Structure of PDB 2c6z Chain A Binding Site BS01

Receptor Information
>2c6z 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 IDCIR
InChIInChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1
InChIKeyRHGKLRLOHDJJDR-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C[C@@H](C(=O)O)N)CNC(=O)N
ACDLabs 12.01O=C(O)C(N)CCCNC(=O)N
CACTVS 3.370N[C@@H](CCCNC(N)=O)C(O)=O
OpenEye OEToolkits 1.7.0C(CC(C(=O)O)N)CNC(=O)N
CACTVS 3.370N[CH](CCCNC(N)=O)C(O)=O
FormulaC6 H13 N3 O3
NameCITRULLINE
ChEMBLCHEMBL444814
DrugBankDB00155
ZINCZINC000001532614
PDB chain2c6z Chain A Residue 1281 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2c6z Structure of the Mammalian Nos Regulator Dimethylarginine Dimethylaminohydrolase: A Basis for the Design of Specific Inbitors
Resolution1.2 Å
Binding residue
(original residue number in PDB)		L29 D72 F75 E77 D78 R97 R144 H172 V267 C273
Binding residue
(residue number reindexed from 1)		L22 D65 F68 E70 D71 R90 R137 H165 V260 C266
Annotation score5
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:2c6z, PDBe:2c6z, PDBj:2c6z
PDBsum2c6z
PubMed16698551
UniProtP56965|DDAH1_BOVIN N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 (Gene Name=DDAH1)

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