MolNFT v1 · #140726 · protein

The complex structure of RV3197-ADP from mycobacterium tuberculosis

5YK0 · Probable conserved ATP-binding protein ABC transporter: “The complex structure of RV3197-ADP from mycobacterium tuberculosis”. X-ray diffraction, 2 ligands (ADP, SO4), 4 pockets (best druggability 0.75). MolNFT v1 #140726 on…

PDB: 5YK0
Type: protein
Length: 399 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Probable conserved ATP-binding protein ABC transporter
UniProt: O53343
Ligands: ADP, SO4
Pockets: 4 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 54% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Probable conserved ATP-binding protein ABC transporter	protein	399	54% helix, 13% strand	O53343

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · chains A
SO4 · Sulfate ion · ion · 6 copies · chains A
GOL · Glycerol · additive · 3 copies · chains A

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	279	0.75	0.87	38	empty
2	309	0.59	0.78	40	ADP
3	207	0.48	0.75	22	empty
4	56	0.32	0.76	12	empty

Compared structures

5YK0 · The complex structure of Rv3197-ADP from Mycobacterium tuberculosis · 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 O53343
Elsewhere: RCSB PDB 5YK0 · PDBe 5YK0 · UniProt O53343

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