Structure of PDB 4x5e Chain B Binding Site BS04

Receptor Information
>4x5e Chain B (length=343) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPSWPQILGRLTDNRDLARGQAAWAMDQIMTGNARPAQIAAFAVAMTMKA
PTADEVGELAGVMLSHAHPLPADTVPDDAVDVVGTGGDGVNTVNLSTMAA
IVVAAAGVPVVKHGNRASGGADTLEALGVRIDLGPDLVARSLAEVGIGFC
FAPRFHPSYRHAAAVRAEIGVPTVFNLLGPLTNPARPRAGLIGCAFADLA
EVMAGVFAARRSSVLVVHGDDGLDELTTTTTSTIWRVAAGSVDKLTFDPA
GFGFARAQLDQLAGGDAQANAAAVRAVLGGARGPVRDAVVLNAAGAIVAH
AGLSSRAEWLPAWEEGLRRASAAIDTGAAEQLLARWVRFGRQI
Ligand information
Ligand IDBE2
InChIInChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKeyRWZYAGGXGHYGMB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ccccc1C(O)=O
ACDLabs 10.04O=C(O)c1ccccc1N
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)O)N
FormulaC7 H7 N O2
Name2-AMINOBENZOIC ACID
ChEMBLCHEMBL14173
DrugBankDB04166
ZINCZINC000000047985
PDB chain4x5e Chain B Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4x5e Structures of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Variants Reveal the Conformational Changes That Facilitate Delivery of the Substrate to the Active Site.
Resolution1.77 Å
Binding residue
(original residue number in PDB)		P180 H183 Y186 R187 A190
Binding residue
(residue number reindexed from 1)		P153 H156 Y159 R160 A163
Annotation score5
Binding affinityMOAD: Ki=89uM
Enzymatic activity
Catalytic site (original residue number in PDB) V106
Catalytic site (residue number reindexed from 1) V83
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:4x5e, PDBe:4x5e, PDBj:4x5e
PDBsum4x5e
PubMed26356348
UniProtP9WFX5|TRPD_MYCTU Anthranilate phosphoribosyltransferase (Gene Name=trpD)

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