Structure of PDB 7ety Chain A Binding Site BS01

Receptor Information
>7ety Chain A (length=470) Species: 196627 (Corynebacterium glutamicum ATCC 13032) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPTVLESIVEGRRGHLEEIRARIAHVDVDALPKSTRSLFDSLNQGRGGAR
FIMECKSASPSLGMIREHYQPGEIARVYSRYASGISVLCEPDRFGGDYDH
LATVAATSHLPVLCKDFIIDPVQVHAARYFGADAILLMLSVLDDEEYAAL
AAEAARFDLDILTEVIDEEEVARAIKLGAKIFGVNHRNLHDLSIDLDRSR
RLSKLIPADAVLVSESGVRDTETVRQLGGHSNAFLVGSQLTSQENVDLAA
RELVYGPNKVCGLTSPSAAQTARAAGAVYGGLIFEEASPRNVSRETLQKI
IAAEPNLRYVAVSRRTSGYKDLLVDGIFAVQIHAPLQDSVEAEKALIAAV
REEVGPQVQVWRAISMSSPLGAEVAAAVEGDVDKLILDAHEGGSGEVFDW
ATVPAAVKAKSLLAGGISPDNAAQALAVGCAGLDINSGVEYPAGAGTWAG
AKDAGALLKIFATISTFHYL
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 chain7ety Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ety Crystal Structure and Functional Characterization of the Bifunctional N -(5'-Phosphoribosyl)anthranilate Isomerase-indole-3-glycerol-phosphate Synthase from Corynebacterium glutamicum
Resolution2.21 Å
Binding residue
(original residue number in PDB)		C266 I288 S293 R295 R319 H338 D393 G397 G398 G400 G421 D439 N441 S442
Binding residue
(residue number reindexed from 1)		C261 I283 S288 R290 R314 H333 D388 G392 G393 G395 G416 D434 N436 S437
Annotation score3
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7ety, PDBe:7ety, PDBj:7ety
PDBsum7ety
PubMed34657425
UniProtP06560|TRPC_CORGL Tryptophan biosynthesis protein TrpCF (Gene Name=trpC)

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