Structure of PDB 8roo Chain A Binding Site BS02
Receptor Information
>8roo Chain A (length=276) Species:
9606
(Homo sapiens) [
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GSHSMRYFHTSVSRPGRGEPRFISVGYVDGTQFVRFDSDAASPRTEPRAP
WIEQEGPEYWDRNTQISKTNTQTYRESLRNLRGYYNQSEAGSHTLQRMYG
CDVGPDGRLLRGHDQSAYDGKDYIALNEDLSSWTAADTAAQITQRKWEAA
RVAEQLRAYLEGTCVEWLRRHLENGKETLQRADPPKTHVTHHPISDHEAT
LRCWALGFYPAEITLTWQRDGEDQTQDTELVETRPAGDRTFQKWAAVVVP
SGEEQRYTCHVQHEGLPKPLTLRWEP
Ligand information
Ligand ID
MG
InChI
InChI=1S/Mg/q+2
InChIKey
JLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
Software
SMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Mg+2]
CACTVS 3.341
[Mg++]
Formula
Mg
Name
MAGNESIUM ION
ChEMBL
DrugBank
DB01378
ZINC
PDB chain
8roo Chain A Residue 308 [
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Receptor-Ligand Complex Structure
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PDB
8roo
Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix
Resolution
1.4 Å
Binding residue
(original residue number in PDB)
L78 R82 H93 Y118
Binding residue
(residue number reindexed from 1)
L78 R82 H93 Y118
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:8roo
,
PDBe:8roo
,
PDBj:8roo
PDBsum
8roo
PubMed
38737448
UniProt
S6AU73
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