Structure of PDB 3rhy Chain B Binding Site BS01

Receptor Information

>3rhy Chain B (length=248) Species: 287 (Pseudomonas aeruginosa)

MFKHIIARTPARSLVDLGKPDYAKALEQHNAYIRALQTCDVDITLLPPDE
RFPDSVFVEDPVLCTSRCAIITRPGAESRRGETEIIEETVQRFYPGKVER
IEAPGTVEAGDIMMVGDHFYIGESARTNAEGARQMIAILEKHGLSGSVVR
LEKVLHLKTGLAYLEHNNLLAAGEFVSKPEFQDFNIIEIPEEESYAANCI
WVNERVIMPAGYPRTREKIARLGYRVIEVDTSEYRKIDGGVSCMSLRF

Ligand information

• Ligand ID: HM3
• InChI: InChI=1S/C6H6ClNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2
• InChIKey: UEAIOHHGRGSGGJ-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01: Clc1ccnc(c1)CO
  CACTVS 3.370: OCc1cc(Cl)ccn1
  OpenEye OEToolkits 1.7.0: c1cnc(cc1Cl)CO
• Formula: C6 H6 Cl N O
• Name: (4-chloropyridin-2-yl)methanol;
  4-chloro-2-hydroxymethylpyridine
• ChEMBL: CHEMBL1738813
• ZINC: ZINC000004352706
• PDB chain: 3rhy Chain B Residue 255

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3rhy On the mechanism of dimethylarginine dimethylaminohydrolase inactivation by 4-halopyridines.
• Resolution: 2.18 Å
• Binding residue (original residue number in PDB): F63 H162 D244 G245 C249
• Binding residue (residue number reindexed from 1): F57 H156 D238 G239 C243
• Annotation score: 1

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

External links

• PDB: RCSB:3rhy, PDBe:3rhy, PDBj:3rhy
• PDBsum: 3rhy
• PubMed: 21630706
• UniProt: Q9I4E3|DDAH_PSEAE N(G),N(G)-dimethylarginine dimethylaminohydrolase (Gene Name=PA1195)