Structure of PDB 3ly1 Chain D Binding Site BS01

Receptor Information

>3ly1 Chain D (length=354) Species: 29471 (Pectobacterium atrosepticum)

GETQPESAAFTAPSTDNPIRINFNENPLGMSPKAQAAARDAVVKANRYAK
NEILMLGNKLAAHHQVEAPSILLTAGSSEGIRAAIEAYASLEAQLVIPEL
TYGDGEHFAKIAGMKVTKVKMLDNWAFDIEGLKAAVAAYSGPSIVYLVNP
NNPTGTITPADVIEPWIASKPANTMFIVDEAYAEFVNDPRFRSISPMITQ
GAENIILLKTFSKIHAMAGMRVGYAVAHPTVIALMGRYVAGEKINFSGVD
AALASMNDSAFITYSKKSNDVSRQILLKALEDLKLPYLPSEGNFVFHQLV
VPLKDYQTHMADAGVLIGRAFPPADNWCRISLGTPQEMQWVADTMREFRK
KSWI

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: 3ly1 Chain D Residue 500

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ly1 Crystal structure of Putative histidinol-phosphate aminotransferase (YP_050345.1) from Erwinia carotovora atroseptica SCRI1043 at 1.80 A resolution
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): G116 S117 S118 Y142 D219 Y222 T250 S252 K253 R261
• Binding residue (residue number reindexed from 1): G76 S77 S78 Y102 D179 Y182 T210 S212 K213 R221
• Annotation score: 4

Gene Ontology

Molecular Function

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

Biological Process

• GO:0009058 biosynthetic process

External links

• PDB: RCSB:3ly1, PDBe:3ly1, PDBj:3ly1
• PDBsum: 3ly1
• UniProt: Q6D4Z0