MolNFT v1 · #80675 · protein
Crystal structure of a putative oxidoreductase from sinorhizobium meliloti 1021
3U3X: “Crystal structure of a putative oxidoreductase from sinorhizobium meliloti 1021”. X-ray diffraction, 16 pockets (best druggability 0.85). MolNFT v1 #80675 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3U3X
- Type
- protein
- Length
- 1,650 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Oxidoreductase
- EC
- 1.-.-.-
- UniProt
- Q92T66
- Pockets
- 16 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D, G, J, M | Oxidoreductase (EC 1.-.-.-) | protein | 330 | 36% helix, 24% strand | Q92T66 |
Ligands and binding sites
- ACT · Acetate ion · additive · 2 copies · chains A, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1183 | 0.85 | 0.86 | 134 | empty |
| 2 | 937 | 0.82 | 0.83 | 88 | ACT |
| 3 | 673 | 0.80 | 0.84 | 69 | empty |
| 4 | 81 | 0.77 | 0.99 | 26 | empty |
| 5 | 59 | 0.74 | 1.00 | 21 | empty |
Interfaces
4 interfaces between chains.
- G–J · 1736 Ų buried · 17 hydrogen bonds · protein-protein
- A–D · 1732 Ų buried · 19 hydrogen bonds · protein-protein
- A–G · 508 Ų buried · 2 hydrogen bonds · protein-protein
- J–M · 322 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 30 modified (engineered).
Compared structures
- 3U3X · Crystal structure of a putative oxidoreductase from Sinorhizobium meliloti 1021 · 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 Q92T66
- Elsewhere: RCSB PDB 3U3X · PDBe 3U3X · UniProt Q92T66
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