Structure of PDB 7kz6 Chain D Binding Site BS01

Receptor Information

>7kz6 Chain D (length=439) Species: 1396 (Bacillus cereus)

TLTTISGHSKDNLALLKCLQGETKEKEFEISNVLPNHKMKEKLFRENKLK
IDIDIEKDIFNYSRKNIQKIEFMPVNRLISQSEIDGIIGTLKEVLPTGQF
TSGPFSKKLEEVIGDYLNKKYVIATSSGTDALMVSLLSIGIQPGDEVIMP
ANSFAATENAVLAIGAKPVFVDIDHKSYCIDPLKIEEAITQKTKCILPVH
LYGKQCDMKRIREIADVYQLRIIEDACQAIGSSNLGEYGDIIILSFNPYK
NFGVCGKAGAIVTNNENLAIRCNQYSYHGFEVDKKNKKVLDFGFNSKIDN
LQAAIGLERIKFLSYNNLKRVFLAQRYIRNLKELEDRELIKLPRMTEDNV
WHLFPIRIINGRRDEVKNKLYQLYNIETDIYYPVLSHKHNTKLVKKNYMQ
DTLLNTEQVHKEILHLPLHPNMLLEEQNFVLEGLINVNK

Ligand information

• Ligand ID: PMP
• InChI: InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)
• InChIKey: ZMJGSOSNSPKHNH-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04: O=P(O)(O)OCc1cnc(c(O)c1CN)C
  OpenEye OEToolkits 1.5.0: Cc1c(c(c(cn1)COP(=O)(O)O)CN)O
  CACTVS 3.341: Cc1ncc(CO[P](O)(O)=O)c(CN)c1O
• Formula: C8 H13 N2 O5 P
• Name: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE;
  PYRIDOXAMINE-5'-PHOSPHATE
• ChEMBL: CHEMBL1235353
• DrugBank: DB02142
• ZINC: ZINC000001532708
• PDB chain: 7kz6 Chain D Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7kz6 Snapshots along the catalytic path of KabA, a PLP-dependent aminotransferase required for kanosamine biosynthesis in Bacillus cereus UW85.
• Resolution: 1.65 Å
• Binding residue (original residue number in PDB): G132 T133 F158 A160 D229 C231 Q232 S249 K254
• Binding residue (residue number reindexed from 1): G128 T129 F154 A156 D225 C227 Q228 S245 K250
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.6.1.1: aspartate transaminase.

Gene Ontology

Molecular Function

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

Biological Process

• GO:0000271 polysaccharide biosynthetic process

External links

• PDB: RCSB:7kz6, PDBe:7kz6, PDBj:7kz6
• PDBsum: 7kz6
• PubMed: 33984505
• UniProt: C0JRF5