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Crystal structure of ATPase DELTA1-79 SPA47 R271E

Analyse Crystal structure of ATPase DELTA1-79 SPA47 R271E in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6N74
Type: protein
Length: 665 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: 7 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ATP synthase SPAL/MXIB (EC 7.1.2.2)	protein	333	44% helix, 20% strand	P0A1C1
B	ATP synthase SPAL/MXIB (EC 7.1.2.2)	protein	332	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

7 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	796	0.70	0.77	71	empty
2	127	0.57	0.83	32	SO4
3	85	0.56	0.85	15	empty
4	126	0.54	0.82	20	empty
5	80	0.50	0.83	17	empty

Interfaces

1 interface between chains.

A–B · 395 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

6N74 · Crystal Structure of ATPase delta1-79 Spa47 R271E · 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 6N74 · PDBe 6N74 · UniProt P0A1C1

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