MolNFT v1 · #185654 · protein
Crystal structure of chaetomium thermophilum C30S AHP1 in the pre- reaction state
7Q69 · Thioredoxin domain-containing protein: “Crystal structure of chaetomium thermophilum C30S AHP1 in the pre- reaction state”. X-ray diffraction, 1 ligand (SO4), 8 pockets (best druggability 0.74). MolNFT v1 #185654 on GenesisL1: 3D…
- PDB
- 7Q69
- Type
- protein
- Length
- 676 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin domain-containing protein
- UniProt
- G0S1P8
- Ligands
- SO4
- Pockets
- 8 · best druggability 0.74
Structure
x-ray diffraction · 4 distinct chains · 30% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioredoxin domain-containing protein | protein | 174 | 30% helix, 25% strand | G0S1P8 |
| B | Thioredoxin domain-containing protein | protein | 169 | 31% helix, 27% strand | G0S1P8 |
| C | Thioredoxin domain-containing protein | protein | 167 | 31% helix, 26% strand | G0S1P8 |
| D | Thioredoxin domain-containing protein | protein | 166 | 30% helix, 27% strand | G0S1P8 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 10 copies · chains A, B, C, D
- GOL · Glycerol · additive · 3 copies · chains B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 190 | 0.74 | 0.90 | 44 | empty |
| 2 | 415 | 0.62 | 0.77 | 34 | SO4 |
| 3 | 57 | 0.61 | 0.92 | 21 | empty |
| 4 | 65 | 0.56 | 0.88 | 20 | empty |
| 5 | 141 | 0.44 | 0.77 | 20 | empty |
Interfaces
3 interfaces between chains.
- C–D · 770 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 741 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 518 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 7Q69 · Crystal structure of Chaetomium thermophilum C30S Ahp1 in the pre-reaction state · 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 G0S1P8
- Elsewhere: RCSB PDB 7Q69 · PDBe 7Q69 · UniProt G0S1P8
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