MolNFT v1 · #168308 · protein

Structure of human HDAC2 in complex with an ethyl ketone inhibitor

6WBW: “Structure of human HDAC2 in complex with an ethyl ketone inhibitor”. X-ray diffraction, 3 ligands (TV1, CA, ZN). MolNFT v1 #168308 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6WBW
Type: protein
Length: 1,099 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: Q92769
Ligands: TV1, CA, ZN

Structure

x-ray diffraction · 3 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	367	—	Q92769
B	—	protein	365	—	Q92769
C	—	protein	367	—	Q92769

Ligands and binding sites

TV1 · N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-1-methylazetidine-3-carboxamide · ligand · 3 copies · chains A, B, C
CA · Calcium ion · metal · 6 copies · chains A, B, C
ZN · Zinc ion · metal · 3 copies · chains A, B, C
PEG · Di(hydroxyethyl)ether · additive · 6 copies · chains A, B, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

6WBW · Structure of Human HDAC2 in complex with an ethyl ketone inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
Q92769 · AlphaFold monomer V2.0 prediction for histone deacetylase 2 (Q92769) · a predicted model of the same protein · chain B against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q92769
Elsewhere: RCSB PDB 6WBW · PDBe 6WBW · UniProt Q92769

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