MolNFT v1 · #182456 · protein
Crystal structure of the first bromodomain (BD1) of human brdt bound to gxh-II-052
7MRC: “Crystal structure of the first bromodomain (BD1) of human brdt bound to gxh-II-052”. X-ray diffraction, 1 ligand (ZMS). MolNFT v1 #182456 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7MRC
- Type
- protein
- Length
- 224 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q58F21
- Ligands
- ZMS
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | — | protein | 112 | — | Q58F21 |
Ligands and binding sites
- ZMS · N,N'-{oxybis[(ethane-2,1-diyl)oxy(1-oxoethane-2,1-diyl)piperidine-1,4-diyl]}bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide} · ligand · chains A, B
- EDO · 1,2-ethanediol · additive · 5 copies · chains A, B
- DMS · Dimethyl sulfoxide · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7MRC · Crystal structure of the first bromodomain (BD1) of human BRDT bound to GXH-II-052 · the same entry in another collection · chain A against A, TM-score 1.00
- Q58F21 · AlphaFold monomer V2.0 prediction for bromodomain testis-specific protein (Q58F21) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 Q58F21
- Elsewhere: RCSB PDB 7MRC · PDBe 7MRC · UniProt Q58F21
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