Structure of PDB 8szd Chain A Binding Site BS01

Receptor Information
>8szd Chain A (length=161) Species: 632 (Yersinia pestis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMIISLIAALAADRVIGMENAMPWHLPADLAWFKRNTLNKPVIMGRKTFE
SIGRPLPGRLNIVISSQPGTDERVTWAASIEEALAFAGNAEEVMVMGGGR
VYKQFLDRANRMYLTHIDAEVGGDTHFPDYEPDEWESVFSEFHDADEANS
HSYCFEILERR
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8szd Chain A Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8szd Crystal structure of Yersinia pestis dihydrofolate reductase at 1.25-A resolution
Resolution1.25 Å
Binding residue
(original residue number in PDB)		E119 H150
Binding residue
(residue number reindexed from 1)		E120 H151
Annotation score1
Enzymatic activity
Enzyme Commision number 1.5.1.3: dihydrofolate reductase.
Gene Ontology
Molecular Function
GO:0004146 dihydrofolate reductase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050661 NADP binding
Biological Process
GO:0006730 one-carbon metabolic process
GO:0046452 dihydrofolate metabolic process
GO:0046654 tetrahydrofolate biosynthetic process
GO:0046655 folic acid metabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8szd, PDBe:8szd, PDBj:8szd
PDBsum8szd
PubMed
UniProtA0A3N4BLI0

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