MolNFT v1 · #52887 · protein
Crystal structure of mycobacterium tuberculosis RV0376C homologue from mycobacterium smegmatis
2WE8 · Xanthine dehydrogenase: “Crystal structure of mycobacterium tuberculosis RV0376C homologue from mycobacterium smegmatis”. X-ray diffraction, 10 pockets (best druggability 0.77). MolNFT v1 #52887 on GenesisL1: 3D structure, binding…
- PDB
- 2WE8
- Type
- protein
- Length
- 680 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Xanthine dehydrogenase
- EC
- 1.17.1.4
- UniProt
- A0QQG1
- Pockets
- 10 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Xanthine dehydrogenase (EC 1.17.1.4) | protein | 345 | 36% helix, 25% strand | A0QQG1 |
| B | Xanthine dehydrogenase (EC 1.17.1.4) | protein | 335 | 33% helix, 24% strand | A0QQG1 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 83 | 0.77 | 0.98 | 24 | empty |
| 2 | 89 | 0.76 | 0.97 | 20 | empty |
| 3 | 108 | 0.60 | 0.87 | 25 | empty |
| 4 | 123 | 0.37 | 0.73 | 23 | empty |
| 5 | 93 | 0.35 | 0.74 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 387 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 2WE8 · Crystal structure of Mycobacterium tuberculosis Rv0376c homologue from Mycobacterium… · the same entry in another collection · chain B against B, 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 A0QQG1
- Elsewhere: RCSB PDB 2WE8 · PDBe 2WE8 · UniProt A0QQG1
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