Structure of PDB 7kzd Chain E Binding Site BS01

Receptor Information
>7kzd Chain E (length=437) Species: 1396 (Bacillus cereus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTISGHSKDNLALLKCLQGETKEKEFEISNVLPNHKMKEKLFRENKLKID
IDIEKDIFNYSRKNIQKIEFMPVNRLISQSEIDGIIGTLKEVLPTGQFTS
GPFSKKLEEVIGDYLNKKYVIATSSGTDALMVSLLSIGIQPGDEVIMPAN
SFAATENAVLAIGAKPVFVDIDHKSYCIDPLKIEEAITQKTKCILPVHLY
GKQCDMKRIREIADVYQLRIIEDACQAIGSSNLGEYGDIIILSFNPYKNF
GVCGKAGAIVTNNENLAIRCNQYSYHGFEVDKKNKKVLDFGFNSKIDNLQ
AAIGLERIKFLSYNNLKRVFLAQRYIRNLKELEDRELIKLPRMTEDNVWH
LFPIRIINGRRDEVKNKLYQLYNIETDIYYPVLSHKHNTKLVKKNYMQDT
LLNTEQVHKEILHLPLHPNMLLEEQNFVLEGLINVNK
Ligand information
Ligand IDPLR
InChIInChI=1S/C8H12NO5P/c1-5-7(4-14-15(11,12)13)3-9-6(2)8(5)10/h3,10H,4H2,1-2H3,(H2,11,12,13)
InChIKeyRBCOYOYDYNXAFA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(C)c1O
ACDLabs 10.04O=P(O)(O)OCc1cnc(c(O)c1C)C
OpenEye OEToolkits 1.5.0Cc1c(cnc(c1O)C)COP(=O)(O)O
FormulaC8 H12 N O5 P
Name(5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE;
4'-DEOXYPYRIDOXINE PHOSPHATE
ChEMBLCHEMBL1235333
DrugBank
ZINCZINC000001656021
PDB chain7kzd Chain E Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7kzd Snapshots along the catalytic path of KabA, a PLP-dependent aminotransferase required for kanosamine biosynthesis in Bacillus cereus UW85.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G132 T133 A160 D229 C231 Q232 S249 N251 K254
Binding residue
(residue number reindexed from 1)		G126 T127 A154 D223 C225 Q226 S243 N245 K248
Annotation score1
Enzymatic activity
Enzyme Commision number 2.6.1.1: aspartate transaminase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0000271 polysaccharide biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7kzd, PDBe:7kzd, PDBj:7kzd
PDBsum7kzd
PubMed33984505
UniProtC0JRF5

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