Structure of PDB 4owo Chain A Binding Site BS03
Receptor Information
>4owo Chain A (length=348) Species:
1773
(Mycobacterium tuberculosis) [
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SVPSWPQILGRLTDNRDLARGQAAWAMDQIMTGNARPAQIAAFAVAMTMK
APTADEVGELAGVMLSHAHPLPADTVPDDAVDVVGTGGDGVNTVNLSTMA
AIVVAAAGVPVVKHGNRAASSLSGGADTLEALGVRIDLGPDLVARSLAEV
GIGFCFAPRFHPSYRHAAAVRREIGVPTVFNLLGPLTNPARPRAGLIGCA
FADLAEVMAGVFAARRSSVLVVHGDDGLDELTTTTTSTIWRVAAGSVDKL
TFDPAGFGFARAQLDQLAGGDAQANAAAVRAVLGGARGPVRDAVVLNAAG
AIVAHAGLSSRAEWLPAWEEGLRRASAAIDTGAAEQLLARWVRFGRQI
Ligand information
Ligand ID
PRP
InChI
InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1
InChIKey
PQGCEDQWHSBAJP-TXICZTDVSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C(C1C(C(C(O1)OP(=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0
C([C@@H]1[C@H]([C@H]([C@H](O1)O[P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O
CACTVS 3.341
O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P](O)(=O)O[P](O)(O)=O
ACDLabs 10.04
O=P(OC1OC(C(O)C1O)COP(=O)(O)O)(O)OP(=O)(O)O
CACTVS 3.341
O[C@H]1[C@@H](O)[C@H](O[C@@H]1CO[P](O)(O)=O)O[P@](O)(=O)O[P](O)(O)=O
Formula
C5 H13 O14 P3
Name
1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose;
ALPHA-PHOSPHORIBOSYLPYROPHOSPHORIC ACID;
1-O-pyrophosphono-5-O-phosphono-alpha-D-ribose;
1-O-pyrophosphono-5-O-phosphono-D-ribose;
1-O-pyrophosphono-5-O-phosphono-ribose
ChEMBL
DrugBank
DB01632
ZINC
ZINC000008215630
PDB chain
4owo Chain A Residue 403 [
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Receptor-Ligand Complex Structure
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PDB
4owo
Alternative substrates reveal catalytic cycle and key binding events in the reaction catalysed by anthranilate phosphoribosyltransferase from Mycobacterium tuberculosis.
Resolution
1.99 Å
Binding residue
(original residue number in PDB)
V106 G107 G109 G110 N117 S119 T120 K135 A140 A141 S142 S143 G146
Binding residue
(residue number reindexed from 1)
V84 G85 G87 G88 N95 S97 T98 K113 A118 A119 S120 S121 G124
Annotation score
5
Enzymatic activity
Catalytic site (original residue number in PDB)
V106
Catalytic site (residue number reindexed from 1)
V84
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
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:4owo
,
PDBe:4owo
,
PDBj:4owo
PDBsum
4owo
PubMed
24712732
UniProt
P9WFX5
|TRPD_MYCTU Anthranilate phosphoribosyltransferase (Gene Name=trpD)
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