MolNFT v1 · #46463 · protein
Crystal structure of a putative sarcosine dimethylglycine methyltransferase from galdieria sulphuraria
2O57: “Crystal structure of a putative sarcosine dimethylglycine methyltransferase from galdieria sulphuraria”. X-ray diffraction, 12 pockets (best druggability 0.80). MolNFT v1 #46463 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2O57
- Type
- protein
- Length
- 1,092 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative sarcosine dimethylglycine methyltransferase
- Pockets
- 12 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 49% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative sarcosine dimethylglycine methyltransferase | protein | 282 | 51% helix, 20% strand | — |
| B | Putative sarcosine dimethylglycine methyltransferase | protein | 273 | 49% helix, 20% strand | — |
| C | Putative sarcosine dimethylglycine methyltransferase | protein | 272 | 49% helix, 21% strand | — |
| D | Putative sarcosine dimethylglycine methyltransferase | protein | 265 | 47% helix, 21% strand | — |
Pockets
12 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 736 | 0.80 | 0.84 | 53 | empty |
| 2 | 575 | 0.79 | 0.85 | 51 | empty |
| 3 | 949 | 0.79 | 0.81 | 131 | empty |
| 4 | 669 | 0.78 | 0.83 | 48 | empty |
| 5 | 738 | 0.77 | 0.81 | 49 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1255 Ų buried · 26 hydrogen bonds · protein-protein
- A–B · 1208 Ų buried · 23 hydrogen bonds · protein-protein
- B–C · 397 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 344 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 12 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 modified (engineered).
Compared structures
- 2O57 · Crystal Structure of a putative sarcosine dimethylglycine methyltransferase from… · 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
- Elsewhere: RCSB PDB 2O57 · PDBe 2O57
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