Structure of PDB 7ety Chain B Binding Site BS03

Receptor Information
>7ety Chain B (length=461) Species: 196627 (Corynebacterium glutamicum ATCC 13032) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLPTVLESIVEGRRGHLEEIRARIAHVDVDALPKSTRSLFDSLNQGRGGA
RFIMECKSASPSLGMIREHYQPGEIARVYSRYASGISVLCEPDRFGGDYD
HLATVAATSHLPVLCKDFIIDPVQVHAARYFGADAILLMLSVLDDEEYAA
LAAEAARFDLDILTEVIDEEEVARAIKLGAKIFGVNHRNLHDLSIDLDRS
RRLSKLIPADAVLVSESGVRDTETVRQLGGHSNAFLVGSQLTSQENVDLA
ARELVYGPNKVCGLTSPSAAQTARAAGAVYGGLIFEEASPRNVSRETLQK
IIAAEPNLRYVAVSRRTSGYKDLLVDGIFAVQIHAPLQDSVEAEKALIAA
VREEVGPQVQVWRAISMSSPLGAEVAAAVEGDVDKLILDDWATVPAAVKA
KSLLAGGISPDNAAQALAVGCAGLDINSGVEYPAGAGTWAGAKDAGALLK
IFATISTFHYL
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 B Residue 503 [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)		I13 E59 K61 S64 S66 F99 K120 L194 S221 R224 L240 V241 G242 S243
Binding residue
(residue number reindexed from 1)		I9 E55 K57 S60 S62 F95 K116 L190 S217 R220 L236 V237 G238 S239
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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