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

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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 E:  LPTSWDWRNVHGINFVSPVRNQASCGSCYSFASMGMLEAR
IRILTNNSQTPILSPQEVVSCSQYAQGCEGGFPYLIAGKY
AQDFGLVEEACFPYTGTDSPCKMKEDCFRYYSSEYHYVGG
FYGGCNEALMKLELVHHGPMAVAFEVYDDFLHYKKGIYHH
T
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 E
residue 228
type
ligand
sequence Q
description BINDING SITE FOR RESIDUE U6B F 1440
source : AC2

2) chain E
residue 234
type
ligand
sequence C
description BINDING SITE FOR RESIDUE U6B F 1440
source : AC2

3) chain E
residue 235
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE U6B F 1440
source : AC2

4) chain E
residue 275
type
ligand
sequence E
description BINDING SITE FOR RESIDUE U6B F 1440
source : AC2

5) chain E
residue 276
type
ligand
sequence G
description BINDING SITE FOR RESIDUE U6B F 1440
source : AC2

6) chain E
residue 277
type
ligand
sequence G
description BINDING SITE FOR RESIDUE U6B F 1440
source : AC2

7) chain E
residue 278
type
ligand
sequence F
description BINDING SITE FOR RESIDUE U6B F 1440
source : AC2

8) chain E
residue 354
type
ligand
sequence D
description BINDING SITE FOR RESIDUE U6B F 1440
source : AC2

9) chain E
residue 357
type
ligand
sequence L
description BINDING SITE FOR RESIDUE U6B F 1440
source : AC2

10) chain E
residue 278
type
ligand
sequence F
description BINDING SITE FOR RESIDUE CL E 1369
source : AC4

11) chain E
residue 280
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE CL E 1369
source : AC4

12) chain E
residue 323
type
ligand
sequence Y
description BINDING SITE FOR RESIDUE CL E 1369
source : AC4

13) chain E
residue 209
type
ligand
sequence T
description Binding site for Mono-Saccharide NAG E1368 bound to ASN E 252
source : AC8

14) chain E
residue 252
type
ligand
sequence N
description Binding site for Mono-Saccharide NAG E1368 bound to ASN E 252
source : AC8

15) chain E
residue 219
type binding
ligand NAG: N-ACETYL-D-GLUCOSAMINE
sequence I
description N-ACETYL-D-GLUCOSAMINE binding site
source pdb_hetatom : NAG_4cde_E_1368

16) chain E
residue 252
type binding
ligand NAG: N-ACETYL-D-GLUCOSAMINE
sequence N
description N-ACETYL-D-GLUCOSAMINE binding site
source pdb_hetatom : NAG_4cde_E_1368

17) chain E
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_F_1440

18) chain E
residue 231-235
type binding
ligand U6B: 4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE
sequence CGSCY
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_F_1440

19) chain E
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_F_1440

20) chain E
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_F_1440


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