Structure of PDB 6xnc Chain A Binding Site BS01

Receptor Information
>6xnc Chain A (length=267) Species: 90371 (Salmonella enterica subsp. enterica serovar Typhimurium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALELG
VPFSDPLADGPTIQNANLRAFAAGVTPAQCFEMLALIREKHPTIPIGLLM
YANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAPI
FICPPNADDDLLRQVASYGRGYTYLLSRSGVTGAENRGALPLHHLIEKLK
EYHAAPALQGFGISSPEQVSAAVRAGAAGAISGSAIVKIIEKNLASPKQM
LAELRSFVSAMKAASRA
Ligand information
Ligand ID1GP
InChIInChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m0/s1
InChIKeyAWUCVROLDVIAJX-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(COP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H](COP(=O)(O)O)O)O
ACDLabs 10.04O=P(O)(O)OCC(O)CO
CACTVS 3.341OC[CH](O)CO[P](O)(O)=O
CACTVS 3.341OC[C@H](O)CO[P](O)(O)=O
FormulaC3 H9 O6 P
NameSN-GLYCEROL-1-PHOSPHATE
ChEMBL
DrugBank
ZINCZINC000003830895
PDB chain6xnc Chain A Residue 408 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6xnc Structural Basis of the Stereochemistry of Inhibition of Tryptophan Synthase by Tryptophan and Derivatives.
Resolution2.11 Å
Binding residue
(original residue number in PDB)		F22 L100 Y175 T183 G184 F212 G213 G234 S235
Binding residue
(residue number reindexed from 1)		F21 L99 Y174 T182 G183 F211 G212 G233 S234
Annotation score2
Enzymatic activity
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:6xnc, PDBe:6xnc, PDBj:6xnc
PDBsum6xnc
PubMed33428374
UniProtP00929|TRPA_SALTY Tryptophan synthase alpha chain (Gene Name=trpA)

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