Research workbench
3-carboxy-CIS,CIS-muconate lactonizing enzyme from agrobacterium radiobacter S2
Analyse 3-carboxy-CIS,CIS-muconate lactonizing enzyme from agrobacterium radiobacter S2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2FEL
- Type
- protein
- Length
- 4,053 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-carboxy-CIS,CIS-muconate lactonizing enzyme
- UniProt
- Q2HNZ1
- Ligands
- SO4, CL
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 3 distinct chains · 68% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D, C, I, K | 3-carboxy-CIS,CIS-muconate lactonizing enzyme | protein | 337 | 69% helix, 7% strand | Q2HNZ1 |
| B, F | 3-carboxy-CIS,CIS-muconate lactonizing enzyme | protein | 339 | 68% helix, 7% strand | Q2HNZ1 |
| E, G, H, J, L | 3-carboxy-CIS,CIS-muconate lactonizing enzyme | protein | 338 | 67% helix, 7% strand | Q2HNZ1 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 12 copies · chains A, D, B, C, E, F, G, H, I, L, J, K
- CL · Chloride ion · ion · 11 copies · chains A, B, D, C, F, G, E, H, I, J, L, K
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 130 | 0.81 | 0.98 | 36 | empty |
| 2 | 139 | 0.81 | 0.98 | 36 | empty |
| 3 | 113 | 0.81 | 0.99 | 26 | empty |
| 4 | 114 | 0.80 | 0.99 | 24 | empty |
| 5 | 113 | 0.80 | 0.99 | 22 | empty |
Interfaces
25 interfaces between chains.
- L–K · 2576 Ų buried · 48 hydrogen bonds · protein-protein
- I–J · 2575 Ų buried · 48 hydrogen bonds · protein-protein
- D–C · 2572 Ų buried · 46 hydrogen bonds · protein-protein
- F–G · 2572 Ų buried · 49 hydrogen bonds · protein-protein
- E–H · 2564 Ų buried · 47 hydrogen bonds · protein-protein
Compared structures
- 2FEL · 3-carboxy-cis,cis-muconate lactonizing enzyme from Agrobacterium radiobacter S2 · 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 Q2HNZ1
- Elsewhere: RCSB PDB 2FEL · PDBe 2FEL · UniProt Q2HNZ1
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