Structure of PDB 3qgk Chain F Binding Site BS01

Receptor Information
>3qgk Chain F (length=564) Species: 679897 (Helicobacter mustelae 12198) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKMKRQEYVNTYGPTTGDKVRLGDTDLWAEVEHDYTVYGEELKFGAGKTI
REGMGQSNSPDENTLDLVITNALIIDYTGIYKADIGIKNGKIHGIGKAGN
KDMQDGVTPHMVVGVGTEALAGEGMIITAGGIDSHTHFLSPQQFPTALAN
GVTTMFGGGTGPVDGTNATTITPGVWNLHRMLRAAEEYGMNVGLLGKGNS
SSRAQLVEQVKAGAIGFKLHEDWGTTPSAIDHCLSVADEYDVQVCIHTDT
VNEAGYVDDTLRAMNGRAIHAYHIEGAGGGHSPDVITMAGEVNILPSSTT
PTIPYTINTVAEHLDMLMTCHHLDKRIRFSQSRIRPGSIAAEDTLHDMGV
IAMTSSDSQAMGRAGEVIPRTWQTADKNKKEFGRLTEEKGDNDNFRIKRY
ISKYTINPAITHGVSEYIGSVEEGKIADLVVWNPAFFGVKPKIIIKGGMV
VFSEMGDSNASVPTPQPVYYREMFGHHGKAKFDTSITFVSKVAYENGIKE
KLGLERKVLPVKNCRNVTKKDFKFNNTTAKITVNPETFEVFVNGKLCTSK
PATEVALASRYTFF
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain3qgk Chain F Residue 774 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3qgk Iron-containing urease in a pathogenic bacterium.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		K218 H220 H247 H273
Binding residue
(residue number reindexed from 1)		K218 H220 H247 H273
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H135 H137 K218 H220 D222 H247 H273 H321 R337 D361
Catalytic site (residue number reindexed from 1) H135 H137 K218 H220 D222 H247 H273 H321 R333 D357
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3qgk, PDBe:3qgk, PDBj:3qgk
PDBsum3qgk
PubMed21788478
UniProtD3UJ80

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