Structure of PDB 8amp Chain A Binding Site BS01

Receptor Information
>8amp Chain A (length=65) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GYRVEADRDLCQGHAMCELEAPEYFRVPKRGQVEILDPEPPEEARGVIKH
AVWACPTQALSIRET
Ligand information
Ligand IDF3S
InChIInChI=1S/3Fe.4S
InChIKeyFCXHZBQOKRZXKS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385S1[Fe]S[Fe]2S[Fe]1S2
OpenEye OEToolkits 2.0.7S1[Fe]2S[Fe]3[S]2[Fe]1S3
FormulaFe3 S4
NameFE3-S4 CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain8amp Chain A Residue 101 [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]
PDB8amp Structural insights into 3Fe-4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		C12 G14 H15 A16 M17 C18 V34 C56 L61
Binding residue
(residue number reindexed from 1)		C11 G13 H14 A15 M16 C17 V33 C55 L60
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051538 3 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:8amp, PDBe:8amp, PDBj:8amp
PDBsum8amp
PubMed36699703
UniProtP71820|FERX_MYCTU Ferredoxin Fdx (Gene Name=fdx)

[Back to BioLiP]