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Crystal structure of human MUS81-EME1 in complex with 5'-flap DNA

Analyse Crystal structure of human MUS81-EME1 in complex with 5'-flap DNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4P0Q
Type: protein + DNA
Length: 603 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Crossover junction endonuclease MUS81; Crossover junction endonuclease EME1; DNA…
EC: 3.1.22.-
UniProt: Q96NY9, Q96AY2
Pockets: 9 · best druggability 0.78

Structure

x-ray diffraction · 5 distinct chains · 43% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Crossover junction endonuclease MUS81 (EC 3.1.22.-)	protein	285	39% helix, 19% strand	Q96NY9
B	Crossover junction endonuclease EME1 (EC 3.1.22.-)	protein	284	46% helix, 14% strand	Q96AY2
E	DNA gaatgtgtgtctcaatc	dna	17	—	—
F	DNA ggattg	dna	6	—	—
G	DNA taaccagacacacatt	dna	11	—	—

Pockets

9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1089	0.78	0.80	68	empty
2	347	0.72	0.84	49	empty
3	391	0.71	0.83	33	empty
4	310	0.60	0.78	33	empty
5	344	0.57	0.76	42	empty

Interfaces

8 interfaces between chains.

A–B · 3617 Å² buried · 46 hydrogen bonds · protein-protein
A–E · 550 Å² buried · 7 hydrogen bonds · protein-nucleic
E–G · 520 Å² buried · 45 hydrogen bonds · nucleic-nucleic
A–G · 329 Å² buried · 5 hydrogen bonds · protein-nucleic
E–F · 275 Å² buried · 25 hydrogen bonds · nucleic-nucleic

Compared structures

4P0Q · Crystal structure of Human Mus81-Eme1 in complex with 5'-flap DNA · the same entry in another collection · chain B against B, TM-score 1.00
Q96NY9 · AlphaFold monomer V2.0 prediction for crossover junction endonuclease MUS81 (Q96NY9) · a predicted model of the same protein · chain A against A, TM-score 0.95
Q96AY2 · AlphaFold monomer V2.0 prediction for crossover junction endonuclease EME1 (Q96AY2) · a predicted model of the same protein · chain B against A, TM-score 0.76

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 Q96NY9
Every structure of UniProt Q96AY2
Elsewhere: RCSB PDB 4P0Q · PDBe 4P0Q · UniProt Q96NY9 · UniProt Q96AY2

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