MolNFT v1 · #165854 · protein

BRD2-BD1 in complex with the cyclic peptide 3.2_2

6U8H · Bromodomain-containing protein 2: “BRD2-BD1 in complex with the cyclic peptide 3.2_2”. X-ray diffraction, 3 ligands (ACE, IOD, NH2). MolNFT v1 #165854 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6U8H
Type: protein
Length: 140 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bromodomain-containing protein 2; Cyclic peptide 3.2_2
UniProt: H0Y6K2
Ligands: ACE, IOD, NH2

Structure

x-ray diffraction · 2 distinct chains · 59% helix, 3% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bromodomain-containing protein 2	protein	128	57% helix, 3% strand	H0Y6K2
C	Cyclic peptide 3.2_2	protein	12	75% helix, 0% strand	—

Ligands and binding sites

ACE · Acetyl group · ligand · chains C
IOD · Iodide ion · ion · 6 copies · chains A, C
NH2 · Amino group · ion · chains C
GOL · Glycerol · additive · 2 copies · chains A
PE3 · 3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracontane-1,41-diol · additive · chains A, C

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

Interfaces

1 interface between chains.

A–C · 585 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent, 1 modified (covalent ligand, acetylation).

Compared structures

6U8H · BRD2-BD1 in complex with the cyclic peptide 3.2_2 · the same entry in another collection · chain A 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 H0Y6K2
Elsewhere: RCSB PDB 6U8H · PDBe 6U8H · UniProt H0Y6K2

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