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Human P47 px domain complex with sulphates

Analyse Human P47 px domain complex with sulphates in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1O7K
Type: protein
Length: 364 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Neutrophil cytosol factor 1
UniProt: P14598
Ligands: SO4
Pockets: 4 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Neutrophil cytosol factor 1	protein	124	39% helix, 23% strand	P14598
B, C	Neutrophil cytosol factor 1	protein	120	43% helix, 23% strand	P14598

Ligands and binding sites

SO4 · Sulfate ion · ion · 7 copies · chains A, C, B

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

Pockets

4 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	761	0.79	0.83	94	empty
2	202	0.56	0.79	32	empty
3	76	0.43	0.80	19	SO4
4	52	0.31	0.77	17	SO4

Interfaces

3 interfaces between chains.

A–C · 680 Å² buried · 6 hydrogen bonds · protein-protein
B–C · 670 Å² buried · 8 hydrogen bonds · protein-protein
A–B · 649 Å² buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 modified (engineered).

Compared structures

1O7K · human p47 PX domain complex with sulphates · the same entry in another collection · chain B against B, TM-score 1.00
P14598 · AlphaFold monomer V2.0 prediction for neutrophil cytosol factor 1 (P14598) · a predicted model of the same protein · chain B against A, TM-score 0.95

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 P14598
Elsewhere: RCSB PDB 1O7K · PDBe 1O7K · UniProt P14598

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