eF-site ID 4cde-B
PDB Code 4cde
Chain B

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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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