Structure of PDB 4gh8 Chain B Binding Site BS03

Receptor Information
>4gh8 Chain B (length=162) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MISLIAALAVDRVIGMENAMPWPPLPADLAWFKRNTLNKPVIMGRHTWES
IPEKNRPLPGRKNIILSSQPGTDDRVTWVKSVDEAIAACGDVPEIMVIGG
GRVYEQFLPKAQKLYLTHIDAEVEGDTHFPDYEPDDWESVFSEFHDADAQ
NSHSYCFEILER
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4gh8 Chain B Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4gh8 Functional significance of evolving protein sequence in dihydrofolate reductase from bacteria to humans.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		E53 R56
Binding residue
(residue number reindexed from 1)		E53 R56
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) I5 M20 W22 D28 L29 F32 L58 I95 T117
Catalytic site (residue number reindexed from 1) I5 M20 W22 D28 L29 F32 L58 I95 T117
Enzyme Commision number 1.5.1.3: dihydrofolate reductase.
Gene Ontology
Molecular Function
GO:0004146 dihydrofolate reductase activity
GO:0050661 NADP binding
Biological Process
GO:0046654 tetrahydrofolate biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4gh8, PDBe:4gh8, PDBj:4gh8
PDBsum4gh8
PubMed23733948
UniProtP0ABQ4|DYR_ECOLI Dihydrofolate reductase (Gene Name=folA)

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