MolNFT v1 · #142053 · protein
M. smegmatis antimutator protein MUTT2 in complex with 5MDCTP
5ZRO · Putative mutator protein MUTT2/NUDIX hydrolase: “M. smegmatis antimutator protein MUTT2 in complex with 5MDCTP”. X-ray diffraction, 1 ligand (523), 2 pockets (best druggability 0.51). MolNFT v1 #142053 on GenesisL1: 3D structure…
- PDB
- 5ZRO
- Type
- protein
- Length
- 257 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative mutator protein MUTT2/NUDIX hydrolase
- UniProt
- I7FJF7
- Ligands
- 523
- Pockets
- 2 · best druggability 0.51
Structure
x-ray diffraction · 2 distinct chains · 23% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative mutator protein MUTT2/NUDIX hydrolase | protein | 128 | 23% helix, 42% strand | I7FJF7 |
| B | Putative mutator protein MUTT2/NUDIX hydrolase | protein | 129 | 23% helix, 40% strand | I7FJF7 |
Ligands and binding sites
- 523 · 2'-deoxy-5-methylcytidine 5'-(tetrahydrogen triphosphate) · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 149 | 0.51 | 0.79 | 24 | 523 |
| 2 | 119 | 0.48 | 0.79 | 24 | 523 |
Interfaces
1 interface between chains.
- A–B · 187 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5ZRO · M. smegmatis antimutator protein MutT2 in complex with 5mdCTP · 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 I7FJF7
- Elsewhere: RCSB PDB 5ZRO · PDBe 5ZRO · UniProt I7FJF7
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