MolNFT v1 · #117593 · protein
Mycobacterium tuberculosis dutpase G143STOP mutant
5ECT · Deoxyuridine 5'-triphosphate nucleotidohydrolase: “Mycobacterium tuberculosis dutpase G143STOP mutant”. X-ray diffraction, 2 ligands (DUP, MG), 1 pocket (best druggability 0.35). MolNFT v1 #117593 on GenesisL1: 3D structure, binding…
- PDB
- 5ECT
- Type
- protein
- Length
- 146 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Deoxyuridine 5'-triphosphate nucleotidohydrolase
- EC
- 3.6.1.23
- UniProt
- P9WNS5
- Ligands
- DUP, MG
- Pockets
- 1 · best druggability 0.35
Structure
x-ray diffraction · 1 distinct chain · 7% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Deoxyuridine 5'-triphosphate nucleotidohydrolase (EC 3.6.1.23) | protein | 146 | 7% helix, 34% strand | P9WNS5 |
Ligands and binding sites
- DUP · 2'-deoxyuridine 5'-alpha,beta-imido-triphosphate · ligand · chains A
- MG · Magnesium ion · metal
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
- GOL · Glycerol · additive
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 80 | 0.35 | 0.75 | 19 | empty |
Compared structures
- 5ECT · Mycobacterium tuberculosis dUTPase G143STOP mutant · the same entry in another collection · chain A against A, TM-score 1.00
- P9WNS5 · AlphaFold monomer V2.0 prediction for deoxyuridine 5'-triphosphate nucleotidohydrolase… · a predicted model of the same protein · chain A against A, TM-score 0.93
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 P9WNS5
- Elsewhere: RCSB PDB 5ECT · PDBe 5ECT · UniProt P9WNS5
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