MolNFT v1 · #35756 · protein
Crystal structure of hypothetical protein MJ1052 from methanocaldococcus jannaschii (form 1)
2EKY · UPF0045 protein MJ1052: “Crystal structure of hypothetical protein MJ1052 from methanocaldococcus jannaschii (form 1)”. X-ray diffraction, 16 pockets (best druggability 0.83). MolNFT v1 #35756 on GenesisL1: 3D structure, binding…
- PDB
- 2EKY
- Type
- protein
- Length
- 781 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- UPF0045 protein MJ1052
- UniProt
- Q58452
- Pockets
- 16 · best druggability 0.83
Structure
x-ray diffraction · 5 distinct chains · 35% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, F | UPF0045 protein MJ1052 | protein | 97 | 35% helix, 33% strand | Q58452 |
| B | UPF0045 protein MJ1052 | protein | 100 | 36% helix, 33% strand | Q58452 |
| C | UPF0045 protein MJ1052 | protein | 99 | 34% helix, 33% strand | Q58452 |
| D, E | UPF0045 protein MJ1052 | protein | 98 | 35% helix, 35% strand | Q58452 |
| G, H | UPF0045 protein MJ1052 | protein | 96 | 35% helix, 33% strand | Q58452 |
Pockets
16 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 218 | 0.83 | 0.96 | 42 | empty |
| 2 | 182 | 0.80 | 0.95 | 30 | empty |
| 3 | 157 | 0.80 | 0.96 | 31 | empty |
| 4 | 184 | 0.79 | 0.94 | 35 | empty |
| 5 | 152 | 0.79 | 0.95 | 30 | empty |
Interfaces
15 interfaces between chains.
- F–H · 1231 Ų buried · 35 hydrogen bonds · protein-protein
- E–G · 1229 Ų buried · 32 hydrogen bonds · protein-protein
- A–C · 1225 Ų buried · 37 hydrogen bonds · protein-protein
- B–D · 1213 Ų buried · 33 hydrogen bonds · protein-protein
- E–F · 1143 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 2EKY · Crystal Structure of hypothetical protein MJ1052 from Methanocaldococcus jannaschii (Form… · the same entry in another collection · chain F against F, TM-score 1.00
- Q58452 · AlphaFold monomer V2.0 prediction for UPF0045 protein MJ1052 (Q58452) · a predicted model of the same protein · chain G against A, TM-score 0.99
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 2EKY · PDBe 2EKY · UniProt Q58452
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