Structure of PDB 7jqw Chain A Binding Site BS01

Receptor Information
>7jqw Chain A (length=253) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MERYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALEL
GVPFSDPLADGPTIQNANLRAFAAGVTPAQCFEMLALIREKHPTIPIGLL
MYANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAP
IFICPPNADDDLLRQVASYGRGYTYLLLHHLIEKLKEYHAAPALQGFGIS
SPEQVSAAVRAGAAGAISGSAIVKIIEKNLASPKQMLAELRSFVSAMKAA
SRA
Ligand information
Ligand ID2AF
InChIInChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2
InChIKeyCDAWCLOXVUBKRW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04Oc1ccccc1N
OpenEye OEToolkits 1.5.0c1ccc(c(c1)N)O
CACTVS 3.341Nc1ccccc1O
FormulaC6 H7 N O
Name2-AMINOPHENOL
ChEMBLCHEMBL28319
DrugBankDB01726
ZINCZINC000000157526
PDB chain7jqw Chain A Residue 306 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7jqw The external aldimine crystal structure of Salmonella typhimurium Tryptophan Synthase mutant beta-S377A in complex with cesium ion at the metal coordination site. The single beta-Q114 rotamer conformation allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		N157 A158 D159 L162
Binding residue
(residue number reindexed from 1)		N157 A158 D159 L162
Annotation score1
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:7jqw, PDBe:7jqw, PDBj:7jqw
PDBsum7jqw
PubMed
UniProtP00929|TRPA_SALTY Tryptophan synthase alpha chain (Gene Name=trpA)

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