Structure of PDB 1h70 Chain A Binding Site BS01

Receptor Information
>1h70 Chain A (length=255) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FMFKHIIARTPARSLVDGLTSSHLGKPDYAKALEQHNAYIRALQTCDVDI
TLLPPDERFPDSVFVEDPVLCTSRCAIITRPGAESRRGETEIIEETVQRF
YPGKVERIEAPGTVEAGDIMMVGDHFYIGESARTNAEGARQMIAILEKHG
LSGSVVRLEKVLHLKTGLAYLEHNNLLAAGEFVSKPEFQDFNIIEIPEEE
SYAANCIWVNERVIMPAGYPRTREKIARLGYRVIEVDTSEYRKIDGGVSS
MSLRF
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 chain1h70 Chain A Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1h70 Structural insights into the hydrolysis of cellular nitric oxide synthase inhibitors by dimethylarginine dimethylaminohydrolase.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		L18 D60 F63 E65 D66 R85 R132 H162 I243 D244 S249
Binding residue
(residue number reindexed from 1)		L19 D61 F64 E66 D67 R86 R133 H163 I244 D245 S250
Annotation score5
Enzymatic activity
Enzyme Commision number 3.5.3.18: dimethylargininase.
Gene Ontology
Molecular Function
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:0045429 positive regulation of nitric oxide biosynthetic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:1h70, PDBe:1h70, PDBj:1h70
PDBsum1h70
PubMed11473257
UniProtQ9I4E3|DDAH_PSEAE N(G),N(G)-dimethylarginine dimethylaminohydrolase (Gene Name=PA1195)

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