Structure of PDB 3qqs Chain D Binding Site BS01

Receptor Information
>3qqs Chain D (length=330) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSWPQILGRLTDNRDLARGQAAWAMDQIMTGNARPAQIAAFAVAMTMKAP
TADEVGELAGVMLSHAHPLPADTVPDDAVDVVGTGGNLSTMAAIVVAAAG
VPVVKHGNRAGADTLEALGVRIDLGPDLVARSLAEVGIGFCFAPRFHPSY
RHAAAVRREIGVPTVFNLLGPLTNPARPRAGLIGCAFADLAEVMAGVFAA
RRSSVLVVHGDDGLDELTTTTTSTIWRVAAGSVDKLTFDPAGFGFARAQL
DQLGDAQANAAAVRAVLGGARGPVRDAVVLNAAGAIVAHAGLSRAEWLPA
WEEGLRRASAAIDTGAAEQLLARWVRFGRQ
Ligand information
Ligand ID17C
InChIInChI=1S/C14H11NO4/c16-13(17)9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14(18)19/h1-8,15H,(H,16,17)(H,18,19)
InChIKeyZFRNOTZQUGWMQN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(c(c1)C(=O)O)Nc2ccccc2C(=O)O
CACTVS 3.370OC(=O)c1ccccc1Nc2ccccc2C(O)=O
ACDLabs 12.01O=C(O)c2c(Nc1ccccc1C(=O)O)cccc2
FormulaC14 H11 N O4
Name2,2'-iminodibenzoic acid
ChEMBLCHEMBL1526652
DrugBank
ZINCZINC000000154566
PDB chain3qqs Chain D Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3qqs The Substrate Capture Mechanism of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Provides a Mode for Inhibition.
Resolution1.97 Å
Binding residue
(original residue number in PDB)		P180 P184 R187 A190 R194
Binding residue
(residue number reindexed from 1)		P144 P148 R151 A154 R158
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) V106
Catalytic site (residue number reindexed from 1) V82
Enzyme Commision number 2.4.2.18: anthranilate phosphoribosyltransferase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004048 anthranilate phosphoribosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0016763 pentosyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0000162 tryptophan biosynthetic process
Cellular Component
GO:0005576 extracellular region
GO:0005829 cytosol
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3qqs, PDBe:3qqs, PDBj:3qqs
PDBsum3qqs
PubMed23363292
UniProtP9WFX5|TRPD_MYCTU Anthranilate phosphoribosyltransferase (Gene Name=trpD)

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