Structure of PDB 7rgj Chain B Binding Site BS02

Receptor Information

>7rgj Chain B (length=157) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MKLSLMVAISKNGVIGNGPDIPWSAKGEQLLFKAITYNQWLLVGRKTFES
MGALPNRKYAVVTRSSFTSDNENVLIFPSIKDALTNLKKITDHVIVSGGG
EIYKSLIDQVDTLHISTIDIEPEGDVYFPEIPSNFRPVFTQDFASNINYS
YQIWQKG

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

7rgj Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	7rgj Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Resolution	1.44 Å
Binding residue (original residue number in PDB)	S79 I80 K81
Binding residue (residue number reindexed from 1)	S79 I80 K81
Annotation score	1

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:0050661	NADP binding

	Biological Process
GO:0006730	one-carbon metabolic process
GO:0031427	response to methotrexate
GO:0046452	dihydrofolate metabolic process
GO:0046654	tetrahydrofolate biosynthetic process
GO:0046655	folic acid metabolic process
GO:0046677	response to antibiotic

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Molecular Function

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Biological Process

External links

PDB	RCSB:7rgj, PDBe:7rgj, PDBj:7rgj
PDBsum	7rgj
PubMed	35562546
UniProt	P00382\|DYR1_ECOLX Dihydrofolate reductase type 1 (Gene Name=dhfrI)

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