MolNFT v1 · #114940 · protein

Crystal structure analysis of bromodomain from leishmania donovani complexed with bromosporine

5C4Q: “Crystal structure analysis of bromodomain from leishmania donovani complexed with bromosporine”. X-ray diffraction, 2 ligands (BMF, UNX), 3 pockets (best druggability 0.54). MolNFT v1 #114940 on GenesisL1: 3D structure, binding…

PDB: 5C4Q
Type: protein
Length: 232 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bromodomain
UniProt: E9BU22
Ligands: BMF, UNX
Pockets: 3 · best druggability 0.54

Structure

x-ray diffraction · 2 distinct chains · 58% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bromodomain	protein	118	57% helix, 0% strand	E9BU22
B	Bromodomain	protein	114	59% helix, 0% strand	E9BU22

Ligands and binding sites

BMF · Bromosporine · ligand · 2 copies · chains A, B
UNX · Unknown atom or ion · ion · 9 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	102	0.54	0.84	22	BMF
2	96	0.51	0.82	21	BMF
3	147	0.46	0.76	23	UNX

Interfaces

1 interface between chains.

A–B · 843 Å² buried · 20 hydrogen bonds · protein-protein

Compared structures

5C4Q · Crystal Structure Analysis of bromodomain from Leishmania donovani complexed with… · 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 E9BU22
Elsewhere: RCSB PDB 5C4Q · PDBe 5C4Q · UniProt E9BU22

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