eF-site ID 4cra-A PDB Code 4cra Chain A click to enlarge Title Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design Classification HYDROLASE Compound COAGULATION FACTOR XI Source Homo sapiens (Human) (FA11_HUMAN) Sequence A:  IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWIL TAAHCFYGVESPKILRVYSGILNQAEIAEDTSFFGVQEII IHDQYKMAESGYDIALLKLETTVNYADSQRPISLPSKGDR NVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQK RYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVW HLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV Description (1)  COAGULATION FACTOR XI (E.C.3.4.21.27) Functional site 1) chain A residue 115 type sequence A description BINDING SITE FOR RESIDUE GOL A 1489 source : AC1 2) chain A residue 117 type sequence S description BINDING SITE FOR RESIDUE GOL A 1489 source : AC1 3) chain A residue 214 type sequence S description BINDING SITE FOR RESIDUE GOL A 1489 source : AC1 4) chain A residue 215 type sequence W description BINDING SITE FOR RESIDUE GOL A 1489 source : AC1 5) chain A residue 23 type sequence V description BINDING SITE FOR RESIDUE GOL A 1490 source : AC2 6) chain A residue 24 type sequence R description BINDING SITE FOR RESIDUE GOL A 1490 source : AC2 7) chain A residue 25 type sequence G description BINDING SITE FOR RESIDUE GOL A 1490 source : AC2 8) chain A residue 27 type sequence W description BINDING SITE FOR RESIDUE GOL A 1490 source : AC2 9) chain A residue 71 type sequence I description BINDING SITE FOR RESIDUE GOL A 1490 source : AC2 10) chain A residue 117 type sequence S description BINDING SITE FOR RESIDUE GOL A 1490 source : AC2 11) chain A residue 155 type sequence L description BINDING SITE FOR RESIDUE GOL A 1490 source : AC2 12) chain A residue 38 type sequence H description BINDING SITE FOR RESIDUE XJ8 A 1491 source : AC3 13) chain A residue 39 type sequence L description BINDING SITE FOR RESIDUE XJ8 A 1491 source : AC3 14) chain A residue 57 type sequence H description BINDING SITE FOR RESIDUE XJ8 A 1491 source : AC3 15) chain A residue 114 type sequence Y description BINDING SITE FOR RESIDUE XJ8 A 1491 source : AC3 16) chain A residue 143 type sequence Y description BINDING SITE FOR RESIDUE XJ8 A 1491 source : AC3 17) chain A residue 151 type sequence I description BINDING SITE FOR RESIDUE XJ8 A 1491 source : AC3 18) chain A residue 189 type sequence D description BINDING SITE FOR RESIDUE XJ8 A 1491 source : AC3 19) chain A residue 190 type sequence A description BINDING SITE FOR RESIDUE XJ8 A 1491 source : AC3 20) chain A residue 192 type sequence K description BINDING SITE FOR RESIDUE XJ8 A 1491 source : AC3 21) chain A residue 193 type sequence G description BINDING SITE FOR RESIDUE XJ8 A 1491 source : AC3 22) chain A residue 195 type sequence S description BINDING SITE FOR RESIDUE XJ8 A 1491 source : AC3 23) chain A residue 215 type sequence W description BINDING SITE FOR RESIDUE XJ8 A 1491 source : AC3 24) chain A residue 216 type sequence G description BINDING SITE FOR RESIDUE XJ8 A 1491 source : AC3 25) chain A residue 218 type sequence G description BINDING SITE FOR RESIDUE XJ8 A 1491 source : AC3 26) chain A residue 219 type sequence C description BINDING SITE FOR RESIDUE XJ8 A 1491 source : AC3 27) chain A residue 226 type sequence G description BINDING SITE FOR RESIDUE XJ8 A 1491 source : AC3 28) chain A residue 20 type sequence T description BINDING SITE FOR RESIDUE SO4 A 1492 source : AC4 29) chain A residue 21 type sequence A description BINDING SITE FOR RESIDUE SO4 A 1492 source : AC4 30) chain A residue 48 type sequence Q description BINDING SITE FOR RESIDUE SO4 A 1492 source : AC4 31) chain A residue 86 type sequence Q description BINDING SITE FOR RESIDUE SO4 A 1492 source : AC4 32) chain A residue 127 type sequence K description BINDING SITE FOR RESIDUE SO4 A 1493 source : AC5 33) chain A residue 127 type sequence K description BINDING SITE FOR RESIDUE SO4 A 1493 source : AC5 34) chain A residue 127 type sequence K description BINDING SITE FOR RESIDUE SO4 A 1493 source : AC5 35) chain A residue 130 type sequence R description BINDING SITE FOR RESIDUE SO4 A 1493 source : AC5 36) chain A residue 130 type sequence R description BINDING SITE FOR RESIDUE SO4 A 1493 source : AC5 37) chain A residue 130 type sequence R description BINDING SITE FOR RESIDUE SO4 A 1493 source : AC5 38) chain A residue 202 type sequence K description BINDING SITE FOR RESIDUE SO4 A 1494 source : AC6 39) chain A residue 203 type sequence W description BINDING SITE FOR RESIDUE SO4 A 1494 source : AC6 40) chain A residue 113 type CARBOHYD sequence N description N-linked (GlcNAc...) (complex) asparagine => ECO:0000269|PubMed:16335952, ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:1998667, ECO:0000269|PubMed:25092234 source Swiss-Prot : SWS_FT_FI4 41) chain A residue 73 type CARBOHYD sequence N description N-linked (GlcNAc...) (complex) asparagine => ECO:0000269|PubMed:16335952, ECO:0000269|PubMed:19159218, ECO:0000269|PubMed:25092234 source Swiss-Prot : SWS_FT_FI3 42) chain A residue 170 type BINDING sequence K description source Swiss-Prot : SWS_FT_FI2 43) chain A residue 53-58 type prosite sequence LTAAHC description TRYPSIN_HIS Serine proteases, trypsin family, histidine active site. LTAAHC source prosite : PS00134 44) chain A residue 189-198 type prosite sequence DACKGDSGGP description TRYPSIN_SER Serine proteases, trypsin family, serine active site. DAckGDSGGPLS source prosite : PS00135 45) chain A residue 57 type ACT_SITE sequence H description Charge relay system source Swiss-Prot : SWS_FT_FI1 46) chain A residue 102 type ACT_SITE sequence D description Charge relay system source Swiss-Prot : SWS_FT_FI1 47) chain A residue 195 type ACT_SITE sequence S description Charge relay system source Swiss-Prot : SWS_FT_FI1

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