Research workbench
Crystal structure of the maleate isomerase ISO(C200A) from pseudomonas putida S16 with maleate
Analyse Crystal structure of the maleate isomerase ISO(C200A) from pseudomonas putida… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FQ5
- Type
- protein
- Length
- 497 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Maleate cis-trans isomerase
- UniProt
- F8G0M3
- Ligands
- MAE
- Pockets
- 3 · best druggability 0.58
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Maleate cis-trans isomerase | protein | 250 | 46% helix, 20% strand | F8G0M3 |
| A | Maleate cis-trans isomerase | protein | 247 | 47% helix, 19% strand | F8G0M3 |
Ligands and binding sites
- MAE · Maleic acid · ligand · 2 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 321 | 0.58 | 0.77 | 38 | empty |
| 2 | 71 | 0.36 | 0.77 | 15 | empty |
| 3 | 65 | 0.32 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- B–A · 1067 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 4FQ5 · Crystal structure of the maleate isomerase Iso(C200A) from Pseudomonas putida S16 with… · 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 F8G0M3
- Elsewhere: RCSB PDB 4FQ5 · PDBe 4FQ5 · UniProt F8G0M3
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