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BioLiP

Structure of PDB 1d2f Chain B Binding Site BS01

Receptor Information
>1d2f Chain B (length=368) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FDFSKVVLLPFTISDMDFATAPCIIEALNQRLMHGVFGYSRWKNDEFLAA
IAHWFSTQHYTAIDSQTVVYGPSVIYMVSELIRQWSETGEGVVIHTPAYD
AFYKAIEGNQRTVMPVALEKQADGWFCDMGKLEAVLAKPECKIMLLCSPQ
NPTGKVWTCDELEIMADLCERHGVRVISDEIHMDMVWGEQPHIPWSNVAR
GDWALLTSGSKSFNIPALTGAYGIIENSSSRDAYLSALKGRDGLSSPSVL
ALTAHIAAYQQGAPWLDALRIYLKDNLTYIADKMNAAFPELNWQIPQSTY
LAWLDLRPLNIDDNALQKALIEQEKVAIMPGYTYGEEGRGFVRLNAGCPR
SKLEKGVAGLINAIRAVR
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 chain1d2f Chain B Residue 400 [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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PDB1d2f X-ray structure of MalY from Escherichia coli: a pyridoxal 5'-phosphate-dependent enzyme acting as a modulator in mal gene expression.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		Y121 D201 I203 H204 K233
Binding residue
(residue number reindexed from 1)		Y99 D179 I181 H182 K211
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

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Molecular Function
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Biological Process
External links
PDB RCSB:1d2f, PDBe:1d2f, PDBj:1d2f
PDBsum1d2f
PubMed10698925
UniProtP23256|MALY_ECOLI Protein MalY (Gene Name=malY)

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