Structure of PDB 8rog Chain A Binding Site BS01

Receptor Information
>8rog Chain A (length=359) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GFLKLIEIENFKSYKGRQIIGPFQRFTAIIGPNGSGKSNLMDAISFVLGE
KTSNLRVKTLRDLIHGAPVGKPAANRAFVSMVYSEEGAEDRTFARVIVGG
SSEYKINNKVVQLHEYSEELEKLGILIKARNFLVFQGAVESIAMKNPKER
TALFEEISRSGELAQEYDKRKKEMGSGSLVPRGSGSAKQAFEQIKKERFD
RFNACFESVATNIDEIYKALSRNSSAQAFLGPENPEEPYLDGINYNCVAP
GKRFRPMDNLSGGEKTVAALALLFAIHSYKPAPFFVLDQIDAALDNTNIG
KVANYIKEQSTCNFQAIVISLKEEFYTKAESLIGVYPEQGDCVISKVLTF
DLTKYPDAN
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 chain8rog Chain A Residue 2000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8rog The cohesin ATPase cycle is mediated by specific conformational dynamics and interface plasticity of SMC1A and SMC3 ATPase domains.
Resolution1.94 Å
Binding residue
(original residue number in PDB)		S39 Q137
Binding residue
(residue number reindexed from 1)		S38 Q136
Annotation score4
External links
PDB RCSB:8rog, PDBe:8rog, PDBj:8rog
PDBsum8rog
PubMed39240714
UniProtQ14683|SMC1A_HUMAN Structural maintenance of chromosomes protein 1A (Gene Name=SMC1A)

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