Structure of PDB 3umi Chain A Binding Site BS01

Receptor Information
>3umi Chain A (length=183) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ENEHAHFQKAKERLEAKHRERMSQVMREWEEAERQAKNLPKADKKAVIQH
FQEKVESLEQEAANERQQLVETHMARVEAMLNDRRRLALENYITALQAVP
PRPRHVFNMLKKYVRAEQKDRQHTLKHFEHVRMVDPKKAAQIRSQVMTHL
RVIYERMNQSLSLLYNVPAVAEEIQDEVDELLQ
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 chain3umi Chain A Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3umi Metal Binding Dictates Conformation and Function of the Amyloid Precursor Protein (APP) E2 Domain.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		H382 H432 H436
Binding residue
(residue number reindexed from 1)		H73 H123 H127
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:3umi, PDBe:3umi, PDBj:3umi
PDBsum3umi
PubMed22245578
UniProtP05067|A4_HUMAN Amyloid-beta precursor protein (Gene Name=APP)

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