Structure of PDB 7ou0 Chain B Binding Site BS01

Receptor Information
>7ou0 Chain B (length=602) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DNLLAAIWQDSKGFGYATLDISSGRFRLSEPADRETMAAELQRTNPAELL
YAEDFAEMSLIEGRRGLRRRPLWEFEIDTARQQLNLQFGTRDLVGFGVEN
APRGLCAAGCLLQYAKDTQRTTLPHIRSITMEREQDSIIMDAATRRNLEI
TQNLAGGAENTLASVLDCTVTPMGSRMLKRWLHMPVRDTRVLLERQQTIG
ALQDFTAGLQPVLRQVGDLERILARLALRTARPRDLARMRHAFQQLPELR
AQLETVDSAPVQALREKMGEFAELRDLLERAIIDTPPVLVRDGGVIASGY
NEELDEWRALADGDKVLTSKGKALALEKQLYEELFDLLLPHLEALQQSAS
ALAELDVLVNLAERAYTLNYTCPTFIDKPGIRITEGRHPVVEQVLNEPFI
ANPLNLSPQRRMLIITGPNMGGKSTYMRQTALIALMAYIGSYVPAQKVEI
GPIDRIFTRVGAADDLASGRSTFMVEMTETANILHNATEYSLVLMDEIGR
GTSTYDGLSLAWACAENLANKIKALTLFATHYFELTQLPEKMEGVANVHL
DALEHGDTIAFMHSVQDGAASKSYGLAVAALAGVPKEVIKRARQKLRELE
SI
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 chain7ou0 Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7ou0 Cryogenic electron microscopy structures reveal how ATP and DNA binding in MutS coordinates sequential steps of DNA mismatch repair.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		S621 D693
Binding residue
(residue number reindexed from 1)		S424 D496
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003684 damaged DNA binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008301 DNA binding, bending
GO:0016887 ATP hydrolysis activity
GO:0030983 mismatched DNA binding
GO:0032136 adenine/cytosine mispair binding
GO:0042802 identical protein binding
GO:0043531 ADP binding
GO:0140664 ATP-dependent DNA damage sensor activity
Biological Process
GO:0000018 regulation of DNA recombination
GO:0006281 DNA repair
GO:0006298 mismatch repair
GO:0006974 DNA damage response
Cellular Component
GO:0005829 cytosol
GO:0032300 mismatch repair complex
GO:1990710 MutS complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7ou0, PDBe:7ou0, PDBj:7ou0
PDBsum7ou0
PubMed35013597
UniProtP23909|MUTS_ECOLI DNA mismatch repair protein MutS (Gene Name=mutS)

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