Structure of PDB 4zge Chain E Binding Site BS01
Receptor Information
>4zge Chain E (length=206) Species:
285
(Comamonas testosteroni) [
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TDNAVMEQRVDALFVLTKELGLVTDQTVPDYEDALMHDWLPQNGAKLVAK
AWTDPVFKAQLLSEGVAASESLGFSFPKWWKHFVVLENTPELHNVICCSL
CSCTAFTIIGMAPDWYKELEYRARIVRQARTVLKEIGLDLPESIDIRVWD
TTADTRYMVLPLRPQGTEDWSEAQLATLITQDCLIGVSRLEAPFAALPAP
AVALGA
Ligand information
Ligand ID
FE
InChI
InChI=1S/Fe/q+3
InChIKey
VTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0
[Fe+3]
Formula
Fe
Name
FE (III) ION
ChEMBL
DrugBank
DB13949
ZINC
PDB chain
4zge Chain E Residue 301 [
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Receptor-Ligand Complex Structure
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Structure summary
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PDB
4zge
Analyzing the catalytic role of active site residues in the Fe-type nitrile hydratase from Comamonas testosteroni Ni1.
Resolution
2.8 Å
Binding residue
(original residue number in PDB)
C99 A102 S103 A104
Binding residue
(residue number reindexed from 1)
C98 A101 S102 A103
Annotation score
1
Enzymatic activity
Catalytic site (original residue number in PDB)
C99 C102 S103 C104
Catalytic site (residue number reindexed from 1)
C98 C101 S102 C103
Enzyme Commision number
4.2.1.84
: nitrile hydratase.
Gene Ontology
Molecular Function
GO:0003824
catalytic activity
GO:0046872
metal ion binding
GO:0046914
transition metal ion binding
GO:0080109
indole-3-acetonitrile nitrile hydratase activity
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Molecular Function
External links
PDB
RCSB:4zge
,
PDBe:4zge
,
PDBj:4zge
PDBsum
4zge
PubMed
26077812
UniProt
J9PBS0
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