Structure of PDB 3khs Chain B Binding Site BS01

Receptor Information

>3khs Chain B (length=270) Species: 127569 (Grouper iridovirus)

MTDYDLAKETAAWLNKQLQIRPVLGIVCGSGLGKIGDSLETSITVAYSDI
PNFPVGAGSLIFGSVNGVSCVCMKGRFHLYEGHTAARATFPMRVFKALGV
KIVVLTNAAGGLNPSYRPGDFMVVRDHINLPGLAGANPLTGPNDDTEGER
FPSMTSVYDKTLRKYAISAARELGMSYATHEGVYCCVNGPSFETPAECKI
LRLMGSDAVGMSTAPETIVAKHGGMRCLAVSLISNVIASNCEEVLRAGEE
ASARMTALVKLVIEKIRGEL

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 3khs Chain B Residue 291

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3khs Structure of grouper iridovirus purine nucleoside phosphorylase
• Resolution: 2.38 Å
• Binding residue (original residue number in PDB): G29 S30 R81 H83 N112 S217
• Binding residue (residue number reindexed from 1): G29 S30 R76 H78 N107 S212
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): S30 H83 Y85 E86 A113 M216 S217 N240 I242
• Catalytic site (residue number reindexed from 1): S30 H78 Y80 E81 A108 M211 S212 N235 I237
• Enzyme Commision number: 2.4.2.1: purine-nucleoside phosphorylase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0004731 purine-nucleoside phosphorylase activity

Biological Process

• GO:0006139 nucleobase-containing compound metabolic process
• GO:0009116 nucleoside metabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3khs, PDBe:3khs, PDBj:3khs
• PDBsum: 3khs
• PubMed: 20124695
• UniProt: Q5YBA4