Structure of PDB 6u7t Chain A Binding Site BS04

Receptor Information
>6u7t Chain A (length=349) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RFPAREFQRDLLDWFARERRDLPWRKDRDPYKVWVSEVMLQQTRVETVIP
YFEQFIDRFPTLEALADADEDEVLKAWEGLGYYSRVRNLHAAVKEVKTRY
GGKVPDDPDEFSRLKGVGPYTVGAVLSLAYGVPEPAVDGNVMRVLSRLFL
VTDDIAKPSTRKRFEQIVREIMAYENPGAFNEALIELGALVCTPRRPSCL
LCPVQAYCQAFAEGVAEELPVKMKKTAVKQVPLAVAVLADDEGRVLIRKR
DSTGLLANLWEFPSCETDGADGKEKLEQMVGEQELTEPIVSFEHAFSHLV
WQLTVFPGRLVHGGPVEEPYRLAPEDELKAYAFPVSHQRVWREYKEWAS
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 chain6u7t Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6u7t Structural Basis for Finding OG Lesions and Avoiding Undamaged G by the DNA Glycosylase MutY.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S118 V123
Binding residue
(residue number reindexed from 1)		S112 V117
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E43 Y126 D144
Catalytic site (residue number reindexed from 1) E37 Y120 D138
Enzyme Commision number 3.2.2.31: adenine glycosylase.
Gene Ontology
Molecular Function
GO:0000701 purine-specific mismatch base pair DNA N-glycosylase activity
GO:0003677 DNA binding
GO:0003824 catalytic activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0019104 DNA N-glycosylase activity
GO:0032357 oxidized purine DNA binding
GO:0034039 8-oxo-7,8-dihydroguanine DNA N-glycosylase activity
GO:0035485 adenine/guanine mispair binding
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006281 DNA repair
GO:0006284 base-excision repair
GO:0006298 mismatch repair
GO:0006950 response to stress

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6u7t, PDBe:6u7t, PDBj:6u7t
PDBsum6u7t
PubMed31829624
UniProtP83847|MUTY_GEOSE Adenine DNA glycosylase (Gene Name=mutY)

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