MolNFT v1 · #185655 · protein
Crystal structure of chaetomium thermophilum C30S AHP1 in post- reaction state
7Q6A · Thioredoxin domain-containing protein: “Crystal structure of chaetomium thermophilum C30S AHP1 in post- reaction state”. X-ray diffraction, 1 ligand (SO4), 5 pockets (best druggability 0.62). MolNFT v1 #185655 on GenesisL1: 3D…
- PDB
- 7Q6A
- Type
- protein
- Length
- 335 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin domain-containing protein
- UniProt
- G0S1P8
- Ligands
- SO4
- Pockets
- 5 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 30% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioredoxin domain-containing protein | protein | 168 | 30% helix, 26% strand | G0S1P8 |
| B | Thioredoxin domain-containing protein | protein | 167 | 30% helix, 26% strand | G0S1P8 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 53 | 0.62 | 0.93 | 20 | empty |
| 2 | 60 | 0.61 | 0.92 | 23 | empty |
| 3 | 183 | 0.47 | 0.76 | 26 | GOL |
| 4 | 77 | 0.29 | 0.73 | 26 | SO4 |
| 5 | 56 | 0.26 | 0.73 | 18 | SO4 |
Interfaces
1 interface between chains.
- A–B · 755 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 7Q6A · Crystal structure of Chaetomium thermophilum C30S Ahp1 in post-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 7Q6A · PDBe 7Q6A · UniProt G0S1P8
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