Structure of PDB 7lle Chain A Binding Site BS01

Receptor Information

>7lle Chain A (length=446) Species: 1877 (Micromonospora echinospora)

HMNYRELIERARRTTAAEEYDISGRYPSVIAHAEGAWMTDLSGNRYVDLT
GADAAVILGYRHPAVNEAITRQIRDYGTTFASTLSVPRVELAERMCERYE
CAEKVVFHKTGTEGTAMAVRLARAATGRELVLSSGYHGWHEWQMAGEEFG
YQQSTGVVGFGYNEKALAKMLEAFGEQVAGVIVSPEVLYFDLDHYRRMSA
LCARYDVPFMLDEVYTGFRAGPKGVHGLGVPADVVVLGKGLANGHSLAAV
MGRRDIIDAYDVSGIQGTYTREVPPMAAALAVFEVLDTPGVYEHAEAMGR
RLADGMREILTGEGIPNWVGGPALMFDVVLPNDDLGWEIYKTAHDFGVYF
EDSGTQLVTAAFDEAAVDHALTAFRKATRQVVADRPDIAPTSGGELTEER
KLDFAEEAFGGLLRDDERTNALIDETIEKVVNRDRSIKPVLFPAQN

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: 7lle Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7lle Crystal structure of GenB4 in complex with external aldimine of PLP-sisomicin
• Resolution: 1.704 Å
• Binding residue (original residue number in PDB): G110 T111 Y135 H136 S183 D211 V213 K238
• Binding residue (residue number reindexed from 1): G111 T112 Y136 H137 S184 D212 V214 K239
• Annotation score: 4

Gene Ontology

Molecular Function

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

External links

• PDB: RCSB:7lle, PDBe:7lle, PDBj:7lle
• PDBsum: 7lle
• UniProt: Q6QVT7