Structure of PDB 6jc9 Chain D Binding Site BS02

Receptor Information
>6jc9 Chain D (length=508) 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
ALTTGTATLDTLPLVDVDGVIADIHRHNDERRAERPLFLTLDGSFHGKLV
GSIQLTQNEPWRTPFTALSSPARFLPADEPELIGKIVEDERRSVLTLSLD
TVRVVERDFPVVAAIFVEPVRGGSGMKTVTPELAEELHRLRDTLGCPLVV
DEVQTGIGRTGAFFGSALLGIRGDYYTLAKAIGGGIVKNSVALIRQDRFL
PAMEVIHSSTFAKDGLSASIALKVLEMVEADGGRVYQRVRERGQRLEAML
ESVRADHSDVVSAVWGTGLMLALELRDQSNATSQAIREKAAHGFLGYVLA
GFLLREHHIRVLPAGPRSGFLRFSPSLYITDEEIDRTETALRSLFTALRD
QDGDRLVL
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 chain6jc9 Chain D 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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PDB6jc9 Structural studies reveal flexible roof of active site responsible for omega-transaminase CrmG overcoming by-product inhibition.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		S119 G120 A121 F207 E282 D315 V317 Q318 K344
Binding residue
(residue number reindexed from 1)		S114 G115 A116 F195 E268 D301 V303 Q304 K330
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 F195 E268 D301 Q304 K330 R472
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:6jc9, PDBe:6jc9, PDBj:6jc9
PDBsum6jc9
PubMed32814814
UniProtH8Y6N2

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