MolNFT v1 · #79785 · protein
Crystal structure of hsc at pH 9.0
3TDO · Putative FORMATE/NITRITE transporter: “Crystal structure of hsc at pH 9.0”. X-ray diffraction, 19 pockets (best druggability 0.80). MolNFT v1 #79785 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3TDO
- Type
- protein
- Length
- 1,294 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative FORMATE/NITRITE transporter
- UniProt
- Q186B7
- Pockets
- 19 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D, E | Putative FORMATE/NITRITE transporter | protein | 257 | 81% helix, 0% strand | Q186B7 |
| C | Putative FORMATE/NITRITE transporter | protein | 266 | 78% helix, 0% strand | Q186B7 |
Ligands and binding sites
- PG4 · Tetraethylene glycol · additive · 5 copies · chains A, B, E, C, D
- BOG · octyl beta-D-glucopyranoside · additive · 5 copies · chains A, B, C, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1096 | 0.80 | 0.81 | 74 | BOG |
| 2 | 307 | 0.66 | 0.81 | 36 | PG4 |
| 3 | 307 | 0.66 | 0.81 | 37 | PG4 |
| 4 | 322 | 0.66 | 0.81 | 38 | PG4 |
| 5 | 333 | 0.66 | 0.80 | 34 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1725 Ų buried · 9 hydrogen bonds · protein-protein
- C–E · 1630 Ų buried · 10 hydrogen bonds · protein-protein
- A–D · 1613 Ų buried · 11 hydrogen bonds · protein-protein
- B–E · 1610 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 1591 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 3TDO · Crystal structure of HSC at pH 9.0 · 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 Q186B7
- Elsewhere: RCSB PDB 3TDO · PDBe 3TDO · UniProt Q186B7
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