Structure of PDB 4gxw Chain B Binding Site BS01

Receptor Information

>4gxw Chain B (length=364) Species: 339670 (Burkholderia ambifaria AMMD)

GTPGNVPAARTGIEITAAHRAFFHALPKVELHCHLLGAVRHDTFVALAQR
SGAPIERAEIDAFYARGEKPVGVLHVLRALDRYLLTRPDDLRRIAYEYLE
DAAAHNVRHAEFFWNPTGTVRVSGIPYADAQAAIVTGMRDAARDFGIGAR
LIPSIDREQDPDEAVAIVDWMKANRADEVAGIGIDYRENDRPPELFWKAY
RDARAAGFRTTAHAGEFGMPWRNVETAVDLLHVDRVDHGYTIVDNPELCA
RYAERGIVFTVVPTNSYYLRTLPPDQWAERHPMRKMPGLGLKIHPNTDDP
TLHKVNPSEAWELMFSHFGFTIADLKQFMLNGIDGAWVDDDTKAAWRAAW
APEFDMLADTLAAD

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 4gxw Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4gxw Crystal structure of a cog1816 amidohydrolase (target EFI-505188) from Burkhoderia ambifaria, with bound Zn
• Resolution: 1.3 Å
• Binding residue (original residue number in PDB): H34 H36 H215 D300
• Binding residue (residue number reindexed from 1): H32 H34 H213 D298
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H34 H36 H215 E218 H240 D300
• Catalytic site (residue number reindexed from 1): H32 H34 H213 E216 H238 D298
• Enzyme Commision number: 3.5.4.4: adenosine deaminase.

Gene Ontology

Molecular Function

• GO:0000034 adenine deaminase activity
• GO:0004000 adenosine deaminase activity
• GO:0016787 hydrolase activity
• GO:0019239 deaminase activity
• GO:0046872 metal ion binding
• GO:0046936 2'-deoxyadenosine deaminase activity

Biological Process

• GO:0006146 adenine catabolic process
• GO:0043103 hypoxanthine salvage

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:4gxw, PDBe:4gxw, PDBj:4gxw
• PDBsum: 4gxw
• UniProt: Q0B6Q2