Structure of PDB 8atj Chain AAA Binding Site BS01

Receptor Information
>8atj Chain AAA (length=70) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKPVHLWTKPDVADWLESLNLGEHKEAFMDNEIDGSHLPNLQKEDLIDLG
VTRVGHRMNIERALKQLLDR
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain8atj Chain AAA Residue 1903 [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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PDB8atj Structural deficits in key domains of Shank2 lead to alterations in postsynaptic nanoclusters and to a neurodevelopmental disorder in humans.
Resolution2.117 Å
Binding residue
(original residue number in PDB)		H1803 H1835
Binding residue
(residue number reindexed from 1)		H24 H56
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8atj, PDBe:8atj, PDBj:8atj
PDBsum8atj
PubMed36450866
UniProtQ9UPX8|SHAN2_HUMAN SH3 and multiple ankyrin repeat domains protein 2 (Gene Name=SHANK2)

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