Structure of PDB 5gn7 Chain D Binding Site BS02

Receptor Information

>5gn7 Chain D (length=264) Species: 5702 (Trypanosoma brucei brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

VWGHTQLNRLSFLETVPVVPLRVSDESSEDRPTWSLPDIENVAITHKKPN
GLVDTLAYRSVRTCRWLFDTFSLYRFGSITESKVISRCLFLETVAGVPGM
VGGMLRHLSSLRYMTRDKGWINTLLVEAENERMHLMTFIELRQPGLPLRV
SIIITQAIMYLFLLVAYVISPRFVHRFVGYLEEEAVITYTGVMRAIDEGR
LRPTKNDVPEVARVYWNLSKNATFRDLINVIRADEAEHRVVNHTFADMHE
KRLQNSVNPFVVLK

Ligand information

Ligand ID

InChI

InChI=1S/Fe/q+3

InChIKey

VTLYFUHAOXGGBS-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[Fe+3]

Formula

Name

FE (III) ION

PDB chain

5gn7 Chain D Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5gn7 Discovery of trypanocidal coumarins with dual inhibition of both the glycerol kinase and alternative oxidase ofTrypanosoma brucei brucei.
Resolution	3.2 Å
Binding residue (original residue number in PDB)	E162 E213 E266
Binding residue (residue number reindexed from 1)	E131 E182 E235
Annotation score	4

Enzymatic activity

Enzyme Commision number

1.-.-.-

Gene Ontology

	Molecular Function
GO:0008199	ferric iron binding
GO:0009916	alternative oxidase activity
GO:0016491	oxidoreductase activity
GO:0046872	metal ion binding

	Biological Process
GO:0010230	alternative respiration

	Cellular Component
GO:0005739	mitochondrion
GO:0005743	mitochondrial inner membrane

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Cellular Component

External links

PDB	RCSB:5gn7, PDBe:5gn7, PDBj:5gn7
PDBsum	5gn7
PubMed	31525300
UniProt	Q26710\|AOX_TRYBB Alternative oxidase, mitochondrial (Gene Name=AOX)

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