MolNFT v1 · #184743 · protein
DENOVOTIM13-sb, a de novo designed tim barrel with a salt-bridge cluster
7P12: “DENOVOTIM13-sb, a de novo designed tim barrel with a salt-bridge cluster”. X-ray diffraction, 2 ligands (CL, PO4), 1 pocket (best druggability 0.36). MolNFT v1 #184743 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7P12
- Type
- protein
- Length
- 184 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DENOVOTIM13-sb
- Ligands
- CL, PO4
- Pockets
- 1 · best druggability 0.36
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DENOVOTIM13-sb | protein | 184 | 49% helix, 21% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 53 | 0.36 | 0.79 | 14 | CL |
Compared structures
- 7P12 · DeNovoTIM13-SB, a de novo designed TIM barrel with a salt-bridge cluster · 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 7P12 · PDBe 7P12
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