Structure of PDB 1m2a Chain B Binding Site BS01

Receptor Information
>1m2a Chain B (length=101) Species: 63363 (Aquifex aeolicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FKHVFVCVQDRPPGHPQGSCAQRGSREVFQAFMEKIQTDPQLFMTTVITP
TGCMNACMMGPVVVVYPDGVWYGQVKPEDVDEIVEKHLKGGEPVERLVIS
K
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain1m2a Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1m2a High-resolution crystal structures of the wild type and Cys-55-->Ser and Cys-59-->Ser variants of the thioredoxin-like [2Fe-2S] ferredoxin from Aquifex aeolicus
Resolution1.5 Å
Binding residue
(original residue number in PDB)		C9 Q11 C22 C55 M56 N57 A58 C59
Binding residue
(residue number reindexed from 1)		C7 Q9 C20 C53 M54 N55 A56 C57
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:1m2a, PDBe:1m2a, PDBj:1m2a
PDBsum1m2a
PubMed12089152
UniProtO66511|FER2_AQUAE Ferredoxin, 2Fe-2S (Gene Name=fdx4)

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