MolNFT v1 · #49962 · protein
Crystal structure of MTH_862 protein of unknown function from methanothermobacter thermautotrophicus
2R47 · Uncharacterized protein MTH_862: “Crystal structure of MTH_862 protein of unknown function from methanothermobacter thermautotrophicus”. X-ray diffraction, 1 ligand (SO4), 9 pockets (best druggability 0.78). MolNFT v1 #49962 on…
- PDB
- 2R47
- Type
- protein
- Length
- 773 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein MTH_862
- UniProt
- O26950
- Ligands
- SO4
- Pockets
- 9 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 31% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, E | Uncharacterized protein MTH_862 | protein | 155 | 31% helix, 41% strand | O26950 |
| D | Uncharacterized protein MTH_862 | protein | 153 | 31% helix, 42% strand | O26950 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 5 copies · chains A, B, C, E, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 334 | 0.78 | 0.88 | 47 | SO4 |
| 2 | 340 | 0.71 | 0.83 | 39 | SO4 |
| 3 | 104 | 0.69 | 0.92 | 26 | empty |
| 4 | 187 | 0.59 | 0.82 | 49 | empty |
| 5 | 60 | 0.57 | 0.90 | 22 | empty |
Interfaces
8 interfaces between chains.
- A–B · 2725 Ų buried · 48 hydrogen bonds · protein-protein
- D–E · 2708 Ų buried · 45 hydrogen bonds · protein-protein
- A–D · 636 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 635 Ų buried · 5 hydrogen bonds · protein-protein
- B–E · 608 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 modified (oxidation).
Compared structures
- 2R47 · Crystal structure of MTH_862 protein of unknown function from Methanothermobacter… · the same entry in another collection · chain B against B, TM-score 1.00
- O26950 · AlphaFold monomer V2.0 prediction for uncharacterized protein MTH_862 (O26950) · a predicted model of the same protein · chain D against A, TM-score 0.97
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 O26950
- Elsewhere: RCSB PDB 2R47 · PDBe 2R47 · UniProt O26950
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