Structure of PDB 6kfu Chain A Binding Site BS01

Receptor Information
>6kfu Chain A (length=527) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NHTKTHIESFLKTVISNASGIRADEIDSNAHFIGFGLDSIMLTQVKKAIA
DEFNVDIPMERFFDTMNNIESVVDYLAEYTPQQRQYLESFIEKYVDKTKG
SKQYTDETRFAHANNRNLSSFRSYWKEMVYPIIAERSDGSRMWDIDGNEY
IDITMGFGVNLFGHHPSFITQTVVDSTHSALPPLGPMSNVAGEVADRIRA
CTGVERVAFYNSGTEAVMVALRLARAATGRTKVVVFAGSYHGTFDGVLGV
ANTKGGAEPANPLAPGIPQSFMNDLIILHYNHPDSLDVIRNLGNELAAVL
VEPVQSRRPDLQPESFLKELRAITQQSGTALIMDEIITGFRIGLGGAQEW
FDIQADLVTYGKIIGGGQPLGIVAGKAEFMNTIDGGTWQYGDDSYPTDEA
KRTFVAGTFNTHPLTMRMSLAVLRYLQAEGETLYERLNQKTTYLVDQLNS
YFEQSQVPIRMVQFGSLFRFVSSVDNDLFFYHLNYKGVYVWEGRNCFLST
AHTSDDIAYIIQAVQETVKDLRRGGFI
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 chain6kfu 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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PDB6kfu Structure Insights into the Molecular Mechanism of Two Tailoring Domains of Hybrid Polyketide/Non-Ribosomal Peptide Synthetase
Resolution2.2 Å
Binding residue
(original residue number in PDB)		G232 T233 Y259 H260 G261 E321 D353 I355 I356 K381
Binding residue
(residue number reindexed from 1)		G213 T214 Y240 H241 G242 E302 D334 I336 I337 K362
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Y259 D353 K381
Catalytic site (residue number reindexed from 1) Y240 D334 K362
Enzyme Commision number 2.3.1.-
Gene Ontology
Molecular Function
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
GO:0031177 phosphopantetheine binding

View graph for
Molecular Function
External links
PDB RCSB:6kfu, PDBe:6kfu, PDBj:6kfu
PDBsum6kfu
PubMed
UniProtQ9R9J1|MYCA_BACIU Mycosubtilin synthase subunit A (Gene Name=mycA)

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