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Crystal structure of ATPase DELTA1-79 SPA47 R189A

Analyse Crystal structure of ATPase DELTA1-79 SPA47 R189A in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6N6M
Type: protein
Length: 676 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ATP synthase SPAL/MXIB
EC: 7.1.2.2
UniProt: P0A1C1
Ligands: SO4
Pockets: 10 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 44% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ATP synthase SPAL/MXIB (EC 7.1.2.2)	protein	342	43% helix, 20% strand	P0A1C1
B	ATP synthase SPAL/MXIB (EC 7.1.2.2)	protein	334	45% helix, 21% strand	P0A1C1

Ligands and binding sites

SO4 · Sulfate ion · ion · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	673	0.68	0.76	64	empty
2	89	0.61	0.88	18	empty
3	85	0.53	0.85	29	SO4
4	100	0.53	0.83	21	empty
5	116	0.52	0.82	17	empty

Interfaces

1 interface between chains.

A–B · 375 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

6N6M · Crystal Structure of ATPase delta1-79 Spa47 R189A · the same entry in another collection · chain A against A, TM-score 1.00
P0A1C1 · AlphaFold monomer V2.0 prediction for type 3 secretion system ATPase (P0A1C1) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 P0A1C1
Elsewhere: RCSB PDB 6N6M · PDBe 6N6M · UniProt P0A1C1

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