MolNFT v1 · #105924 · protein
Crystal structure of unliganded, full length hugdh at pH 7.0
4RJT · Udp-glucose 6-dehydrogenase: “Crystal structure of unliganded, full length hugdh at pH 7.0”. X-ray diffraction, 1 ligand (CL), 12 pockets (best druggability 0.74). MolNFT v1 #105924 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4RJT
- Type
- protein
- Length
- 1,380 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Udp-glucose 6-dehydrogenase
- EC
- 1.1.1.22
- UniProt
- O60701
- Ligands
- CL
- Pockets
- 12 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 45% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Udp-glucose 6-dehydrogenase (EC 1.1.1.22) | protein | 459 | 45% helix, 15% strand | O60701 |
| B | Udp-glucose 6-dehydrogenase (EC 1.1.1.22) | protein | 460 | 44% helix, 15% strand | O60701 |
| C | Udp-glucose 6-dehydrogenase (EC 1.1.1.22) | protein | 461 | 45% helix, 15% strand | O60701 |
Ligands and binding sites
- CL · Chloride ion · ion · 4 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 787 | 0.74 | 0.79 | 81 | empty |
| 2 | 477 | 0.70 | 0.80 | 48 | empty |
| 3 | 492 | 0.69 | 0.80 | 52 | empty |
| 4 | 183 | 0.62 | 0.83 | 24 | empty |
| 5 | 389 | 0.61 | 0.77 | 52 | empty |
Interfaces
3 interfaces between chains.
- B–C · 719 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 717 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 701 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
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 O60701
- Elsewhere: RCSB PDB 4RJT · PDBe 4RJT · UniProt O60701
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