Structure of PDB 5dds Chain C Binding Site BS01

Receptor Information

>5dds Chain C (length=510) Species: 1074250 (Actinoalloteichus sp. WH1-2216-6)

EPVYADAVLNGWLTSMGLGVEYVRAEGNTVYYLDDEGREVPVLDHACGFG
SLIFGHNHPEIIAHAKAALDAGTVVHAQLSRQPRANQISRILNDIMRRET
GRDDRYNAIFANSGAEANEICMKHAELERQERITALFAEIDAELDTAREA
LTTGTATLDTASLPLVVDGVIADIHRHNDERRAERPLFLTLDGSFHGKLV
GSIQLTQNEPWRTPFTALSSPARFLPADEPELIGKIVEDERRSVLTLSLD
KDTVRVVERDFPVVAAIFVEPVRGGSGMKTVTPELAEELHRLRDTLGCPL
VVDEVQTGIGRTGAFFGSALLGIRGDYYTLAKAIGGGIVKNSVALIRQDR
FLPAMEVIHSSTFAKDGLSASIALKVLEMVEADGGRVYQRVRERGQRLEA
MLESVRADHSDVVSAVWGTGLMLALELRDQSNATSQAIREKAAHGFLGYV
LAGFLLREHHIRVLPAGPRSGFLRFSPSLYITDEEIDRTETALRSLFTAL
RDQDGDRLVL

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: 5dds Chain C Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5dds Biochemical and Structural Insights into the Aminotransferase CrmG in Caerulomycin Biosynthesis
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): G120 A121 F207 D315 V317 Q318 K344
• Binding residue (residue number reindexed from 1): G114 A115 F195 D303 V305 Q306 K332
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): V26 F207 E282 D315 Q318 K344 R486
• Catalytic site (residue number reindexed from 1): V20 F195 E270 D303 Q306 K332 R474

Gene Ontology

Molecular Function

• GO:0008483 transaminase activity
• GO:0030170 pyridoxal phosphate binding
• GO:0042802 identical protein binding

External links

• PDB: RCSB:5dds, PDBe:5dds, PDBj:5dds
• PDBsum: 5dds
• PubMed: 26714051
• UniProt: H8Y6N2