Structure of PDB 1zrt Chain P Binding Site BS01

Receptor Information
>1zrt Chain P (length=431) Species: 1061 (Rhodobacter capsulatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGIPHDHYEPKTGIEKWLHDRLPIVGLVYDTIMIPTPKNLNWWWIWGIVL
AFTLVLQIVTGIVLAMHYTPHVDLAFASVEHIMRDVNGGWAMRYIHANGA
SLFFLAVYIHIFRGLYYGSYKAPREITWIVGMVIYLLMMGTAFMGYVLPW
GQMSFWGATVITGLFGAIPGIGPSIQAWLLGGPAVDNATLNRFFSLHYLL
PFVIAALVAIHIWAFHTTGNNNPTGVEVRRTSKADAEKDTLPFWPYFVIK
DLFALALVLLGFFAVVAYMPNYLGHPDNYVQANPLSTPAHIVPEWYFLPF
YAILRAFAADVWVVILVDGLTFGIVDAKFFGVIAMFGAIAVMALAPWLDT
SKVRSGAYRPKFRMWFWFLVLDFVVLTWVGAMPTEYPYDWISLIASTYWF
AYFLVILPLLGATEKPEPIPASIEEDFNSHY
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 chain1zrt Chain P Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1zrt X-Ray Structure of Rhodobacter Capsulatus Cytochrome bc (1): Comparison with its Mitochondrial and Chloroplast Counterparts.
Resolution3.51 Å
Binding residue
(original residue number in PDB)		Q58 G62 L65 R94 H97 A98 F104 T142 G146 Y147 L149 H198 Y199 P202
Binding residue
(residue number reindexed from 1)		Q57 G61 L64 R93 H96 A97 F103 T141 G145 Y146 L148 H197 Y198 P201
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008121 ubiquinol-cytochrome-c reductase activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0022904 respiratory electron transport chain
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0045275 respiratory chain complex III

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1zrt, PDBe:1zrt, PDBj:1zrt
PDBsum1zrt
PubMed16034531
UniProtP0CY47|CYB_RHOCA Cytochrome b (Gene Name=petB)

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