Structure of PDB 8wkj Chain A Binding Site BS01

Receptor Information

>8wkj Chain A (length=391) Species: 446 (Legionella pneumophila)

MDIALAKRVQKVKSPTLAVAAKAAQMKAQGLDIIGLGTGEPDFDTPQHIK
LAAISAIEAGDTKYTAVDGIVELKEAVKNKFKRDNELDYQLNQILVSVGG
KQSCYNLCQAYLNPGDEVIIPAPYWVSYPDMVLLADGVPVIIETTPAQRY
KINAQQLEQAITPKTRMIFLNSPSNPSGIAYTQNELKELGDVLKKHPQIL
IATDDMYEHIIWSQPFTNILNACPELYDRTIVLNGVSKAYAMTGWRIGYA
AGPAPLINAMKTIQSQSTSNPCSIAQRAAVAALNGSNESIEEMVNAFHQR
HDYVADRLQSIDGIEVIPADGTFYIFPSVQAIIEKRGYANDIEFSEKLLN
EVGVALVPGSAFGTEGCIRISFATGIDTLKDALNRLQRFCS

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: 8wkj Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8wkj Crystal structure of an aspartate aminotransferase Lpg0070 from Legionella pneumophila.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): G100 G101 K102 W126 N172 N176 D205 Y208 S238 K239 R247
• Binding residue (residue number reindexed from 1): G99 G100 K101 W125 N171 N175 D204 Y207 S237 K238 R246
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 2.6.1.-

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0008483 transaminase activity
• GO:0030170 pyridoxal phosphate binding

Biological Process

• GO:0006520 amino acid metabolic process
• GO:0009058 biosynthetic process

External links

• PDB: RCSB:8wkj, PDBe:8wkj, PDBj:8wkj
• PDBsum: 8wkj
• PubMed: 37984176
• UniProt: A0A130QXX8