Structure of PDB 3qgk Chain R Binding Site BS01

Receptor Information

>3qgk Chain R (length=564) Species: 679897 (Helicobacter mustelae 12198)

MKMKRQEYVNTYGPTTGDKVRLGDTDLWAEVEHDYTVYGEELKFGAGKTI
REGMGQSNSPDENTLDLVITNALIIDYTGIYKADIGIKNGKIHGIGKAGN
KDMQDGVTPHMVVGVGTEALAGEGMIITAGGIDSHTHFLSPQQFPTALAN
GVTTMFGGGTGPVDGTNATTITPGVWNLHRMLRAAEEYGMNVGLLGKGNS
SSRAQLVEQVKAGAIGFKLHEDWGTTPSAIDHCLSVADEYDVQVCIHTDT
VNEAGYVDDTLRAMNGRAIHAYHIEGAGGGHSPDVITMAGEVNILPSSTT
PTIPYTINTVAEHLDMLMTCHHLDKRIRFSQSRIRPGSIAAEDTLHDMGV
IAMTSSDSQAMGRAGEVIPRTWQTADKNKKEFGRLTEEKGDNDNFRIKRY
ISKYTINPAITHGVSEYIGSVEEGKIADLVVWNPAFFGVKPKIIIKGGMV
VFSEMGDSNASVPTPQPVYYREMFGHHGKAKFDTSITFVSKVAYENGIKE
KLGLERKVLPVKNCRNVTKKDFKFNNTTAKITVNPETFEVFVNGKLCTSK
PATEVALASRYTFF

Ligand information

• Ligand ID: FE
• InChI: InChI=1S/Fe/q+3
• InChIKey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Fe+3]
• Formula: Fe
• Name: FE (III) ION
• DrugBank: DB13949
• PDB chain: 3qgk Chain R Residue 774

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3qgk Iron-containing urease in a pathogenic bacterium.
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): K218 H220 H247 H273
• Binding residue (residue number reindexed from 1): K218 H220 H247 H273
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.5.1.5: urease.

Gene Ontology

Molecular Function

• GO:0005515 protein binding
• GO:0009039 urease activity
• GO:0016151 nickel cation binding
• GO:0016787 hydrolase activity
• GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
• GO:0046872 metal ion binding

Biological Process

• GO:0043419 urea catabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3qgk, PDBe:3qgk, PDBj:3qgk
• PDBsum: 3qgk
• PubMed: 21788478
• UniProt: D3UJ80