Structure of PDB 3p4q Chain B Binding Site BS01

Receptor Information
>3p4q Chain B (length=243) Species: 362663 (Escherichia coli 536) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEMKNLKIEVVRYNPEVDTAPHSAFYEVPYDATTSLLDALGYIKDNLAPD
LSYRWSCRMAICGSCGMMVNNVPKLACKTFLRDYTDGMKVEALANFPIER
DLVVDMTHFIESLEAIKPYIIGNSRTADQGTNIQTPAQMAKYHQFSGCIN
CGLCYAACPQFGLNPEFIGPAAITLAHRYNEDSRDHGKKERMAQLNSQNG
VWSCTFVGYCSEVCPKHVDPAAAIQQGKVESSKDFLIATLKPR
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 chain3p4q Chain B Residue 244 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3p4q Geometric restraint drives on- and off-pathway catalysis by the Escherichia coli menaquinol:fumarate reductase.
Resolution3.35 Å
Binding residue
(original residue number in PDB)		S56 C57 R58 A60 C62 G63 S64 C65 L75 C77
Binding residue
(residue number reindexed from 1)		S56 C57 R58 A60 C62 G63 S64 C65 L75 C77
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.5.1: succinate dehydrogenase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008177 succinate dehydrogenase (quinone) activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding
GO:0051538 3 iron, 4 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006099 tricarboxylic acid cycle
GO:0006113 fermentation
GO:0009061 anaerobic respiration
GO:0019645 anaerobic electron transport chain
GO:0044780 bacterial-type flagellum assembly
Cellular Component
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0045283 fumarate reductase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3p4q, PDBe:3p4q, PDBj:3p4q
PDBsum3p4q
PubMed21098488
UniProtP0AC47|FRDB_ECOLI Fumarate reductase iron-sulfur subunit (Gene Name=frdB)

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