Structure of PDB 8amq Chain A Binding Site BS01

Receptor Information
>8amq Chain A (length=464) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AHHHHHHKVRLDPSRCVGHAQCYAVDPDLFPIDDSGNSILAEHEVRPEDM
QLTRDGVAACPEMALILEEDDADVLHRHQPAGSFYLPRLEYSTLPMAVDR
GVGWKTLRDAGPVVFMNGWYYLTRREDVLAALRNPKVFSSRKALQPPNPL
PVVPLAFDPPEHTRYRRILQPYFSPAALSKALPSLRRHTVAMIDAIAGRG
ECEAMADLANLFPFQLFLVLYGLPLEDRDRLIGWKDAVIAMSDRPHPTEA
DVAAARELLEYLTAMVAERRRNPGPDVLSQVQIGEDPLSEIEVLGLSHLL
ILAGLDTVTAAVGFSLLELARRPQLRAMLRDNPKQIRVFIEEIVRLEPSA
PVAPRVTTEPVTVGGMTLPAGSPVRLCMAAVNRDGSDAMSTDELVMDGKV
HRHWGFGGGPHRCLGSHLARLELTLLVGEWLNQIPDFELAPDYAPEIRFP
SKSFALKNLPLRWS
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 chain8amq Chain A Residue 2001 [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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PDB8amq Structural insights into 3Fe-4S ferredoxins diversity in M. tuberculosis highlighted by a first redox complex with P450.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		C10 G12 H13 A14 Q15 C16 S32 C54 L59
Binding residue
(residue number reindexed from 1)		C16 G18 H19 A20 Q21 C22 S38 C60 L65
Annotation score4
Enzymatic activity
Enzyme Commision number 1.14.-.-
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005506 iron ion binding
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0051538 3 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:8amq, PDBe:8amq, PDBj:8amq
PDBsum8amq
PubMed36699703
UniProtO53937;
P9WPL3|CP143_MYCTU Cytochrome P450 143 (Gene Name=cyp143)

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