MolNFT v1 · #99683 · protein
Crystal structure of a putative fumarylpyruvate hydrolase from burkholderia cenocepacia
4MAQ: “Crystal structure of a putative fumarylpyruvate hydrolase from burkholderia cenocepacia”. X-ray diffraction, 5 pockets (best druggability 0.70). MolNFT v1 #99683 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4MAQ
- Type
- protein
- Length
- 454 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative fumarylpyruvate hydrolase
- UniProt
- B4EKU2
- Pockets
- 5 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 19% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative fumarylpyruvate hydrolase | protein | 224 | 19% helix, 38% strand | B4EKU2 |
| B | Putative fumarylpyruvate hydrolase | protein | 230 | 18% helix, 37% strand | B4EKU2 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 322 | 0.70 | 0.84 | 66 | EDO |
| 2 | 159 | 0.52 | 0.79 | 19 | empty |
| 3 | 127 | 0.50 | 0.79 | 16 | empty |
| 4 | 89 | 0.38 | 0.76 | 17 | empty |
| 5 | 71 | 0.31 | 0.74 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 2272 Ų buried · 40 hydrogen bonds · protein-protein
Compared structures
- 4MAQ · Crystal Structure of a putative fumarylpyruvate hydrolase from Burkholderia cenocepacia · 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 B4EKU2
- Elsewhere: RCSB PDB 4MAQ · PDBe 4MAQ · UniProt B4EKU2
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