Structure of PDB 5dds Chain A Binding Site BS01

Receptor Information
>5dds Chain A (length=514) Species: 1074250 (Actinoalloteichus sp. WH1-2216-6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEPVYADAVLNGWLTSMGLGVEYVRAEGNTVYYLDDEGREVPVLDHACGF
GSLIFGHNHPEIIAHAKAALDAGTVVHAQLSRQPRANQISRILNDIMRRE
TGRDDRYNAIFANSGAEANEICMKHAELERQERITALFAEIDAELDTARE
ALTTGTATLDTASLPLVAGDVDGVIADIHRHNDERRAERPLFLTLDGSFH
GKLVGSIQLTQNEPWRTPFTALSSPARFLPADEPELIGKIVEDERRSVLT
LSLDKDTVRVVERDFPVVAAIFVEPVRGGSGMKTVTPELAEELHRLRDTL
GCPLVVDEVQTGIGRTGAFFGSALLGIRGDYYTLAKAIGGGIVKNSVALI
RQDRFLPAMEVIHSSTFAKDGLSASIALKVLEMVEADGGRVYQRVRERGQ
RLEAMLESVRADHSDVVSAVWGTGLMLALELRDQSNATSQAIREKAAHGF
LGYVLAGFLLREHHIRVLPAGPRSGFLRFSPSLYITDEEIDRTETALRSL
FTALRDQDGDRLVL
Ligand information
Ligand IDPLP
InChIInChI=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)
InChIKeyNGVDGCNFYWLIFO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C=O)c1O
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C=O)C
FormulaC8 H10 N O6 P
NamePYRIDOXAL-5'-PHOSPHATE;
VITAMIN B6 Phosphate
ChEMBLCHEMBL82202
DrugBankDB00114
ZINCZINC000001532514
PDB chain5dds Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5dds Biochemical and Structural Insights into the Aminotransferase CrmG in Caerulomycin Biosynthesis
Resolution2.6 Å
Binding residue
(original residue number in PDB)		G120 A121 F207 D315 V317 Q318 K344
Binding residue
(residue number reindexed from 1)		G115 A116 F199 D307 V309 Q310 K336
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) V26 F207 E282 D315 Q318 K344 R486
Catalytic site (residue number reindexed from 1) V21 F199 E274 D307 Q310 K336 R478
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0042802 identical protein binding

View graph for
Molecular Function
External links
PDB RCSB:5dds, PDBe:5dds, PDBj:5dds
PDBsum5dds
PubMed26714051
UniProtH8Y6N2

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