Structure of PDB 3pan Chain B Binding Site BS01

Receptor Information

>3pan Chain B (length=314) Species: 287 (Pseudomonas aeruginosa)

YEWLNALPKAELHLHLEGTLEPELLFALAERNRIALPWNDVETLRKAYAF
NNLQEFLDLYYAGADVLRTEQDFYDLTWAYLQKCKAQNVVHVEPFFDPQT
HTDRGIPFEVVLAGIRAALRDGEKLLGIRHGLILSFLRHLSEEQAQKTLD
QALPFRDAFIAVGLDSSEVGHPPSKFQRVFDRARSEGFLTVAHAGEEGPP
EYIWEALDLLKVERIDHGVRAFEDERLMRRLIDEQIPLTVCPLSNTKLCV
FDDMSQHTILDMLERGVKVTVNSDDPAYFGGYVTENFHALQQSLGMTEEQ
ARRLAQNSLDARLV

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: 3pan Chain B Residue 327

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3pan The crystal structure of adenosine deaminase with hypoxanthine bound from Pseudomonas aeruginosa
• Resolution: 2.627 Å
• Binding residue (original residue number in PDB): H16 H18 H196 D277
• Binding residue (residue number reindexed from 1): H13 H15 H193 D274
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H16 H18 H196 E199 H220 D277
• Catalytic site (residue number reindexed from 1): H13 H15 H193 E196 H217 D274
• Enzyme Commision number: 3.5.4.2: adenine deaminase.

Gene Ontology

Molecular Function

• GO:0000034 adenine deaminase activity
• GO:0008270 zinc ion binding
• GO:0016787 hydrolase activity
• GO:0019239 deaminase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006146 adenine catabolic process
• GO:0009117 nucleotide metabolic process
• GO:0043103 hypoxanthine salvage

External links

• PDB: RCSB:3pan, PDBe:3pan, PDBj:3pan
• PDBsum: 3pan
• UniProt: Q9I6Y4|ADE_PSEAE Adenine deaminase (Gene Name=PA0148)