Structure of PDB 2bs3 Chain C Binding Site BS01

Receptor Information
>2bs3 Chain C (length=254) Species: 844 (Wolinella succinogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTNESILESYSGVTPERKKSRMPAKLDWWQSATGLFLGLFMIGHMFFVST
ILLGDNVMLWVTKKFELDFIFEGGKPIVVSFLAAFVFAVFIAHAFLAMRK
FPINYRQYLTFKTHKDLMRHGDTTLWWIQAMTGFAMFFLGSVHLYIMMTQ
PQTIGPVSSSFRMVSEWMWPLYLVLLFAVQLHGSVGLYRLAVKWGWFDGE
TPDKTRANLKKLKTLMSAFLIVLGLLTFGAYVKKGLEQTDPNIDYKYFDY
KRTH
Ligand information
Ligand IDHEM
InChIInChI=1S/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;
InChIKeyKABFMIBPWCXCRK-RGGAHWMASA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)C(=C8C)C=C)C(=C(C7=C2)C)C=C)C)CCC(=O)O
CACTVS 3.385CC1=C(CCC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c(C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C
ACDLabs 12.01C=1c3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C)C)\C=C)C)C)CCC(=O)O
FormulaC34 H32 Fe N4 O4
NamePROTOPORPHYRIN IX CONTAINING FE;
HEME
ChEMBL
DrugBankDB18267
ZINC
PDB chain2bs3 Chain C Residue 1255 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2bs3 Experimental Support for the E-Pathway Hypothesis of Coupled Transmembrane Electron and Proton Transfer in Dihemic Quinol:Fumarate Reductase
Resolution2.19 Å
Binding residue
(original residue number in PDB)		Q30 S31 G34 L37 F90 H93 A94 A97 K100 F101 W126 G133 M136 F137 H182 G186 L190 K193
Binding residue
(residue number reindexed from 1)		Q30 S31 G34 L37 F90 H93 A94 A97 K100 F101 W126 G133 M136 F137 H182 G186 L190 K193
Annotation score4
Enzymatic activity
Enzyme Commision number 1.3.99.1: Deleted entry.
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Biological Process
GO:0006099 tricarboxylic acid cycle
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2bs3, PDBe:2bs3, PDBj:2bs3
PDBsum2bs3
PubMed16380425
UniProtP17413|FRDC_WOLSU Fumarate reductase cytochrome b subunit (Gene Name=frdC)

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