MolNFT v1 · #99350 · protein
Crystal structure of 2-chloromuconate cycloisomerase from rhodococcus opacus 1CP
4M0X: “Crystal structure of 2-chloromuconate cycloisomerase from rhodococcus opacus 1CP”. X-ray diffraction, 2 ligands (MN, CL), 4 pockets (best druggability 0.82). MolNFT v1 #99350 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4M0X
- Type
- protein
- Length
- 730 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chloromuconate cycloisomerase
- UniProt
- Q8G9L1
- Ligands
- MN, CL
- Pockets
- 4 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chloromuconate cycloisomerase | protein | 369 | 41% helix, 22% strand | Q8G9L1 |
| B | Chloromuconate cycloisomerase | protein | 361 | 41% helix, 21% strand | Q8G9L1 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1156 | 0.82 | 0.83 | 112 | empty |
| 2 | 168 | 0.62 | 0.84 | 32 | empty |
| 3 | 314 | 0.61 | 0.78 | 41 | empty |
| 4 | 51 | 0.32 | 0.77 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 922 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 4M0X · Crystal structure of 2-chloromuconate cycloisomerase from Rhodococcus opacus 1CP · 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 Q8G9L1
- Elsewhere: RCSB PDB 4M0X · PDBe 4M0X · UniProt Q8G9L1
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