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Crystal structure of bovine coupling factor B

Analyse Crystal structure of bovine coupling factor B in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3E2J
Type: protein
Length: 700 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ATP synthase subunit S, mitochondrial
EC: 3.6.3.14
UniProt: P22027
Ligands: MG
Pockets: 5 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	ATP synthase subunit S, mitochondrial (EC 3.6.3.14)	protein	175	38% helix, 17% strand	P22027

Ligands and binding sites

MG · Magnesium ion · metal · 4 copies · chains A, B, C, D

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

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1031	0.80	0.81	87	empty
2	862	0.78	0.81	66	empty
3	118	0.64	0.88	27	empty
4	110	0.55	0.84	27	empty
5	55	0.43	0.83	17	empty

Interfaces

5 interfaces between chains.

A–B · 796 Å² buried · 4 hydrogen bonds · protein-protein
A–C · 378 Å² buried · 3 hydrogen bonds · protein-protein
B–D · 338 Å² buried · 3 hydrogen bonds · protein-protein
B–C · 299 Å² buried · 0 hydrogen bonds · protein-protein
A–D · 268 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

3E2J · Crystal structure of bovine coupling factor B · the same entry in another collection · chain D against D, TM-score 1.00
P22027 · AlphaFold monomer V2.0 prediction for ATP synthase subunit S, mitochondrial (P22027) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P22027
Elsewhere: RCSB PDB 3E2J · PDBe 3E2J · UniProt P22027

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