MolNFT v1 · #185646 · protein
Crystal structure of chaetomium thermophilum AHP1-URM1 complex
7Q5N · Thioredoxin domain-containing protein: “Crystal structure of chaetomium thermophilum AHP1-URM1 complex”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.87). MolNFT v1 #185646 on GenesisL1: 3D structure, binding…
- PDB
- 7Q5N
- Type
- protein
- Length
- 1,641 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin domain-containing protein; Ubiquitin-related modifier 1
- UniProt
- G0S1P8, G0SE11
- Ligands
- ZN
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 7 distinct chains · 28% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioredoxin domain-containing protein | protein | 171 | 29% helix, 27% strand | G0S1P8 |
| B | Thioredoxin domain-containing protein | protein | 172 | 29% helix, 25% strand | G0S1P8 |
| C, E | Thioredoxin domain-containing protein | protein | 169 | 30% helix, 25% strand | G0S1P8 |
| D | Thioredoxin domain-containing protein | protein | 170 | 30% helix, 26% strand | G0S1P8 |
| F | Thioredoxin domain-containing protein | protein | 168 | 30% helix, 26% strand | G0S1P8 |
| G, J | Ubiquitin-related modifier 1 | protein | 103 | 17% helix, 36% strand | G0SE11 |
| H, I, K, L | Ubiquitin-related modifier 1 | protein | 104 | 23% helix, 37% strand | G0SE11 |
Ligands and binding sites
- ZN · Zinc ion · metal · 41 copies · chains A, B, C, I, D, E, F, H, G, K, L, J
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1074 | 0.87 | 0.88 | 142 | ZN |
| 2 | 706 | 0.82 | 0.86 | 93 | ZN |
| 3 | 619 | 0.77 | 0.83 | 75 | ZN |
| 4 | 229 | 0.69 | 0.85 | 43 | empty |
| 5 | 68 | 0.65 | 0.93 | 21 | empty |
Interfaces
35 interfaces between chains.
- I–L · 759 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 742 Ų buried · 4 hydrogen bonds · protein-protein
- E–F · 736 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 729 Ų buried · 5 hydrogen bonds · protein-protein
- G–J · 720 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 isopeptide, 6 modified (isopeptide, oxidation).
Compared structures
- 7Q5N · Crystal structure of Chaetomium thermophilum Ahp1-Urm1 complex · 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
- Every structure of UniProt G0SE11
- Elsewhere: RCSB PDB 7Q5N · PDBe 7Q5N · UniProt G0S1P8 · UniProt G0SE11
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.