Structure of PDB 2e84 Chain A Binding Site BS19

Receptor Information
>2e84 Chain A (length=513) Species: 883 (Nitratidesulfovibrio vulgaris str. 'Miyazaki F') [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPLPGSTGEQRADLVEIGVMAKFGNLELPKVTFPHDRHSEAVAKVAAPGK
ECATCHKNDDKGKMSLKFMRLEDTTAADLKNIYHANCIGCHTEQAKAGKK
TGPQDGECRSCHNPKPMASSWKQIGLDKSLHFRHVAAKAIAPVNDPQKNC
GACHHVYDEAAKKLSWVKNKEDSCRACHGDARVEKKPSLREAAHTQCITC
HRSVAAAPAKADSGPVSCAGCHDPAMQAKFKVVRDVPRLERGQPDAAMVL
PVVGPGAKKGMKGAMKPVAFNHKVHEAASNTCRACHHVKIDNCTTCHTLE
GVKDGNFVQIEKAMHQPDSMKSCVGCHNQKVQAPACAGCHGFMKTGAKPQ
PEAACGVCHADPVGMDAKTVADGGLLKATKEQRADVAAATLAARRTTKGT
LPADDIPEFVTIGVLSDKYEPSKLPHRKIVNTLMAAIGDDKLAGTFHTDK
ATVCAGCHHNSPASKTPPKCASCHGQDRPGLKAAYHQQCMGCHNRMKLEP
ADTACAECHKERA
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 chain2e84 Chain A Residue 1316 [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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PDB2e84 Structure of High-Molecular Weight Cytochrome c from Desulfovibrio vulgaris (Miyazaki F)
Resolution2.7 Å
Binding residue
(original residue number in PDB)		I446 G447 L449 S450 D451 K452 Y453 K523 Y526 H527 C530 M531 C547 C550 H551
Binding residue
(residue number reindexed from 1)		I412 G413 L415 S416 D417 K418 Y419 K482 Y485 H486 C489 M490 C505 C508 H509
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2e84, PDBe:2e84, PDBj:2e84
PDBsum2e84
PubMed
UniProtQ8VUI3

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