Structure of PDB 6kfr Chain B Binding Site BS02

Receptor Information
>6kfr Chain B (length=449) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YTPQQRQYLESFIEKYVDKTKGSKQYTDETRFAHANNRNLSSFRSYWKEM
VYPIIAERSDGSRMWDIDGNEYIDITMGFGVNLFGHHPSFITQTVVDSTH
SALPPLGPMSNVAGEVADRIRACTGVERVAFYNSGTEAVMVALRLARAAT
GRTKVVVFAGSYHGTFDGVLGVANTKGGAEPANPLAPGIPQSFMNDLIIL
HYNHPDSLDVIRNLGNELAAVLVEPVQSRRPDLQPESFLKELRAITQQSG
TALIMDEIITGFRIGLGGAQEWFDIQADLVTYGKIIGGGQPLGIVAGKAE
FMNTIDGGTWQYGDDSYPTDEAKRTFVAGTFNTHPLTMRMSLAVLRYLQA
EGETLYERLNQKTTYLVDQLNSYFEQSQVPIRMVQFGSLFRFVSSVDNDL
FFYHLNYKGVYVWEGRNCFLSTAHTSDDIAYIIQAVQETVKDLRRGGFI
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 chain6kfr Chain B Residue 501 [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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PDB6kfr Structure Insights into the Molecular Mechanism of Two Tailoring Domains of Hybrid Polyketide/Non-Ribosomal Peptide Synthetase
Resolution3.1 Å
Binding residue
(original residue number in PDB)		G141 T142 Y168 H169 G170 D262 I264 I265 K290
Binding residue
(residue number reindexed from 1)		G135 T136 Y162 H163 G164 D256 I258 I259 K284
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) R44 Y168 D262 K290
Catalytic site (residue number reindexed from 1) R38 Y162 D256 K284
Enzyme Commision number 2.3.1.-
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding

View graph for
Molecular Function
External links
PDB RCSB:6kfr, PDBe:6kfr, PDBj:6kfr
PDBsum6kfr
PubMed
UniProtQ9R9J1|MYCA_BACIU Mycosubtilin synthase subunit A (Gene Name=mycA)

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