MolNFT v1 · #126959 · protein
Crystal structure of carboxyl esterase 2 (TMELEST2) from mycorrhizal fungus tuber melanosporum
5MII: “Crystal structure of carboxyl esterase 2 (TMELEST2) from mycorrhizal fungus tuber melanosporum”. X-ray diffraction, 15 pockets (best druggability 0.79). MolNFT v1 #126959 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5MII
- Type
- protein
- Length
- 1,224 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carboxyl esterase 2
- UniProt
- D5GA36
- Pockets
- 15 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D | Carboxyl esterase 2 | protein | 307 | 38% helix, 21% strand | D5GA36 |
| C | Carboxyl esterase 2 | protein | 303 | 38% helix, 20% strand | D5GA36 |
Pockets
15 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 878 | 0.79 | 0.81 | 107 | empty |
| 2 | 451 | 0.71 | 0.81 | 38 | empty |
| 3 | 448 | 0.70 | 0.81 | 40 | empty |
| 4 | 447 | 0.69 | 0.80 | 39 | empty |
| 5 | 430 | 0.68 | 0.80 | 36 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1401 Ų buried · 15 hydrogen bonds · protein-protein
- B–D · 1386 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 731 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (nonstandard).
Compared structures
- 5MII · Crystal structure of carboxyl esterase 2 (TmelEST2) from mycorrhizal fungus Tuber… · 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 D5GA36
- Elsewhere: RCSB PDB 5MII · PDBe 5MII · UniProt D5GA36
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