Structure of PDB 8bob Chain B Binding Site BS01

Receptor Information
>8bob Chain B (length=390) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFDFSKVVDRHGTWCTQWDYVADRFGTADLLPFTISDMDFATAPCIIEAL
NQRLMHGVFGYSRWKNDEFLAAIAHWFSTQHYTAIDSQTVVYGPSVIYMV
SELIRQWSETGEGVVIHTPAYDAFYKAIEGNQRTVMPVALEKQADGWFCD
MGKLEAVLAKPECKIMLLCSPQNPTGKVWTCDELEIMADLCERHGVRVIS
DEIHMDMVWGEQPHIPWSNVARGDWALLTSGSKSFNIPALTGAYGIIENS
SSRDAYLSALKGRDGLSSPSVLALTAHIAAYQQGAPWLDALRIYLKDNLT
YIADKMNAAFPELNWQIPQSTYLAWLDLRPLNIDDNALQKALIEQEKVAI
MPGYTYGEEGRGFVRLNAGCPRSKLEKGVAGLINAIRAVR
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 chain8bob Chain B Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8bob Structural basis for negative regulation of the Escherichia coli maltose system.
Resolution2.94 Å
Binding residue
(original residue number in PDB)		Y121 D201 I203 H204 K233
Binding residue
(residue number reindexed from 1)		Y121 D201 I203 H204 K233
Annotation score1
Enzymatic activity
Enzyme Commision number 4.4.1.13: cysteine-S-conjugate beta-lyase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005515 protein binding
GO:0016829 lyase activity
GO:0030170 pyridoxal phosphate binding
GO:0042803 protein homodimerization activity
GO:0047804 cysteine-S-conjugate beta-lyase activity
GO:0080146 L-cysteine desulfhydrase activity
GO:0140297 DNA-binding transcription factor binding
Biological Process
GO:0009058 biosynthetic process
GO:0009086 methionine biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8bob, PDBe:8bob, PDBj:8bob
PDBsum8bob
PubMed37582800
UniProtP23256|MALY_ECOLI Protein MalY (Gene Name=malY)

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