Structure of PDB 1a53 Chain A Binding Site BS01

Receptor Information
>1a53 Chain A (length=247) Species: 2287 (Saccharolobus solfataricus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRYLKGWLKDVVQLSLRRPSFRASRQRPIISLNERILEFNKRNITAIIAE
YKRKSPSGLDVERDPIEYSKFMERYAVGLSILTEEKYFNGSYETLRKIAS
SVSIPILMKDFIVKESQIDDAYNLGADTVLLIVKILTERELESLLEYARS
YGMEPLIEINDENDLDIALRIGARFIGINSRDLETLEINKENQRKLISMI
PSNVVKVAESGISERNEIEELRKLGVNAFLIGSSLMRNPEKIKEFIL
Ligand information
Ligand IDIGP
InChIInChI=1S/C11H14NO6P/c13-10(6-18-19(15,16)17)11(14)8-5-12-9-4-2-1-3-7(8)9/h1-5,10-14H,6H2,(H2,15,16,17)/t10-,11+/m1/s1
InChIKeyNQEQTYPJSIEPHW-MNOVXSKESA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C(C(COP(=O)(O)O)O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH](O)c1c[nH]c2ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)[C@@H]([C@@H](COP(=O)(O)O)O)O
CACTVS 3.341O[C@H](CO[P](O)(O)=O)[C@@H](O)c1c[nH]c2ccccc12
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)c2c1ccccc1nc2
FormulaC11 H14 N O6 P
NameINDOLE-3-GLYCEROL PHOSPHATE
ChEMBL
DrugBankDB04143
ZINC
PDB chain1a53 Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1a53 The catalytic mechanism of indole-3-glycerol phosphate synthase: crystal structures of complexes of the enzyme from Sulfolobus solfataricus with substrate analogue, substrate, and product.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E51 K53 F89 K110 E159 N180 E210 S211 G212 G233 S234
Binding residue
(residue number reindexed from 1)		E50 K52 F88 K109 E158 N179 E209 S210 G211 G232 S233
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) E51 K53 K110 E159 N180 E210 S211
Catalytic site (residue number reindexed from 1) E50 K52 K109 E158 N179 E209 S210
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:1a53, PDBe:1a53, PDBj:1a53
PDBsum1a53
PubMed12054868
UniProtQ06121|TRPC_SACS2 Indole-3-glycerol phosphate synthase (Gene Name=trpC)

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