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Structure of PDB 4n8q Chain B Binding Site BS01

Receptor Information >4n8q Chain B (length=345) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] VPSWPQILGRLTDNRDLARGQAAWAMDQIMTGNARPAQIAAFAVAMTMKA PTADEVGELAGVMLSHAHPLPADTVPDDAVDVVGTGGTVNLSTMAAIVVA AAGVPVVKHGNRAASSLSGGADTLEALGVRIDLGPDLVARSLAEVGIGFC FAPRFHPSYRHAAAVRREIGVPTVFNLLGPLTNPARPRAGLIGCAFADLA EVMAGVFAARRSSVLVVHGDDGLDELTTTTTSTIWRVAAGSVDKLTFDPA GFGFARAQLDQLAGGDAQANAAAVRAVLGGARGPVRDAVVLNAAGAIVAH AGLSSRAEWLPAWEEGLRRASAAIDTGAAEQLLARWVRFGRQILA

Ligand information Ligand ID FA0 InChI InChI=1S/C7H6FNO2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,9H2,(H,10,11) InChIKey LGPVTNAJFDUWLF-UHFFFAOYSA-N SMILES Software SMILES OpenEye OEToolkits 1.7.6 c1cc(c(cc1F)N)C(=O)O ACDLabs 12.01 O=C(O)c1ccc(F)cc1N CACTVS 3.385 Nc1cc(F)ccc1C(O)=O Formula C7 H6 F N O2 Name 2-amino-4-fluorobenzoic acid ChEMBL DrugBank ZINC ZINC000000389796 PDB chain 4n8q Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure summary [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] [Spin on] [Spin off] [Reset] [High quality] [Low quality] [White background] [Black background] PDB 4n8q Alternative substrates reveal catalytic cycle and key binding events in the reaction catalysed by anthranilate phosphoribosyltransferase from Mycobacterium tuberculosis. Resolution 2.08 Å Binding residue (original residue number in PDB) N138 S143 A179 P180 H183 Y186 R187 A190 Binding residue (residue number reindexed from 1) N111 S116 A152 P153 H156 Y159 R160 A163 Annotation score 2 Binding affinity MOAD: Ki=380uM

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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