MolNFT v1 · #104665 · protein
Crystal structure of methanocaldococcus jannaschii selecase mutant I100F+H107F
4QHJ · Uncharacterized protein MJ1213: “Crystal structure of methanocaldococcus jannaschii selecase mutant I100F+H107F”. X-ray diffraction, 1 ligand (ZN), 3 pockets (best druggability 0.50). MolNFT v1 #104665 on GenesisL1: 3D structure…
- PDB
- 4QHJ
- Type
- protein
- Length
- 216 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein MJ1213
- UniProt
- Q58610
- Ligands
- ZN
- Pockets
- 3 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Uncharacterized protein MJ1213 | protein | 108 | 55% helix, 13% strand | Q58610 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B
- ACT · Acetate ion · additive · 5 copies · chains A, B
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 146 | 0.50 | 0.78 | 22 | ACT, GOL |
| 2 | 110 | 0.42 | 0.77 | 19 | ACT |
| 3 | 70 | 0.30 | 0.73 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1011 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4QHJ · Crystal structure of Methanocaldococcus jannaschii selecase mutant I100F+H107F · the same entry in another collection · chain B against B, TM-score 1.00
- Q58610 · AlphaFold monomer V2.0 prediction for uncharacterized protein MJ1213 (Q58610) · a predicted model of the same protein · chain A 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 Q58610
- Elsewhere: RCSB PDB 4QHJ · PDBe 4QHJ · UniProt Q58610
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