Structure of PDB 6y88 Chain D Binding Site BS01

Receptor Information
>6y88 Chain D (length=265) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PTVLQKILARKAEEVAERRARVNLAEVERLARSADAPRGFANALLERAKR
KEPAVIAEIKKASPSKGVLREHFVPAEIARSYEAGGAACLSVLTDVDFFQ
GADAYLKEARAACALPVIRKDFMIDPYQIVEARAIGADCILLIVSALDDV
LMAELAATAKSVGLDVLVEVHDGTELERALKTLDTPLVGINNRNLHTFEV
SLETTLDLLPEIPRDRLVVTESGILNRADVELMEVSEVYAFLVGEAFMRA
DDPGLELKRLFFQER
Ligand information
Ligand ID137
InChIInChI=1S/C12H18NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-4,9-11,13-16H,5-6H2,(H,17,18)(H2,19,20,21)/t9-,10-,11+/m1/s1
InChIKeyAULMJMUNCOBRHC-MXWKQRLJSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(O)CNc1ccccc1C(=O)O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)O)NC[C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
CACTVS 3.341O[C@H](CNc1ccccc1C(O)=O)[C@H](O)[C@H](O)CO[P](O)(O)=O
CACTVS 3.341O[CH](CNc1ccccc1C(O)=O)[CH](O)[CH](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0c1ccc(c(c1)C(=O)O)NCC(C(C(COP(=O)(O)O)O)O)O
FormulaC12 H18 N O9 P
Name1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY-D-RIBULOSE-5-PHOSPHATE
ChEMBL
DrugBankDB03543
ZINCZINC000002047810
PDB chain6y88 Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6y88 Structure and kinetics of indole-3-glycerol phosphate synthase from Pseudomonas aeruginosa : Decarboxylation is not essential for indole formation.
Resolution2.09983 Å
Binding residue
(original residue number in PDB)		E61 K63 P67 S68 F102 K123 L198 E224 S225 L245 G247 E248
Binding residue
(residue number reindexed from 1)		E58 K60 P64 S65 F99 K120 L195 E221 S222 L242 G244 E245
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) E61 K63 K123 E172 N194 E224 S225
Catalytic site (residue number reindexed from 1) E58 K60 K120 E169 N191 E221 S222
Enzyme Commision number 4.1.1.48: indole-3-glycerol-phosphate synthase.
Gene Ontology
Molecular Function
GO:0004425 indole-3-glycerol-phosphate synthase activity
GO:0004640 phosphoribosylanthranilate isomerase activity
GO:0016830 carbon-carbon lyase activity
GO:0016831 carboxy-lyase activity
Biological Process
GO:0000162 tryptophan biosynthetic process
GO:0006568 tryptophan metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6y88, PDBe:6y88, PDBj:6y88
PDBsum6y88
PubMed32928960
UniProtP20577|TRPC_PSEAE Indole-3-glycerol phosphate synthase (Gene Name=trpC)

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