Structure of PDB 5c1r Chain B Binding Site BS03

Receptor Information
>5c1r Chain B (length=346) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPSWPQILGRLTDNRDLARGQAAWAMDQIMTGNARPAQIAAFAVAMTMKA
PTADEVGELAGVMLSHAHPLPADTVPDDAVDVVGTGGDGVNTVNLSTMAA
IVVAAAGVPVVKHGNRAASSLSGGADTLEALGVRIDLGPDLVARSLAEVG
IGFCFAPRFHPSYRHAAAVRREIGVPTVFNLLGPLTNPARPRAGLIGCAF
ADLAEVMAGVFAARRSSVLVVHGDDGLDELTTTTTSTIWRVAAGSVDKLT
FDPAGFGFARAQLDQLAGGDAQANAAAVRAVLGGARGPVRDAVVLNAAGA
IVAHAGLSRAEWLPAWEEGLRRASAAIDTGAAEQLLARWVRFGRQI
Ligand information
Ligand ID51N
InChIInChI=1S/C5H13O14P3/c6-3-2(1-16-22(14,15)19-21(11,12)13)17-5(4(3)7)18-20(8,9)10/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1
InChIKeyFPVTZUUYHCKWRL-TXICZTDVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2C(C1C(C(C(O1)OP(=O)(O)O)O)O)OP(=O)(O)OP(=O)(O)O
CACTVS 3.385O[C@H]1[C@@H](O)[C@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)O[P](O)(O)=O
OpenEye OEToolkits 1.9.2C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O)O)O)OP(=O)(O)OP(=O)(O)O
ACDLabs 12.01C1(OP(O)(O)=O)OC(C(C1O)O)COP(OP(O)(O)=O)(=O)O
CACTVS 3.385O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)O[P](O)(O)=O
FormulaC5 H13 O14 P3
Name5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-1-O-phosphono-alpha-D-ribofuranose;
1'-ALPHA-PHOSPHORIBOSYL-5'-PYROPHOSPHORIC ACID;
5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-1-O-phosphono-alpha-D-ribose;
5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-1-O-phosphono-D-ribose;
5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-1-O-phosphono-ribose
ChEMBL
DrugBank
ZINCZINC000584905122
PDB chain5c1r Chain B Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5c1r Binding and mimicking of the phosphate-rich substrate, PRPP.
Resolution1.802 Å
Binding residue
(original residue number in PDB)		V106 G107 G109 G110 N117 S119 T120 K135 R139 A141 S142 S143
Binding residue
(residue number reindexed from 1)		V83 G84 G86 G87 N94 S96 T97 K112 R116 A118 S119 S120
Annotation score4
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:5c1r, PDBe:5c1r, PDBj:5c1r
PDBsum5c1r
PubMed
UniProtP9WFX5|TRPD_MYCTU Anthranilate phosphoribosyltransferase (Gene Name=trpD)

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