Structure of PDB 2c8s Chain A Binding Site BS01

Receptor Information
>2c8s Chain A (length=149) Species: 408 (Methylorubrum extorquens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SQGKEGGRDTPAVKKFLETGENLYIDDKSCLRNGESLFATSCSGCHGHLA
EGKLGPGLNDNYWTYPSNTTDVGLFATIFGGANGMMGPHNENLTPDEMLQ
TIAWIRHLYTGPKQDAVWLNDEQKKAYTPYKQGEVIPKDAKGQCKPLDE
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 chain2c8s Chain A Residue 1173 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2c8s The 1.6A X-Ray Structure of the Unusual C-Type Cytochrome, Cytochrome Cl, from the Methylotrophic Bacterium Methylobacterium Extorquens.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		S64 C65 C68 H69 P79 L81 W86 T87 Y88 N91 L97 I101 P111 H112
Binding residue
(residue number reindexed from 1)		S41 C42 C45 H46 P56 L58 W63 T64 Y65 N68 L74 I78 P88 H89
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0015945 methanol metabolic process
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2c8s, PDBe:2c8s, PDBj:2c8s
PDBsum2c8s
PubMed16414073
UniProtP14774|CYCL_METEA Cytochrome c-L (Gene Name=moxG)

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