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

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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 A:  DTPANCTYLDLLGTWVFQVGSSGSQRDVNCSVMGPQEKKV
VVYLQKLDTAYDDLGNSGHFTIIYNQGFEIVLNDYKWFAF
FKYKEEGSKVTTYCNETMTGWVHDVLGRNWACFTGKKV
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 A
residue 1
type
ligand
sequence D
description BINDING SITE FOR RESIDUE U6B B 1368
source : AC1

2) chain A
residue 3
type
ligand
sequence P
description BINDING SITE FOR RESIDUE U6B B 1368
source : AC1

3) chain A
residue 5
type
ligand
sequence N
description Binding site for Mono-Saccharide NAG A1119 bound to ASN A 5
source : AC5

4) chain A
residue 53
type
ligand
sequence D
description Binding site for Mono-Saccharide NAG E1368 bound to ASN E 252
source : AC8

5) chain A
residue 1-3
type binding
ligand U6B: 4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE
sequence DTP
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

6) chain A
residue 64
type binding
ligand U6B: 4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE
sequence Y
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

7) chain A
residue 53-54
type binding
ligand NAG: N-ACETYL-D-GLUCOSAMINE
sequence DL
description N-ACETYL-D-GLUCOSAMINE binding site
source pdb_hetatom : NAG_4cde_E_1368


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