Structure of PDB 5ddu Chain A Binding Site BS01

Receptor Information
>5ddu Chain A (length=513) Species: 1074250 (Actinoalloteichus sp. WH1-2216-6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGEPVYADAVLNGWLTSMGLGVEYVRAEGNTVYYLDDEGREVPVLDHACG
FGSLIFGHNHPEIIAHAKAALDAGTVVHAQLSRQPRANQISRILNDIMRR
ETGRDDRYNAIFANSGAEANEICMKHAELERQERITALFAEIDAELDTAR
EALTTGTATLDTASLPLVDVDGVIADIHRHNDERRAERPLFLTLDGSFHG
KLVGSIQLTQNEPWRTPFTALSSPARFLPADEPELIGKIVEDERRSVLTL
SLDKDTVRVVERDFPVVAAIFVEPVRGGSGMKTVTPELAEELHRLRDTLG
CPLVVDEVQTGIGRTGAFFGSALLGIRGDYYTLAKAIGGGIVKNSVALIR
QDRFLPAMEVIHSSTFAKDGLSASIALKVLEMVEADGGRVYQRVRERGQR
LEAMLESVRADHSDVVSAVWGTGLMLALELRDQSNATSQAIREKAAHGFL
GYVLAGFLLREHHIRVLPAGPRSGFLRFSPSLYITDEEIDRTETALRSLF
TALRDQDGDRLVL
Ligand information
Ligand IDPMP
InChIInChI=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)
InChIKeyZMJGSOSNSPKHNH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1CN)C
OpenEye OEToolkits 1.5.0Cc1c(c(c(cn1)COP(=O)(O)O)CN)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(CN)c1O
FormulaC8 H13 N2 O5 P
Name4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE;
PYRIDOXAMINE-5'-PHOSPHATE
ChEMBLCHEMBL1235353
DrugBankDB02142
ZINCZINC000001532708
PDB chain5ddu 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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PDB5ddu Biochemical and Structural Insights into the Aminotransferase CrmG in Caerulomycin Biosynthesis
Resolution2.46 Å
Binding residue
(original residue number in PDB)		S119 G120 A121 F207 H208 D315 V317 Q318 K344
Binding residue
(residue number reindexed from 1)		S115 G116 A117 F198 H199 D306 V308 Q309 K335
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) V22 F198 E273 D306 Q309 K335 R477
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:5ddu, PDBe:5ddu, PDBj:5ddu
PDBsum5ddu
PubMed26714051
UniProtH8Y6N2

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