Structure of PDB 7w7d Chain B Binding Site BS01

Receptor Information
>7w7d Chain B (length=341) Species: 257309 (Corynebacterium diphtheriae NCTC 13129) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFLGIRDIRAAAGRFALIASVVGLITLLIVMLTGLTQGLGKQNTSAIEAL
APHSVVFTTAGGSSPEFTSSEISEQQAERWKDSTPLGVSQTRIESDQNAN
TTAVMGLPEGTPLPDSVGGFIEQGALLPAELADFLHVRAGDHITLGGATV
TVAGTVKTENYSHTPVVWVDTATWQLVSHTKAVGTVLLLNQEPTIQPQDN
EVVTDLKGAFQAMPAYKSERSSLLSMQAFLYIISALVTVAFLTVWTLQRT
RDIAVLAALGASKRYLLIDALGQAAIILAAGVALGAGIGALLGWLIAGSV
PFSLGWVSVLGPALGIWLLGLIGATIAVRNVTKVDPQIALG
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 chain7w7d Chain D Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7w7d Structural basis for heme detoxification by an ATP-binding cassette-type efflux pump in gram-positive pathogenic bacteria.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		L39 H163 A215 S218 E219 L223
Binding residue
(residue number reindexed from 1)		L39 H163 A215 S218 E219 L223
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:7w7d, PDBe:7w7d, PDBj:7w7d
PDBsum7w7d
PubMed35767641
UniProtQ6NEF1

[Back to BioLiP]