Structure of PDB 3ff3 Chain A Binding Site BS01

Receptor Information
>3ff3 Chain A (length=689) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIRWKLVSEMKAENIKSFLRSFTKLPHLAGTEQNFLLAKKIQTQWKKFGL
DSAKLVHYDVLLSYPNETNANYISIVDEHETEIFKTSPPDGYENVTNIVP
PYNAFSAQGMPEGDLVYVNYARTEDFFKLEREMGINCTGKIVIARYGKIF
RGNKVKNAMLAGAIGIILYSDPADYFAPEVQPYPKGWNLPGTAAQRGNVL
NLNGAGDPLTPGYPAKEYTFRLDVEEGVGIPRIPVHPIGYNDAEILLRYL
GGIAPPDKSWKGALNVSYSIGPGFTGSSFRKVRMHVYNINKITRIYNVVG
TIRGSVEPDRYVILGGHRDSWVFGAIDPTSGVAVLQEIARSFGKLMSKGW
RPRRTIIFASWDAEEFGLLGSTEWAEENVKILQERSIAYINSDSSIEGNY
TLRVDCTPLLYQLVYKLTKEIPSPDDGFESKSLYESWLEKDPSPENKNLP
RINKLGSGSDFEAYFQRLGIASGRARYTKNKKTDKYSSYPVYHTIYETFE
LVEKFYDPTFKKQLSVAQLRGALVYELVDSKIIPFNIQDYAEALKNYAAS
IYNLSKKHDQQLTDHGVSFDSLFSAVKNFSEAASDFHKRLIQVDLNNPIA
VRMMNDQLMLLERAFIDPLGLPGKLFYRHIIFAPSSHNKYAGESFPGIYD
AIFDIENKANSRLAWKEVKKHISIAAFTIQAAAGTLKEV
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3ff3 Chain A Residue 1751 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ff3 Structural insight into the evolutionary and pharmacologic homology of glutamate carboxypeptidases II and III
Resolution1.37 Å
Binding residue
(original residue number in PDB)		D377 E415 H543
Binding residue
(residue number reindexed from 1)		D327 E365 H493
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H367 D377 E414 E415
Catalytic site (residue number reindexed from 1) H317 D327 E364 E365
Enzyme Commision number 3.4.17.21: glutamate carboxypeptidase II.
Gene Ontology
Molecular Function
GO:0004180 carboxypeptidase activity
GO:0004181 metallocarboxypeptidase activity
GO:0005515 protein binding
GO:0008236 serine-type peptidase activity
GO:0008237 metallopeptidase activity
GO:0008239 dipeptidyl-peptidase activity
GO:0016805 dipeptidase activity
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3ff3, PDBe:3ff3, PDBj:3ff3
PDBsum3ff3
PubMed19678840
UniProtQ9Y3Q0|NALD2_HUMAN N-acetylated-alpha-linked acidic dipeptidase 2 (Gene Name=NAALAD2)

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