Structure of PDB 1k7f Chain B Binding Site BS01

Receptor Information

>1k7f Chain B (length=380)

TTLLNPYFGEFGGMYVPQILMPALNQLEEAFVSAQKDPEFQAQFADLLKN
YAGRPTALTKCQNITAGTRTTLYLKREDLLHGGAHKTNQVLGQALLAKRM
GKSEIIAETGAGQHGVASALASALLGLKCRIYMGAKDVERQSPNVFRMRL
MGAEVIPVHSGSATLKDACNEALRDWSGSYETAHYMLGTAAGPHPYPTIV
REFQRMIGEETKAQILDKEGRLPDAVIACVGGGSNAIGMFADFINDTSVG
LIGVEPGGHRVGIYFGMKAPMMQTADGQIEESYSISAGLDFPSVGPQHAY
LNSIGRADYVSITDDEALEAFKTLCRHEGIIPALESSHALAHALKMMREQ
PEKEQLLVVNLSGRGDKDIFTVHDILKARG

Ligand information

• Ligand ID: PLP
• InChI: InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
• InChIKey: NGVDGCNFYWLIFO-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
  OpenEye OEToolkits 1.5.0: Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
  ACDLabs 10.04: O=P(O)(O)OCc1cnc(c(O)c1C=O)C
• Formula: C8 H10 N O6 P
• Name: PYRIDOXAL-5'-PHOSPHATE;
  VITAMIN B6 Phosphate
• ChEMBL: CHEMBL82202
• DrugBank: DB00114
• ZINC: ZINC000001532514
• PDB chain: 1k7f Chain B Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1k7f Crystal structures of a new class of allosteric effectors complexed to tryptophan synthase.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): H86 K87 T190 G232 G234 S235 N236 E350 S377 G378
• Binding residue (residue number reindexed from 1): H85 K86 T189 G231 G233 S234 N235 E335 S362 G363
• Annotation score: 1

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
• GO:0042802 identical protein binding

Biological Process

• GO:0000162 tryptophan biosynthetic process
• GO:0006568 tryptophan metabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:1k7f, PDBe:1k7f, PDBj:1k7f
• PDBsum: 1k7f
• PubMed: 11756456
• UniProt: P0A2K1|TRPB_SALTY Tryptophan synthase beta chain (Gene Name=trpB)