MolNFT v1 · #24956 · protein
Crystal structure of protein L-isoaspartate O-methyltransferase homologue from sulfolobus tokodaii
1VBF · 231AA long hypothetical protein-L-isoaspartate O…: “Crystal structure of protein L-isoaspartate O-methyltransferase homologue from sulfolobus tokodaii”. X-ray diffraction, 11 pockets (best druggability 0.66). MolNFT v1 #24956 on…
- PDB
- 1VBF
- Type
- protein
- Length
- 898 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 231AA long hypothetical protein-L-isoaspartate O- methyltransferase
- EC
- 2.1.1.77
- UniProt
- Q972K9
- Pockets
- 11 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D | 231AA long hypothetical protein-L-isoaspartate O- methyltransferase (EC 2.1.1.77) | protein | 224 | 35% helix, 26% strand | Q972K9 |
| B | 231AA long hypothetical protein-L-isoaspartate O- methyltransferase (EC 2.1.1.77) | protein | 226 | 34% helix, 26% strand | Q972K9 |
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 229 | 0.66 | 0.84 | 40 | empty |
| 2 | 228 | 0.65 | 0.83 | 42 | empty |
| 3 | 232 | 0.65 | 0.83 | 38 | empty |
| 4 | 244 | 0.65 | 0.83 | 38 | empty |
| 5 | 173 | 0.50 | 0.78 | 27 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1187 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 1168 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 319 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified, 2 disulfide (engineered, disulfide).
Compared structures
- 1VBF · Crystal structure of protein L-isoaspartate O-methyltransferase homologue from Sulfolobus… · 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 Q972K9
- Elsewhere: RCSB PDB 1VBF · PDBe 1VBF · UniProt Q972K9
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