Structure of PDB 4p1c Chain I Binding Site BS01
Receptor Information
>4p1c Chain I (length=111) Species:
300
(Pseudomonas mendocina) [
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SFEKISSLDDIWVGEMETFETSDGTEVLIVNSEEHGVKAYQAMCPHQEIL
LSEGSYEGGVITCRAHLWTFNDGTGHGINPDDAALAEYPVEVKGDDIYVS
TKGILPNKAHS
Ligand information
Ligand ID
FES
InChI
InChI=1S/2Fe.2S
InChIKey
NIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0
S1[Fe]S[Fe]1
Formula
Fe2 S2
Name
FE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain
4p1c Chain I Residue 201 [
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Receptor-Ligand Complex Structure
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PDB
4p1c
Structural basis for biomolecular recognition in overlapping binding sites in a diiron enzyme system.
Resolution
2.4 Å
Binding residue
(original residue number in PDB)
C45 H47 Q48 C64 A66 H67 W69
Binding residue
(residue number reindexed from 1)
C44 H46 Q47 C63 A65 H66 W68
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0046872
metal ion binding
GO:0051537
2 iron, 2 sulfur cluster binding
Biological Process
GO:0009056
catabolic process
GO:0042203
toluene catabolic process
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Molecular Function
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Biological Process
External links
PDB
RCSB:4p1c
,
PDBe:4p1c
,
PDBj:4p1c
PDBsum
4p1c
PubMed
25248368
UniProt
Q00458
|TMOC_PSEME Toluene-4-monooxygenase system, ferredoxin component (Gene Name=tmoC)
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