MolNFT v1 · #187668 · protein
Crystal structure of IS11, a thermophilic esterase
7SPN: “Crystal structure of IS11, a thermophilic esterase”. X-ray diffraction, 6 pockets (best druggability 0.86). MolNFT v1 #187668 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7SPN
- Type
- protein
- Length
- 911 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- IS11
- UniProt
- A0A7C2VFT1
- Pockets
- 6 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | IS11 | protein | 456 | 29% helix, 27% strand | A0A7C2VFT1 |
| B | IS11 | protein | 455 | 28% helix, 26% strand | A0A7C2VFT1 |
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1183 | 0.86 | 0.87 | 89 | empty |
| 2 | 1083 | 0.86 | 0.87 | 90 | empty |
| 3 | 60 | 0.73 | 0.99 | 20 | empty |
| 4 | 273 | 0.71 | 0.85 | 46 | empty |
| 5 | 176 | 0.44 | 0.74 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1046 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 7SPN · Crystal structure of IS11, a thermophilic esterase · 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 A0A7C2VFT1
- Elsewhere: RCSB PDB 7SPN · PDBe 7SPN · UniProt A0A7C2VFT1
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