MolNFT v1 · #10899 · protein
Crystal structure of uronate isomerase (TM0064) from thermotoga maritima at 2.85 a resolution
1J5S: “Crystal structure of uronate isomerase (TM0064) from thermotoga maritima at 2.85 a resolution”. X-ray diffraction, 15 pockets (best druggability 0.88). MolNFT v1 #10899 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1J5S
- Type
- protein
- Length
- 1,351 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uronate isomerase
- EC
- 5.3.1.12
- UniProt
- Q9WXR9
- Pockets
- 15 · best druggability 0.88
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uronate isomerase (EC 5.3.1.12) | protein | 451 | 54% helix, 8% strand | Q9WXR9 |
| B, C | Uronate isomerase (EC 5.3.1.12) | protein | 450 | 54% helix, 8% strand | Q9WXR9 |
Pockets
15 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 535 | 0.88 | 0.94 | 64 | empty |
| 2 | 696 | 0.79 | 0.83 | 77 | empty |
| 3 | 681 | 0.73 | 0.79 | 78 | empty |
| 4 | 685 | 0.70 | 0.78 | 66 | empty |
| 5 | 513 | 0.63 | 0.76 | 52 | empty |
Interfaces
3 interfaces between chains.
- A–C · 2138 Ų buried · 40 hydrogen bonds · protein-protein
- A–B · 2071 Ų buried · 36 hydrogen bonds · protein-protein
- B–C · 2020 Ų buried · 39 hydrogen bonds · protein-protein
Compared structures
- 1J5S · Crystal structure of uronate isomerase (TM0064) from Thermotoga maritima at 2.85 A… · the same entry in another collection · chain B against B, TM-score 1.00
- Q9WXR9 · AlphaFold monomer V2.0 prediction for uronate isomerase (Q9WXR9) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q9WXR9
- Elsewhere: RCSB PDB 1J5S · PDBe 1J5S · UniProt Q9WXR9
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