MolNFT v1 · #15462 · protein

Crystal structure of mycobacterium tuberculosis thymidylate kinase complexed with thymidine diphosphate (tdp) and thymidine triphosphate (ttp) at pH 5.4 (1.85 a resolution)

1N5J: “Crystal structure of mycobacterium tuberculosis thymidylate kinase complexed with thymidine diphosphate (tdp)…”. X-ray diffraction, 4 ligands (TYD, TTP, MG), 1 pocket (best druggability 0.68). MolNFT v1 #15462 on GenesisL1: 3D…

PDB: 1N5J
Type: protein
Length: 208 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thymidylate kinase
EC: 2.7.4.9
UniProt: O05891
Ligands: TYD, TTP, MG, SO4
Pockets: 1 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 56% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Thymidylate kinase (EC 2.7.4.9)	protein	208	56% helix, 12% strand	O05891

Ligands and binding sites

TYD · Thymidine-5'-diphosphate · ligand · chains A
TTP · Thymidine-5'-triphosphate · ligand · chains A
MG · Magnesium ion · metal · chains A
SO4 · Sulfate ion · ion · 2 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	301	0.68	0.83	38	SO4, MG, TYD, TTP

Compared structures

1N5J · Crystal structure of mycobacterium tuberculosis thymidylate kinase complexed with… · 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 O05891
Elsewhere: RCSB PDB 1N5J · PDBe 1N5J · UniProt O05891

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