Structure of PDB 7etx Chain A Binding Site BS02

Receptor Information
>7etx Chain A (length=472) Species: 196627 (Corynebacterium glutamicum ATCC 13032) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NNLPTVLESIVEGRRGHLEEIRARIAHVDVDALPKSTRSLFDSLNQGRGG
ARFIMECKSASPSLGMIREHYQPGEIARVYSRYASGISVLCEPDRFGGDY
DHLATVAATSHLPVLCKDFIIDPVQVHAARYFGADAILLMLSVLDDEEYA
ALAAEAARFDLDILTEVIDEEEVARAIKLGAKIFGVNHRNLHDLSIDLDR
SRRLSKLIPADAVLVSESGVRDTETVRQLGGHSNAFLVGSQLTSQENVDL
AARELVYGPNKVCGLTSPSAAQTARAAGAVYGGLIFEEASPRNVSRETLQ
KIIAAEPNLRYVAVSRRTSGYKDLLVDGIFAVQIHAPLQDSVEAEKALIA
AVREEVGPQVQVWRAISMSSPLGAEVAAAVEGDVDKLILDAHEGGSGEVF
DWATVPAAVKAKSLLAGGISPDNAAQALAVGCAGLDINSGVEYPAGAGTW
AGAKDAGALLKIFATISTFHYL
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain7etx Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7etx Crystal Structure and Functional Characterization of the Bifunctional N -(5'-Phosphoribosyl)anthranilate Isomerase-indole-3-glycerol-phosphate Synthase from Corynebacterium glutamicum
Resolution2.1 Å
Binding residue
(original residue number in PDB)		A339 L341 R367 A368 S370
Binding residue
(residue number reindexed from 1)		A336 L338 R364 A365 S367
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.48: indole-3-glycerol-phosphate synthase.
5.3.1.24: phosphoribosylanthranilate isomerase.
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
GO:0016853 isomerase activity
Biological Process
GO:0000162 tryptophan biosynthetic process
GO:0006568 tryptophan metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:7etx, PDBe:7etx, PDBj:7etx
PDBsum7etx
PubMed34657425
UniProtP06560|TRPC_CORGL Tryptophan biosynthesis protein TrpCF (Gene Name=trpC)

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