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The structure of ccpa from staphylococcus aureus

Analyse The structure of ccpa from staphylococcus aureus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7E5W
Type: protein
Length: 958 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Catabolite control protein a
UniProt: P99175
Ligands: SO4
Pockets: 9 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 44% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Catabolite control protein a	protein	320	44% helix, 19% strand	P99175
B, C	Catabolite control protein a	protein	319	45% helix, 20% strand	P99175

Ligands and binding sites

SO4 · Sulfate ion · ion · 6 copies · chains A, B, C

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

Pockets

9 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	1164	0.82	0.83	104	SO4
2	620	0.75	0.82	58	SO4
3	275	0.60	0.79	29	SO4
4	165	0.59	0.82	27	empty
5	349	0.56	0.75	54	empty

Interfaces

3 interfaces between chains.

B–C · 2008 Å² buried · 29 hydrogen bonds · protein-protein
A–B · 1121 Å² buried · 18 hydrogen bonds · protein-protein
A–C · 128 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

7E5W · The structure of CcpA from Staphylococcus aureus · the same entry in another collection · chain A against A, TM-score 1.00
P99175 · AlphaFold monomer V2.0 prediction for catabolite control protein a (P99175) · a predicted model of the same protein · chain C against A, TM-score 0.82

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 P99175
Elsewhere: RCSB PDB 7E5W · PDBe 7E5W · UniProt P99175

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