MolNFT v1 · #62944 · protein

Crystal structure of muke-MUKF(RESIDUES 292-443)-MUKB(HEAD domain)- atpgammas complex, asymmetric dimer

3EUK · Chromosome partition protein mukb, linker: “Crystal structure of muke-MUKF(RESIDUES 292-443)-MUKB(HEAD domain)- atpgammas complex, asymmetric dimer”. X-ray diffraction, 2 ligands (AGS, MG), 20 pockets (best druggability 0.80).…

PDB: 3EUK
Type: protein
Length: 2,308 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Chromosome partition protein mukb, linker; Chromosome partition protein mukf; Chromosome…
UniProt: Q7VL96, Q7VL94, Q7VL95
Ligands: AGS, MG
Pockets: 20 · best druggability 0.80

Structure

x-ray diffraction · 8 distinct chains · 36% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Chromosome partition protein mukb, linker	protein	442	37% helix, 19% strand	Q7VL96
C	Chromosome partition protein mukb, linker	protein	455	37% helix, 19% strand	Q7VL96
E	Chromosome partition protein mukf	protein	101	41% helix, 8% strand	Q7VL94
F	Chromosome partition protein mukb, linker	protein	447	34% helix, 21% strand	Q7VL96
H	Chromosome partition protein mukb, linker	protein	459	34% helix, 18% strand	Q7VL96
J	Chromosome partition protein mukf	protein	124	30% helix, 13% strand	Q7VL94
L	Chromosome partition protein muke	protein	173	50% helix, 9% strand	Q7VL95
M	Chromosome partition protein muke	protein	107	25% helix, 6% strand	Q7VL95

Ligands and binding sites

AGS · Phosphothiophosphoric acid-adenylate ester · ligand · 4 copies · chains A, C, F, H
MG · Magnesium ion · metal · 4 copies · chains A, C, F, H

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	364	0.80	0.90	59	AGS, MG
2	512	0.80	0.87	65	empty
3	459	0.76	0.84	56	MG, AGS
4	435	0.74	0.84	57	AGS, MG
5	54	0.74	0.99	17	empty

Interfaces

16 interfaces between chains.

A–C · 1811 Å² buried · 25 hydrogen bonds · protein-protein
F–H · 1770 Å² buried · 26 hydrogen bonds · protein-protein
C–E · 1438 Å² buried · 18 hydrogen bonds · protein-protein
H–J · 1406 Å² buried · 20 hydrogen bonds · protein-protein
F–J · 1073 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

3EUK · Crystal structure of MukE-MukF(residues 292-443)-MukB(head domain)-ATPgammaS complex… · the same entry in another collection · chain M against M, TM-score 1.00
Q7VL96 · AlphaFold monomer V2.0 prediction for chromosome partition protein mukb (Q7VL96) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 Q7VL96
Every structure of UniProt Q7VL94
Every structure of UniProt Q7VL95
Elsewhere: RCSB PDB 3EUK · PDBe 3EUK · UniProt Q7VL96 · UniProt Q7VL94 · UniProt Q7VL95

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