Structure of PDB 2ci7 Chain A Binding Site BS01

Receptor Information
>2ci7 Chain A (length=273) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TFGRATHVVVRALPESLAQQALRRTKGDEVDFARAERQHQLYVGVLGSKL
GLQVVQLPADESLPDCVFVEDVAVVCEETALITRPGAPSRRKEADMMKEA
LEKLQLNIVEMKDENATLDGGDVLFTGREFFVGLSKRTNQRGAEILADTF
KDYAVSTVPVVDALHLKSFCSMAGPNLIAIGSSESAQKALKIMQQMSDHR
YDKLTVPDDTAANCIYLNIPSKGHVLLHRTPEEYPESAKVYEKLKDHMLI
PVSNSELEKVDGLLTCSSVLINK
Ligand information
Ligand IDGLY
InChIInChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
InChIKeyDHMQDGOQFOQNFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)O)N
CACTVS 3.341NCC(O)=O
ACDLabs 10.04O=C(O)CN
FormulaC2 H5 N O2
NameGLYCINE
ChEMBLCHEMBL773
DrugBankDB00145
ZINCZINC000004658552
PDB chain2ci7 Chain A Residue 1282 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ci7 Structure of the Mammalian Nos Regulator Dimethylarginine Dimethylaminohydrolase: A Basis for the Design of Specific Inhibitors.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		L29 D72 F75 R144 V267
Binding residue
(residue number reindexed from 1)		L22 D65 F68 R137 V260
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.3.18: dimethylargininase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0016403 dimethylargininase activity
GO:0016597 amino acid binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0000052 citrulline metabolic process
GO:0006525 arginine metabolic process
GO:0006809 nitric oxide biosynthetic process
GO:0017014 protein nitrosylation
GO:0045429 positive regulation of nitric oxide biosynthetic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2ci7, PDBe:2ci7, PDBj:2ci7
PDBsum2ci7
PubMed16698551
UniProtP56965|DDAH1_BOVIN N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 (Gene Name=DDAH1)

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