eF-site ID 4cde-B PDB Code 4cde Chain B click to enlarge Title Human DPP1 in complex with 4-amino-N-((1S)-1-cyano-2-(4-(4- cyanophenyl)phenyl)ethyl)tetrahydropyran-4-carboxamide Classification HYDROLASE Compound DIPEPTIDYL PEPTIDASE 1 EXCLUSION DOMAIN CHAIN Source (CATC_HUMAN) Sequence B:  HLPTSWDWRNVHGINFVSPVRNQASCGSCYSFASMGMLEA RIRILTNNSQTPILSPQEVVSCSQYAQGCEGGFPYLIAGK YAQDFGLVEEACFPYTGTDSPCKMKEDCFRYYSSEYHYVG GFYGGCNEALMKLELVHHGPMAVAFEVYDDFLHYKKGIYH H Description (1)  DIPEPTIDYL PEPTIDASE 1 EXCLUSION DOMAIN CHAIN (E.C.3.4.14.1), DIPEPTIDYL PEPTIDASE 1 HEAVY CHAIN (E.C.3.4.14.1), DIPEPTIDYL PEPTIDASE 1 LIGHT CHAIN (E.C.3.4.14.1) Functional site 1) chain B residue 228 type ligand sequence Q description BINDING SITE FOR RESIDUE U6B B 1368 source : AC1 2) chain B residue 234 type ligand sequence C description BINDING SITE FOR RESIDUE U6B B 1368 source : AC1 3) chain B residue 235 type ligand sequence Y description BINDING SITE FOR RESIDUE U6B B 1368 source : AC1 4) chain B residue 275 type ligand sequence E description BINDING SITE FOR RESIDUE U6B B 1368 source : AC1 5) chain B residue 276 type ligand sequence G description BINDING SITE FOR RESIDUE U6B B 1368 source : AC1 6) chain B residue 277 type ligand sequence G description BINDING SITE FOR RESIDUE U6B B 1368 source : AC1 7) chain B residue 278 type ligand sequence F description BINDING SITE FOR RESIDUE U6B B 1368 source : AC1 8) chain B residue 278 type ligand sequence F description BINDING SITE FOR RESIDUE CL B 1369 source : AC3 9) chain B residue 280 type ligand sequence Y description BINDING SITE FOR RESIDUE CL B 1369 source : AC3 10) chain B residue 323 type ligand sequence Y description BINDING SITE FOR RESIDUE CL B 1369 source : AC3 11) chain B residue 209 type ligand sequence T description Binding site for Mono-Saccharide NAG B1367 bound to ASN B 252 source : AC6 12) chain B residue 252 type ligand sequence N description Binding site for Mono-Saccharide NAG B1367 bound to ASN B 252 source : AC6 13) chain B residue 228 type binding ligand U6B: 4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE sequence Q description 4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE binding site source pdb_hetatom : U6B_4cde_B_1368 14) chain B residue 232-235 type binding ligand U6B: 4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE sequence GSCY description 4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE binding site source pdb_hetatom : U6B_4cde_B_1368 15) chain B residue 275-278 type binding ligand U6B: 4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE sequence EGGF description 4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE binding site source pdb_hetatom : U6B_4cde_B_1368 16) chain B residue 349 type binding ligand U6B: 4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE sequence A description 4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE binding site source pdb_hetatom : U6B_4cde_B_1368 17) chain B residue 219 type binding ligand NAG: N-ACETYL-D-GLUCOSAMINE sequence I description N-ACETYL-D-GLUCOSAMINE binding site source pdb_hetatom : NAG_4cde_B_1367 18) chain B residue 252 type binding ligand NAG: N-ACETYL-D-GLUCOSAMINE sequence N description N-ACETYL-D-GLUCOSAMINE binding site source pdb_hetatom : NAG_4cde_B_1367

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