MolNFT v1 · #107832 · protein

Competence or damage-inducible protein cina from thermus thermophilus

4UOC: “Competence or damage-inducible protein cina from thermus thermophilus”. X-ray diffraction, 1 ligand (NCN), 11 pockets (best druggability 0.79). MolNFT v1 #107832 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4UOC
Type: protein
Length: 777 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cina
UniProt: Q5SHB0
Ligands: NCN
Pockets: 11 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cina	protein	394	39% helix, 27% strand	Q5SHB0
B	Cina	protein	383	39% helix, 28% strand	Q5SHB0

Ligands and binding sites

NCN · Nicotinate mononucleotide · ligand · 2 copies · chains A, B

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

Pockets

11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	833	0.79	0.82	72	empty
2	122	0.72	0.92	29	empty
3	154	0.58	0.83	25	NCN
4	156	0.56	0.82	26	NCN
5	179	0.45	0.74	26	empty

Interfaces

1 interface between chains.

A–B · 3180 Å² buried · 64 hydrogen bonds · protein-protein

Compared structures

4UOC · 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 4UOC · PDBe 4UOC · UniProt Q5SHB0

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