MolNFT v1 · #190214 · protein

Crystal structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13120

7WNA: “Crystal structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13120”. X-ray diffraction, 1 ligand (JGR). MolNFT v1 #190214 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7WNA
Type: protein
Length: 648 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P25440
Ligands: JGR

Structure

x-ray diffraction · 4 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, D	—	protein	109	—	P25440
B	—	protein	107	—	P25440
E	—	protein	108	—	P25440
F	—	protein	106	—	P25440

Ligands and binding sites

JGR · ~{N}-[4-(4-fluoranyl-2,6-dimethyl-phenoxy)-3-[2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide · ligand · 6 copies · chains A, B, C, D, E, F
EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, D

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

Compared structures

7WNA · Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor… · the same entry in another collection · chain E against E, TM-score 1.00
P25440 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 2 (P25440) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 P25440
Elsewhere: RCSB PDB 7WNA · PDBe 7WNA · UniProt P25440

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