Structure of PDB 1a5b Chain A Binding Site BS01

Receptor Information
>1a5b Chain A (length=249) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MERYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALEL
GVPFSDPLANGPTIQNANLRAFAAGVTPAQCFEMLALIREKHPTIPIGLL
MYANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAP
IFICPPNADDDLLRQVASYGRGYTYLLIEKLKEYHAAPALQGFGISSPEQ
VSAAVRAGAAGAISGSAIVKIIEKNLASPKQMLAELRSFVSAMKAASRA
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 chain1a5b Chain A Residue 271 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1a5b Cryo-crystallography of a true substrate, indole-3-glycerol phosphate, bound to a mutant (alphaD60N) tryptophan synthase alpha2beta2 complex reveals the correct orientation of active site alphaGlu49.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E49 A59 N60 L100 Y175 G213 G234 S235
Binding residue
(residue number reindexed from 1)		E49 A59 N60 L100 Y175 G194 G215 S216
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) E49 N60 Y175
Catalytic site (residue number reindexed from 1) E49 N60 Y175
Enzyme Commision number 4.2.1.20: tryptophan synthase.
Gene Ontology
Molecular Function
GO:0004834 tryptophan synthase activity
GO:0005515 protein binding
GO:0016829 lyase activity
Biological Process
GO:0000162 tryptophan biosynthetic process
GO:0006568 tryptophan metabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1a5b, PDBe:1a5b, PDBj:1a5b
PDBsum1a5b
PubMed9535826
UniProtP00929|TRPA_SALTY Tryptophan synthase alpha chain (Gene Name=trpA)

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