Structure of PDB 6vfd Chain A Binding Site BS01

Receptor Information

>6vfd Chain A (length=253) Species: 90371 (Salmonella enterica subsp. enterica serovar Typhimurium)

MERYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALEL
GVPFSDPLADGPTIQNANLRAFAAGVTPAQCFEMLALIREKHPTIPIGLL
MYANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAP
IFICPPNADDDLLRQVASYGRGYTYLLLHHLIEKLKEYHAAPALQGFGIS
SPEQVSAAVRAGAAGAISGSAIVKIIEKNLASPKQMLAELRSFVSAMKAA
SRA

Ligand information

• Ligand ID: SER
• InChI: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
• InChIKey: MTCFGRXMJLQNBG-REOHCLBHSA-N
• SMILES:
  CACTVS 3.341: N[CH](CO)C(O)=O
  OpenEye OEToolkits 1.5.0: C(C(C(=O)O)N)O
  CACTVS 3.341: N[C@@H](CO)C(O)=O
  ACDLabs 10.04: O=C(O)C(N)CO
  OpenEye OEToolkits 1.5.0: C([C@@H](C(=O)O)N)O
• Formula: C3 H7 N O3
• Name: SERINE
• ChEMBL: CHEMBL11298
• DrugBank: DB00133
• ZINC: ZINC000000895034
• PDB chain: 6vfd Chain A Residue 303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6vfd Tryptophan synthase mutant Q114A in complex with cesium ion at the metal coordination site and 2-aminophenol quinonoid at the enzyme beta site.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): F82 F114 R117
• Binding residue (residue number reindexed from 1): F82 F114 R117
• Annotation score: 5

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

External links

• PDB: RCSB:6vfd, PDBe:6vfd, PDBj:6vfd
• PDBsum: 6vfd
• UniProt: P00929|TRPA_SALTY Tryptophan synthase alpha chain (Gene Name=trpA)