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ATPASE

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

PDB: 6JD4
Type: protein
Length: 522 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Esx-1 secretion system protein ECCCB1
UniProt: P9WNB1
Ligands: ATP, MG
Pockets: 7 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Esx-1 secretion system protein ECCCB1	protein	261	30% helix, 22% strand	P9WNB1

Ligands and binding sites

ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	914	0.75	0.78	97	empty
2	172	0.52	0.79	23	empty
3	67	0.39	0.79	18	empty
4	57	0.37	0.79	16	empty
5	93	0.35	0.74	16	empty

Interfaces

1 interface between chains.

A–B · 741 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

6JD4 · ATPase · the same entry in another collection · chain A against A, TM-score 1.00
P9WNB1 · AlphaFold monomer V2.0 prediction for esx-1 secretion system protein ECCCB1 (P9WNB1) · a predicted model of the same protein · chain B 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 P9WNB1
Elsewhere: RCSB PDB 6JD4 · PDBe 6JD4 · UniProt P9WNB1

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