eF-site ID 4crd-A PDB Code 4crd 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 HLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQ Description (1)  COAGULATION FACTOR XI (E.C.3.4.21.27) Functional site 1) chain A residue 37 type sequence S description BINDING SITE FOR RESIDUE OTJ A 1244 source : AC1 2) chain A residue 38 type sequence H description BINDING SITE FOR RESIDUE OTJ A 1244 source : AC1 3) chain A residue 39 type sequence L description BINDING SITE FOR RESIDUE OTJ A 1244 source : AC1 4) chain A residue 113 type sequence N description BINDING SITE FOR RESIDUE OTJ A 1244 source : AC1 5) chain A residue 151 type sequence I description BINDING SITE FOR RESIDUE OTJ A 1244 source : AC1 6) chain A residue 189 type sequence D description BINDING SITE FOR RESIDUE OTJ A 1244 source : AC1 7) chain A residue 191 type sequence C description BINDING SITE FOR RESIDUE OTJ A 1244 source : AC1 8) chain A residue 192 type sequence K description BINDING SITE FOR RESIDUE OTJ A 1244 source : AC1 9) chain A residue 193 type sequence G description BINDING SITE FOR RESIDUE OTJ A 1244 source : AC1 10) chain A residue 194 type sequence D description BINDING SITE FOR RESIDUE OTJ A 1244 source : AC1 11) chain A residue 195 type sequence S description BINDING SITE FOR RESIDUE OTJ A 1244 source : AC1 12) chain A residue 214 type sequence S description BINDING SITE FOR RESIDUE OTJ A 1244 source : AC1 13) chain A residue 215 type sequence W description BINDING SITE FOR RESIDUE OTJ A 1244 source : AC1 14) chain A residue 216 type sequence G description BINDING SITE FOR RESIDUE OTJ A 1244 source : AC1 15) chain A residue 218 type sequence G description BINDING SITE FOR RESIDUE OTJ A 1244 source : AC1 16) chain A residue 219 type sequence C description BINDING SITE FOR RESIDUE OTJ A 1244 source : AC1 17) chain A residue 226 type sequence G description BINDING SITE FOR RESIDUE OTJ A 1244 source : AC1 18) chain A residue 227 type sequence V description BINDING SITE FOR RESIDUE OTJ A 1244 source : AC1 19) chain A residue 228 type sequence Y description BINDING SITE FOR RESIDUE OTJ A 1244 source : AC1 20) chain A residue 127 type sequence K description BINDING SITE FOR RESIDUE SO4 A 1245 source : AC2 21) chain A residue 127 type sequence K description BINDING SITE FOR RESIDUE SO4 A 1245 source : AC2 22) chain A residue 127 type sequence K description BINDING SITE FOR RESIDUE SO4 A 1245 source : AC2 23) chain A residue 130 type sequence R description BINDING SITE FOR RESIDUE SO4 A 1245 source : AC2 24) chain A residue 130 type sequence R description BINDING SITE FOR RESIDUE SO4 A 1245 source : AC2 25) chain A residue 130 type sequence R description BINDING SITE FOR RESIDUE SO4 A 1245 source : AC2 26) chain A residue 184 type sequence G description BINDING SITE FOR RESIDUE SO4 A 1246 source : AC3 27) chain A residue 185 type sequence R description BINDING SITE FOR RESIDUE SO4 A 1246 source : AC3 28) chain A residue 186 type sequence E description BINDING SITE FOR RESIDUE SO4 A 1246 source : AC3 29) chain A residue 131 type sequence N description BINDING SITE FOR RESIDUE SO4 A 1247 source : AC4 30) chain A residue 131 type sequence N description BINDING SITE FOR RESIDUE SO4 A 1247 source : AC4 31) chain A residue 131 type sequence N description BINDING SITE FOR RESIDUE SO4 A 1247 source : AC4 32) 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 33) 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 34) chain A residue 53-58 type prosite sequence LTAAHC description TRYPSIN_HIS Serine proteases, trypsin family, histidine active site. LTAAHC source prosite : PS00134 35) chain A residue 189-198 type prosite sequence DACKGDSGGP description TRYPSIN_SER Serine proteases, trypsin family, serine active site. DAckGDSGGPLS source prosite : PS00135 36) chain A residue 170 type BINDING sequence K description source Swiss-Prot : SWS_FT_FI2 37) chain A residue 57 type ACT_SITE sequence H description Charge relay system source Swiss-Prot : SWS_FT_FI1 38) chain A residue 102 type ACT_SITE sequence D description Charge relay system source Swiss-Prot : SWS_FT_FI1 39) chain A residue 195 type ACT_SITE sequence S description Charge relay system source Swiss-Prot : SWS_FT_FI1

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