MolNFT v1 · #22287 · protein
Crystallographic structure of a putative chlorite dismutase
1T0T · APC35880: “Crystallographic structure of a putative chlorite dismutase”. X-ray diffraction, 1 ligand (MG), 20 pockets (best druggability 0.72). MolNFT v1 #22287 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1T0T
- Type
- protein
- Length
- 1,215 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- APC35880
- Ligands
- MG
- Pockets
- 20 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| V, W, X, Y, Z | APC35880 | protein | 243 | 41% helix, 30% strand | — |
Ligands and binding sites
- MG · Magnesium ion · metal · 5 copies · chains V, W, X, Y, Z
- P33 · 3,6,9,12,15,18-hexaoxaicosane-1,20-diol · additive · 5 copies · chains V, W, X, Y, Z
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 684 | 0.72 | 0.78 | 55 | P33 |
| 2 | 641 | 0.71 | 0.78 | 46 | P33 |
| 3 | 696 | 0.71 | 0.78 | 52 | P33 |
| 4 | 691 | 0.70 | 0.77 | 48 | P33 |
| 5 | 637 | 0.69 | 0.77 | 51 | P33 |
Interfaces
5 interfaces between chains.
- W–Y · 1734 Ų buried · 32 hydrogen bonds · protein-protein
- X–Y · 1713 Ų buried · 31 hydrogen bonds · protein-protein
- V–Z · 1710 Ų buried · 30 hydrogen bonds · protein-protein
- V–W · 1706 Ų buried · 32 hydrogen bonds · protein-protein
- X–Z · 1700 Ų buried · 32 hydrogen bonds · protein-protein
Compared structures
- 1T0T · Crystallographic structure of a putative chlorite dismutase · the same entry in another collection · chain V against V, 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 1T0T · PDBe 1T0T
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