Research workbench
Crystal structure pf hypothetical protein MJ1052 from methanocaldococcus jannascii (form 2)
Analyse Crystal structure pf hypothetical protein MJ1052 from methanocaldococcus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2EPI
- Type
- protein
- Length
- 388 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- UPF0045 protein MJ1052
- UniProt
- Q58452
- Pockets
- 6 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 37% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | UPF0045 protein MJ1052 | protein | 98 | 35% helix, 36% strand | Q58452 |
| B | UPF0045 protein MJ1052 | protein | 96 | 39% helix, 35% strand | Q58452 |
| C, D | UPF0045 protein MJ1052 | protein | 97 | 37% helix, 34% strand | Q58452 |
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 306 | 0.83 | 0.94 | 63 | empty |
| 2 | 183 | 0.81 | 0.97 | 32 | empty |
| 3 | 148 | 0.79 | 0.96 | 30 | empty |
| 4 | 141 | 0.76 | 0.94 | 36 | empty |
| 5 | 78 | 0.34 | 0.75 | 15 | empty |
Interfaces
6 interfaces between chains.
- A–C · 1222 Ų buried · 33 hydrogen bonds · protein-protein
- B–D · 1207 Ų buried · 35 hydrogen bonds · protein-protein
- C–D · 1144 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 1092 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 455 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 2EPI · Crystal Structure pf hypothetical protein MJ1052 from Methanocaldococcus jannascii (Form… · the same entry in another collection · chain A against A, TM-score 1.00
- Q58452 · AlphaFold monomer V2.0 prediction for UPF0045 protein MJ1052 (Q58452) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 Q58452
- Elsewhere: RCSB PDB 2EPI · PDBe 2EPI · UniProt Q58452
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