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Atpgammas bound MBCS1

Analyse Atpgammas bound MBCS1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6UKS
Type: protein
Length: 2,534 residues
Chains: 7
Method: electron microscopy
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mitochondrial chaperone BCS1
UniProt: Q9CZP5
Ligands: AGS, MG
Pockets: 20 · best druggability 0.85

Structure

electron microscopy · 1 distinct chain · 34% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G	Mitochondrial chaperone BCS1	protein	362	34% helix, 20% strand	Q9CZP5

Ligands and binding sites

AGS · Phosphothiophosphoric acid-adenylate ester · ligand · 7 copies · chains A, G, B, C, D, E, F
MG · Magnesium ion · metal · 7 copies · chains A, B, C, D, E, F, G

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	494	0.85	0.91	62	MG, AGS
2	724	0.83	0.87	84	MG, AGS
3	749	0.83	0.86	83	AGS, MG
4	731	0.82	0.86	84	MG, AGS
5	930	0.82	0.84	101	MG, AGS

Interfaces

7 interfaces between chains.

D–E · 2732 Å² buried · 23 hydrogen bonds · protein-protein
C–D · 2731 Å² buried · 23 hydrogen bonds · protein-protein
A–G · 2725 Å² buried · 22 hydrogen bonds · protein-protein
A–B · 2704 Å² buried · 22 hydrogen bonds · protein-protein
E–F · 2685 Å² buried · 21 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 covalent (covalent ligand).

Compared structures

6UKS · ATPgammaS bound mBcs1 · the same entry in another collection · chain G against G, TM-score 1.00
Q9CZP5 · AlphaFold monomer V2.0 prediction for mitochondrial chaperone BCS1 (Q9CZP5) · a predicted model of the same protein · chain F against A, TM-score 0.75

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 Q9CZP5
Elsewhere: RCSB PDB 6UKS · PDBe 6UKS · UniProt Q9CZP5

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