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Crystal structure of auh without RNA

Analyse Crystal structure of auh without RNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2ZQR
Type: protein
Length: 1,593 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Methylglutaconyl-CoA hydratase
EC: 4.2.1.18
UniProt: Q13825
Pockets: 19 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 50% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, E	Methylglutaconyl-CoA hydratase (EC 4.2.1.18)	protein	266	50% helix, 17% strand	Q13825
B, D, F	Methylglutaconyl-CoA hydratase (EC 4.2.1.18)	protein	265	50% helix, 17% strand	Q13825

Pockets

19 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	425	0.84	0.92	54	empty
2	163	0.72	0.90	27	empty
3	119	0.72	0.92	25	empty
4	138	0.71	0.91	25	empty
5	230	0.71	0.86	32	empty

Interfaces

15 interfaces between chains.

D–F · 1782 Å² buried · 27 hydrogen bonds · protein-protein
D–E · 1770 Å² buried · 28 hydrogen bonds · protein-protein
B–C · 1768 Å² buried · 23 hydrogen bonds · protein-protein
A–B · 1763 Å² buried · 27 hydrogen bonds · protein-protein
E–F · 1758 Å² buried · 24 hydrogen bonds · protein-protein

Compared structures

2ZQR · Crystal structure of AUH without RNA · the same entry in another collection · chain F against F, TM-score 1.00
Q13825 · AlphaFold monomer V2.0 prediction for methylglutaconyl-CoA hydratase, mitochondrial… · a predicted model of the same protein · 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 Q13825
Elsewhere: RCSB PDB 2ZQR · PDBe 2ZQR · UniProt Q13825

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