 128.572360838603 None 156.10112 C6H12N4O 3 4.5 Glutamic Acid E GLU -76.0667351213411 139.366457279321 bII 129.0426 C5H7NO3 3 3.5 Serine S SER -47.7150805124213 133.34763018209 bII 87.03203 C3H5NO2 0.3 0.8 Glycine G GLY 94.6564849529029 -22.6473136068151 None 57.02147 C2H3NO 0.0 0.4 Valine V VAL -74.6265158901955 140.207202477985 None 99.06842 C5H9NO -1.5 -4.2 Proline P PRO -68.3147308984603 146.399479770203 None 97.05277 C5H7NO 0.0 1.6 Aspartic Acid D ASP -70.2213672425278 4.74203853501786 None 115.02695 C4H5NO3 3 3.5 Arginine R ARG -69.2308433538586 -30.1111745824063 bI 156.10112 C6H12N4O 3 4.5 Phenylalanine F PHE -92.9865266184872 129.217507490426 None 147.06842 C9H9NO -2.5 -2.8 Threonine T THR -142.398406361524 150.464357983802 None 101.04768 C4H7NO2 -0.4 0.7 Glycine G GLY -141.399402765994 148.359442219156 None 57.02147 C2H3NO 0.0 0.4 Serine S SER -132.055383109177 -177.711875243993 None 87.03203 C3H5NO2 0.3 0.8 Glycine G GLY 106.684905330253 169.590082535624 None 57.02147 C2H3NO 0.0 0.4 Serine S SER -166.614308644684 161.119930988494 None 87.03203 C3H5NO2 0.3 0.8 Glycine G GLY 70.3873298055794 -102.158702340474 None 57.02147 C2H3NO 0.0 0.4 Threonine T THR -114.849896755473 -19.6389557398877 None 101.04768 C4H7NO2 -0.4 0.7 Aspartic Acid D ASP -118.975055057901 114.819511944519 None 115.02695 C4H5NO3 3 3.5 Phenylalanine F PHE -118.287443706452 158.557514144576 None 147.06842 C9H9NO -2.5 -2.8 Threonine T THR -143.093631338667 165.910078997002 None 101.04768 C4H7NO2 -0.4 0.7 Leucine L LEU -139.62898803116 116.753442935449 None 113.08407 C6H11NO -1.8 -3.8 Threonine T THR -108.38578999646 134.839843476201 None 101.04768 C4H7NO2 -0.4 0.7 Isoleucine I ILE -111.531073652313 120.416338268934 None 113.08407 C6H11NO -1.8 -4.5 Serine S SER -73.5353807286276 -34.2523957535905 bI 87.03203 C3H5NO2 0.3 0.8 Serine S SER -144.558764074927 86.0671867988978 None 87.03203 C3H5NO2 0.3 0.8 Valine V VAL -48.267594090751 136.365279893696 bII 99.06842 C5H9NO -1.5 -4.2 Glutamine Q GLN -132.876274629361 158.293992526982 None 128.05858 C5H8N2O2 0.2 3.5 alanine A ALA -59.7657232444744 -12.3526435945261 bI 71.03712 C3H5NO -0.5 -1.8 Glutamic Acid E GLU -88.9702758672279 -23.7829668687497 None 129.0426 C5H7NO3 3 3.5 Aspartic Acid D ASP -62.1012224654215 -8.61865121815826 None 115.02695 C4H5NO3 3 3.5 Leucine L LEU -62.2825044037692 111.116237618795 bII 113.08407 C6H11NO -1.8 -3.8 alanine A ALA -168.797435954134 -179.152517576368 None 71.03712 C3H5NO -0.5 -1.8 Valine V VAL -107.178298466022 141.565884030525 None 99.06842 C5H9NO -1.5 -4.2 Tyrosine Y TYR -117.661158964946 109.285490278523 None 163.06333 C9H9NO2 -2.3 1.3 Tyrosine Y TYR -98.0035413776789 148.575813030097 None 163.06333 C9H9NO2 -2.3 1.3 Cysteine C CYS -120.700029655632 146.145291869203 None 103.00919 C3H5NOS -1 -2.5 Glutamine Q GLN -139.963263608596 145.44269109576 None 128.05858 C5H8N2O2 0.2 3.5 Asparagine N ASN -85.1436069085213 110.729111731394 None 114.04293 C4H6N2O2 0.2 3.5 Aspartic Acid D ASP -108.282353478097 30.4490939215697 None 115.02695 C4H5NO3 3 3.5 Histidine H HIS -82.2403918790186 -58.3010578797034 None 137.05891 C6H7N3O -0.5 3.2 Serine S SER -158.693901140799 165.713966302203 None 87.03203 C3H5NO2 0.3 0.8 Tyrosine Y TYR -76.7206271636057 135.95462632978 bII 163.06333 C9H9NO2 -2.3 1.3 Proline P PRO -78.4124480811235 149.297303789238 None 97.05277 C5H7NO 0.0 1.6 Leucine L LEU -71.7473060989411 140.171732475798 None 113.08407 C6H11NO -1.8 -3.8 Threonine T THR -124.918451018471 158.461872058059 None 101.04768 C4H7NO2 -0.4 0.7 Phenylalanine F PHE -116.967000746254 166.413101134708 None 147.06842 C9H9NO -2.5 -2.8 Glycine G GLY -105.813125135283 166.501432530063 None 57.02147 C2H3NO 0.0 0.4 alanine A ALA -52.0715743467643 -38.0335457523268 bI 71.03712 C3H5NO -0.5 -1.8 Glycine G GLY 111.831107574962 168.09294501059 None 57.02147 C2H3NO 0.0 0.4 Threonine T THR -149.753058551034 111.338126954135 None 101.04768 C4H7NO2 -0.4 0.7 Lysine K LYS -82.2326424342558 140.317139119449 None 128.09497 C6H12N2O 3 3.9 Leucine L LEU -115.449450372104 122.407507438408 None 113.08407 C6H11NO -1.8 -3.8 Glutamic Acid E GLU -117.717705177818 155.164183110888 None 129.0426 C5H7NO3 3 3.5 Isoleucine I ILE -111.274044820858 134.869143717507 None 113.08407 C6H11NO -1.8 -4.5 Lysine K LYS -89.5363938581312 148.101267205567 None 128.09497 C6H12N2O 3 3.9 Arginine R ARG -151.804401323046 175.946217160285 None 156.10112 C6H12N4O 3 4.5 alanine A ALA -73.2644930184455 141.022870701107 None 71.03712 C3H5NO -0.5 -1.8 Aspartic Acid D ASP -48.08060020764 125.378909221426 bII 115.02695 C4H5NO3 3 3.5 alanine A ALA -114.004633016812 156.54249495117 None 71.03712 C3H5NO -0.5 -1.8 alanine A ALA -109.494555681195 147.975897045528 None 71.03712 C3H5NO -0.5 -1.8 Proline P PRO -73.5239732520698 144.608616551821 None 97.05277 C5H7NO 0.0 1.6 Threonine T THR -97.3083165428686 137.510587856804 None 101.04768 C4H7NO2 -0.4 0.7 Valine V VAL -117.908311835951 154.67547332947 None 99.06842 C5H9NO -1.5 -4.2 Serine S SER -146.052557446675 143.194943046826 None 87.03203 C3H5NO2 0.3 0.8 Isoleucine I ILE -123.051734245591 124.594889303365 None 113.08407 C6H11NO -1.8 -4.5 Phenylalanine F PHE -118.726864910227 117.265378776411 None 147.06842 C9H9NO -2.5 -2.8 Proline P PRO -59.8425123334438 160.682839500414 None 97.05277 C5H7NO 0.0 1.6 Proline P PRO -64.1135700736318 153.522035200205 None 97.05277 C5H7NO 0.0 1.6 Serine S SER -85.7370151230605 149.225989671483 None 87.03203 C3H5NO2 0.3 0.8 Serine S SER -66.1466729294622 -56.5555438091206 None 87.03203 C3H5NO2 0.3 0.8 Glutamic Acid E GLU -36.3505417784024 -39.4863054500077 None 129.0426 C5H7NO3 3 3.5 Glutamine Q GLN -86.061973296726 -37.5904895434414 None 128.05858 C5H8N2O2 0.2 3.5 Leucine L LEU -49.4560638675617 -54.3052917227081 None 113.08407 C6H11NO -1.8 -3.8 Threonine T THR -56.1204527654759 39.4802136461694 None 101.04768 C4H7NO2 -0.4 0.7 Serine S SER -168.456651895276 9.8215624380364 None 87.03203 C3H5NO2 0.3 0.8 Glycine G GLY 116.950429356113 -68.7061553756264 None 57.02147 C2H3NO 0.0 0.4 Glycine G GLY -81.5264347635731 172.027681441098 None 57.02147 C2H3NO 0.0 0.4 alanine A ALA -163.04823866208 118.968613934981 None 71.03712 C3H5NO -0.5 -1.8 Serine S SER -118.293245860443 118.71975380533 None 87.03203 C3H5NO2 0.3 0.8 Valine V VAL -99.6754875718481 121.244818852651 None 99.06842 C5H9NO -1.5 -4.2 Valine V VAL -106.774847577409 133.608169114796 None 99.06842 C5H9NO -1.5 -4.2 Cysteine C CYS -118.094334735868 123.252770290375 None 103.00919 C3H5NOS -1 -2.5 Phenylalanine F PHE -112.347479429197 123.250377088876 None 147.06842 C9H9NO -2.5 -2.8 Leucine L LEU -110.668120527375 115.169759966679 None 113.08407 C6H11NO -1.8 -3.8 Asparagine N ASN -111.081421239783 137.345313785854 None 114.04293 C4H6N2O2 0.2 3.5 Asparagine N ASN 63.5050555132555 59.9683596712898 lf 114.04293 C4H6N2O2 0.2 3.5 Phenylalanine F PHE -125.462374723905 160.467435279427 None 147.06842 C9H9NO -2.5 -2.8 Tyrosine Y TYR -159.188376238784 138.800539305322 None 163.06333 C9H9NO2 -2.3 1.3 Proline P PRO -70.3340013789803 178.412320078304 None 97.05277 C5H7NO 0.0 1.6 Lysine K LYS -78.0228556264635 -35.2894659411475 bI 128.09497 C6H12N2O 3 3.9 Aspartic Acid D ASP -53.6178885556677 116.224423591328 bII 115.02695 C4H5NO3 3 3.5 Isoleucine I ILE -156.360292112927 120.53460445169 None 113.08407 C6H11NO -1.8 -4.5 Asparagine N ASN -96.3182482231322 142.384341159887 None 114.04293 C4H6N2O2 0.2 3.5 Valine V VAL -125.822325593273 134.665589423247 None 99.06842 C5H9NO -1.5 -4.2 Lysine K LYS -123.285902085557 135.887793697697 None 128.09497