Structure of PDB 1wst Chain A Binding Site BS01

Receptor Information

>1wst Chain A (length=403) Species: 49899 (Thermococcus profundus)

INFDSFFSEKAMLMKASEVRELLKLVETSDVISLAGGLPAPETFPVETIK
KIAVEVLEEHADKALQYGTTKGFTPLRLALARWMEKRYDIPMSKVEIMTV
AGSQQALDLIGRVFLNPGDPIVVEAPTYLAAIQAFKYYDPEFISIPLDDK
GMRVDLLEEKLEELRKQGKRVKIVYTVSTFQNPAGVTMSVDRRKKLLELA
NEYDFLIVEDGPYSELRYSGEPTPPIKHFDDYGRVIYLGTFSKILAPGFR
IGWVAAHPHLIRKMEIAKQSIDLCTNTFGQAIAWKYVENGYLDEHIPKII
EFYKPRRDAMLEALEEYMPEGVEWTKPEGGMFVRVTLPEGIDTKLMMERA
VAKGVAYVPGEAFFVHRDKKNTMRLNFTYVPEETIREGVRRLAETIKEEM
KRV

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: 1wst Chain A Residue 418

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1wst Crystal structure of multiple substrate aminotransferase (MsAT) from Thermococcus profundus
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): G114 S115 Q116 Y140 V189 N194 D222 P224 Y225 T252 S254 K255 R262
• Binding residue (residue number reindexed from 1): G102 S103 Q104 Y128 V177 N182 D210 P212 Y213 T240 S242 K243 R250
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 2.6.1.-

Gene Ontology

Molecular Function

• GO:0008483 transaminase activity
• GO:0030170 pyridoxal phosphate binding

Biological Process

• GO:0009058 biosynthetic process
• GO:1901605 alpha-amino acid metabolic process

External links

• PDB: RCSB:1wst, PDBe:1wst, PDBj:1wst
• PDBsum: 1wst
• UniProt: Q9V2W5