Research workbench
Crystal structure of CG10062 inactivated BY(R)-oxirane-2-carboxylate
Analyse Crystal structure of CG10062 inactivated BY(R)-oxirane-2-carboxylate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3N4D
- Type
- protein
- Length
- 1,301 residues
- Chains
- 9
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative tautomerase
- EC
- 3.8.1.-
- UniProt
- Q8NU77
- Pockets
- 18 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 42% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D, E, F, G, I | Putative tautomerase (EC 3.8.1.-) | protein | 145 | 41% helix, 28% strand | Q8NU77 |
| C | Putative tautomerase (EC 3.8.1.-) | protein | 146 | 44% helix, 27% strand | Q8NU77 |
| H | Putative tautomerase (EC 3.8.1.-) | protein | 140 | 41% helix, 29% strand | Q8NU77 |
Pockets
18 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 71 | 0.74 | 0.98 | 17 | empty |
| 2 | 372 | 0.69 | 0.82 | 38 | empty |
| 3 | 352 | 0.66 | 0.80 | 47 | empty |
| 4 | 225 | 0.60 | 0.80 | 27 | empty |
| 5 | 169 | 0.55 | 0.81 | 33 | empty |
Interfaces
16 interfaces between chains.
- D–F · 1458 Ų buried · 19 hydrogen bonds · protein-protein
- G–I · 1454 Ų buried · 29 hydrogen bonds · protein-protein
- A–B · 1439 Ų buried · 24 hydrogen bonds · protein-protein
- B–C · 1424 Ų buried · 27 hydrogen bonds · protein-protein
- A–C · 1424 Ų buried · 25 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 modified (nonstandard).
Compared structures
- 3N4D · Crystal structure of Cg10062 inactivated by(R)-oxirane-2-carboxylate · 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 Q8NU77
- Elsewhere: RCSB PDB 3N4D · PDBe 3N4D · UniProt Q8NU77
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