Research workbench
Crystal structure of maleylacetate reductase from rhizobium sp. strain mtp-10005
Analyse Crystal structure of maleylacetate reductase from rhizobium sp. strain mtp-10005 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3W5S
- Type
- protein
- Length
- 700 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Maleylacetate reductase
- EC
- 1.3.1.32
- UniProt
- A1IIX4
- Ligands
- BEN, SO4
- Pockets
- 8 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 58% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Maleylacetate reductase (EC 1.3.1.32) | protein | 350 | 58% helix, 13% strand | A1IIX4 |
Ligands and binding sites
- BEN · Benzamidine · ligand · 2 copies · chains A
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 332 | 0.76 | 0.87 | 44 | SO4, BEN, GOL |
| 2 | 732 | 0.70 | 0.77 | 74 | SO4 |
| 3 | 219 | 0.68 | 0.85 | 28 | empty |
| 4 | 273 | 0.67 | 0.83 | 41 | empty |
| 5 | 169 | 0.43 | 0.74 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1189 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 3W5S · Crystal Structure of Maleylacetate Reductase from Rhizobium sp. strain MTP-10005 · 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 A1IIX4
- Elsewhere: RCSB PDB 3W5S · PDBe 3W5S · UniProt A1IIX4
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