MolNFT v1 · #108045 · protein

Competence or damage-inducible protein cina from thermus thermophilus

4UUX: “Competence or damage-inducible protein cina from thermus thermophilus”. X-ray diffraction, 3 ligands (APR, MG, SO4), 13 pockets (best druggability 0.81). MolNFT v1 #108045 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4UUX
Type: protein
Length: 788 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cina
UniProt: Q5SHB0
Ligands: APR, MG, SO4
Pockets: 13 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Cina	protein	394	39% helix, 28% strand	Q5SHB0

Ligands and binding sites

APR · Adenosine-5-diphosphoribose · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · 2 copies · chains A, B
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

13 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	737	0.81	0.84	62	APR, MG
2	124	0.62	0.87	29	empty
3	231	0.59	0.80	26	SO4
4	191	0.55	0.79	29	SO4
5	279	0.53	0.75	25	empty

Interfaces

1 interface between chains.

A–B · 3200 Å² buried · 73 hydrogen bonds · protein-protein

Compared structures

4UUX · Competence or damage-inducible protein CinA from Thermus thermophilus · the same entry in another collection · chain A against A, TM-score 1.00

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 Q5SHB0
Elsewhere: RCSB PDB 4UUX · PDBe 4UUX · UniProt Q5SHB0

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