eF-site ID 6c0s-A PDB Code 6c0s Chain A click to enlarge Title Factor XIA in complex with the inhibitor methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2- (1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl) carbamate Classification HYDROLASE/HYDROLASE INHIBITOR Compound Coagulation factor XI Source Homo sapiens (Human) (FA11_HUMAN) Sequence A:  IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWIL TAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEII IHDQYKMAESGYDIALLKLETTVGYGDSQRPICLPSKGDR NVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQK RYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVW HLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV Description Functional site 1) chain A residue 39 type sequence R description binding site for residue EEJ A 301 source : AC1 2) chain A residue 40 type sequence H description binding site for residue EEJ A 301 source : AC1 3) chain A residue 41 type sequence L description binding site for residue EEJ A 301 source : AC1 4) chain A residue 57 type sequence H description binding site for residue EEJ A 301 source : AC1 5) chain A residue 58 type sequence C description binding site for residue EEJ A 301 source : AC1 6) chain A residue 114 type sequence Y description binding site for residue EEJ A 301 source : AC1 7) chain A residue 147 type sequence L description binding site for residue EEJ A 301 source : AC1 8) chain A residue 151 type sequence I description binding site for residue EEJ A 301 source : AC1 9) chain A residue 189 type sequence D description binding site for residue EEJ A 301 source : AC1 10) chain A residue 190 type sequence A description binding site for residue EEJ A 301 source : AC1 11) chain A residue 191 type sequence C description binding site for residue EEJ A 301 source : AC1 12) chain A residue 192 type sequence K description binding site for residue EEJ A 301 source : AC1 13) chain A residue 193 type sequence G description binding site for residue EEJ A 301 source : AC1 14) chain A residue 194 type sequence D description binding site for residue EEJ A 301 source : AC1 15) chain A residue 195 type sequence S description binding site for residue EEJ A 301 source : AC1 16) chain A residue 215 type sequence W description binding site for residue EEJ A 301 source : AC1 17) chain A residue 216 type sequence G description binding site for residue EEJ A 301 source : AC1 18) chain A residue 218 type sequence G description binding site for residue EEJ A 301 source : AC1 19) chain A residue 219 type sequence C description binding site for residue EEJ A 301 source : AC1 20) chain A residue 226 type sequence G description binding site for residue EEJ A 301 source : AC1 21) chain A residue 227 type sequence V description binding site for residue EEJ A 301 source : AC1 22) chain A residue 170 type sequence R description binding site for residue SO4 A 302 source : AC2 23) chain A residue 170 type sequence R description binding site for residue SO4 A 302 source : AC2 24) chain A residue 184 type sequence G description binding site for residue SO4 A 302 source : AC2 25) chain A residue 184 type sequence G description binding site for residue SO4 A 302 source : AC2 26) chain A residue 49 type sequence N description binding site for residue EDO A 304 source : AC4 27) chain A residue 111 type sequence T description binding site for residue EDO A 304 source : AC4 28) chain A residue 112 type sequence V description binding site for residue EDO A 304 source : AC4 29) chain A residue 114 type sequence Y description binding site for residue EDO A 304 source : AC4 30) chain A residue 24 type sequence R description binding site for residue EDO A 305 source : AC5 31) chain A residue 99 type sequence S description binding site for residue EDO A 305 source : AC5 32) chain A residue 173 type sequence G description binding site for residue EDO A 305 source : AC5 33) chain A residue 174 type sequence H description binding site for residue EDO A 305 source : AC5 34) chain A residue 175 type sequence K description binding site for residue EDO A 305 source : AC5 35) chain A residue 25 type sequence G description binding site for residue EDO A 306 source : AC6 36) chain A residue 27 type sequence W description binding site for residue EDO A 306 source : AC6 37) chain A residue 28 type sequence P description binding site for residue EDO A 306 source : AC6 38) chain A residue 69 type sequence G description binding site for residue EDO A 306 source : AC6 39) chain A residue 70 type sequence I description binding site for residue EDO A 306 source : AC6 40) chain A residue 117 type sequence S description binding site for residue EDO A 306 source : AC6 41) chain A residue 155 type sequence L description binding site for residue EDO A 306 source : AC6 42) chain A residue 81 type sequence S description binding site for residue EDO A 307 source : AC7 43) chain A residue 147 type sequence L description binding site for residue EDO A 307 source : AC7 44) chain A residue 216 type sequence G description binding site for residue EDO A 307 source : AC7 45) chain A residue 218 type sequence G description binding site for residue EDO A 307 source : AC7 46) chain A residue 98 type sequence E description binding site for residue EDO A 308 source : AC8 47) chain A residue 216 type sequence G description binding site for residue EDO A 308 source : AC8 48) chain A residue 217 type sequence E description binding site for residue EDO A 308 source : AC8 49) chain A residue 177 type sequence T description binding site for residue EDO A 309 source : AC9 50) chain A residue 178 type sequence H description binding site for residue EDO A 309 source : AC9 51) chain A residue 38 type sequence Q description binding site for residue EDO A 310 source : AD1 52) chain A residue 163 type sequence V description binding site for residue EDO A 311 source : AD2 53) chain A residue 167 type sequence E description binding site for residue EDO A 311 source : AD2 54) chain A residue 170 type sequence R description binding site for residue EDO A 311 source : AD2 55) chain A residue 184 type sequence G description binding site for residue EDO A 311 source : AD2 56) chain A residue 184 type sequence G description binding site for residue EDO A 311 source : AD2 57) chain A residue 184 type sequence G description binding site for residue EDO A 311 source : AD2 58) chain A residue 223 type sequence E description binding site for residue EDO A 311 source : AD2 59) chain A residue 225 type sequence P description binding site for residue EDO A 311 source : AD2 60) chain A residue 99 type sequence S description binding site for residue EDO A 312 source : AD3 61) chain A residue 100 type sequence G description binding site for residue EDO A 312 source : AD3 62) chain A residue 101 type sequence Y description binding site for residue EDO A 312 source : AD3 63) chain A residue 177 type sequence T description binding site for residue EDO A 312 source : AD3 64) chain A residue 47 type sequence I description binding site for residue EDO A 313 source : AD4 65) chain A residue 48 type sequence G description binding site for residue EDO A 313 source : AD4 66) chain A residue 242 type sequence T description binding site for residue EDO A 313 source : AD4 67) chain A residue 94 type sequence Y description binding site for residue EDO A 314 source : AD5 68) chain A residue 96 type sequence M description binding site for residue EDO A 314 source : AD5 69) chain A residue 97 type sequence A description binding site for residue EDO A 314 source : AD5 70) chain A residue 98 type sequence E description binding site for residue EDO A 314 source : AD5 71) chain A residue 116 type sequence D description binding site for residue EDO A 314 source : AD5 72) chain A residue 113 type CARBOHYD sequence G 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 73) chain A residue 72 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 74) chain A residue 53-58 type prosite sequence LTAAHC description TRYPSIN_HIS Serine proteases, trypsin family, histidine active site. LTAAHC source prosite : PS00134 75) chain A residue 189-200 type prosite sequence DACKGDSGGPLS description TRYPSIN_SER Serine proteases, trypsin family, serine active site. DAckGDSGGPLS source prosite : PS00135 76) chain A residue 57 type ACT_SITE sequence H description Charge relay system source Swiss-Prot : SWS_FT_FI1 77) chain A residue 102 type ACT_SITE sequence D description Charge relay system source Swiss-Prot : SWS_FT_FI1 78) chain A residue 195 type ACT_SITE sequence S description Charge relay system source Swiss-Prot : SWS_FT_FI1 79) chain A residue 169 type BINDING sequence K description source Swiss-Prot : SWS_FT_FI2

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