MolNFT v1 · #122468 · protein
Crystal structure of esterase mutant - L255W
5IQ2: “Crystal structure of esterase mutant - L255W”. X-ray diffraction, 18 pockets (best druggability 0.75). MolNFT v1 #122468 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5IQ2
- Type
- protein
- Length
- 1,421 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Esterase
- UniProt
- Q4TZQ3
- Pockets
- 18 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Esterase | protein | 359 | 40% helix, 18% strand | Q4TZQ3 |
| B, C, D | Esterase | protein | 354 | 40% helix, 18% strand | Q4TZQ3 |
Pockets
18 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 64 | 0.75 | 0.99 | 23 | empty |
| 2 | 71 | 0.75 | 0.98 | 21 | empty |
| 3 | 60 | 0.74 | 0.99 | 23 | empty |
| 4 | 617 | 0.74 | 0.81 | 59 | empty |
| 5 | 57 | 0.72 | 0.98 | 22 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1403 Ų buried · 21 hydrogen bonds · protein-protein
- C–D · 1082 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 363 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 5IQ2 · Crystal structure of Esterase mutant - L255W · 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 Q4TZQ3
- Elsewhere: RCSB PDB 5IQ2 · PDBe 5IQ2 · UniProt Q4TZQ3
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