MolNFT v1 · #152060 · protein

Co-crystal structure of human spop math domain (M117V) and human BRD3 fragment

6I68 · Speckle-type poz protein: “Co-crystal structure of human spop math domain (M117V) and human BRD3 fragment”. X-ray diffraction, 8 pockets (best druggability 0.51). MolNFT v1 #152060 on GenesisL1: 3D structure, binding sites and…

PDB: 6I68
Type: protein
Length: 585 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Speckle-type poz protein; Bromodomain-containing protein 3
UniProt: O43791, Q15059
Pockets: 8 · best druggability 0.51

Structure

x-ray diffraction · 6 distinct chains · 12% helix, 46% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Speckle-type poz protein	protein	141	12% helix, 46% strand	O43791
B, H	Bromodomain-containing protein 3	protein	7	0% helix, 14% strand	Q15059
C, E	Speckle-type poz protein	protein	139	12% helix, 48% strand	O43791
D	Bromodomain-containing protein 3	protein	6	0% helix, 17% strand	Q15059
F	Bromodomain-containing protein 3	protein	9	0% helix, 11% strand	Q15059
G	Speckle-type poz protein	protein	137	12% helix, 47% strand	O43791

Pockets

8 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	256	0.51	0.75	26	empty
2	226	0.51	0.76	22	empty
3	205	0.48	0.75	23	empty
4	78	0.36	0.77	17	empty
5	79	0.35	0.75	15	empty

Interfaces

7 interfaces between chains.

A–C · 865 Å² buried · 11 hydrogen bonds · protein-protein
E–G · 854 Å² buried · 12 hydrogen bonds · protein-protein
E–F · 425 Å² buried · 15 hydrogen bonds · protein-protein
C–D · 388 Å² buried · 15 hydrogen bonds · protein-protein
A–B · 376 Å² buried · 15 hydrogen bonds · protein-protein

Compared structures

6I68 · Co-crystal structure of human SPOP MATH domain (M117V) and human BRD3 fragment · the same entry in another collection · chain H against H, TM-score 1.00
O43791 · AlphaFold monomer V2.0 prediction for speckle-type poz protein (O43791) · a predicted model of the same protein · chain G against A, TM-score 0.96
Q15059 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 3 (Q15059) · a predicted model of the same protein · chain D against A, TM-score 0.57

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 O43791
Every structure of UniProt Q15059
Elsewhere: RCSB PDB 6I68 · PDBe 6I68 · UniProt O43791 · UniProt Q15059

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