Structure of PDB 6s6r Chain A Binding Site BS01

Receptor Information
>6s6r Chain A (length=69) Species: 5702 (Trypanosoma brucei brucei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAMWHTHSEREKRVSNAVEFLLDSRVRRTPTSSKVHFLKSKGLSAEEICE
AFTKVGQPKTLNEIKRILS
Ligand information
Ligand IDKXQ
InChIInChI=1S/C9H7NO2/c11-9(12)7-3-1-2-6-4-5-10-8(6)7/h1-5,10H,(H,11,12)
InChIKeyIPDOBVFESNNYEE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)c1cccc2cc[nH]c12
OpenEye OEToolkits 2.0.7c1cc2cc[nH]c2c(c1)C(=O)O
FormulaC9 H7 N O2
Name1~{H}-indole-7-carboxylic acid
ChEMBLCHEMBL2018159
DrugBank
ZINCZINC000000158095
PDB chain6s6r Chain A Residue 104 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6s6r First crystal structure of parasitic PEX14 in complex with a fragment molecule 1H-indole-7-carboxylic acid
Resolution1.58001 Å
Binding residue
(original residue number in PDB)		F17 D20 F34
Binding residue
(residue number reindexed from 1)		F20 D23 F37
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0016560 protein import into peroxisome matrix, docking
Cellular Component
GO:0005778 peroxisomal membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:6s6r, PDBe:6s6r, PDBj:6s6r
PDBsum6s6r
PubMed
UniProtQ8IEW2

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