Research workbench
Crystal structure of 5-chloromuconolactone isomerase from rhodococcus opacus 1CP
Analyse Crystal structure of 5-chloromuconolactone isomerase from rhodococcus opacus 1CP in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FPI
- Type
- protein
- Length
- 1,876 residues
- Chains
- 20
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5-chloromuconolactone dehalogenase
- EC
- 5.3.3.4
- UniProt
- Q8G9L0
- Pockets
- 20 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, F, G, H, I, J, K, L, M, N, O, P, R, S, T, U | 5-chloromuconolactone dehalogenase (EC 5.3.3.4) | protein | 94 | 34% helix, 33% strand | Q8G9L0 |
| E | 5-chloromuconolactone dehalogenase (EC 5.3.3.4) | protein | 90 | 33% helix, 33% strand | Q8G9L0 |
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 | 661 | 0.66 | 0.75 | 64 | empty |
| 2 | 115 | 0.60 | 0.85 | 19 | empty |
| 3 | 360 | 0.59 | 0.76 | 49 | empty |
| 4 | 133 | 0.59 | 0.84 | 19 | empty |
| 5 | 100 | 0.58 | 0.86 | 19 | empty |
Interfaces
43 interfaces between chains.
- C–D · 1415 Ų buried · 27 hydrogen bonds · protein-protein
- G–H · 1406 Ų buried · 28 hydrogen bonds · protein-protein
- I–J · 1400 Ų buried · 33 hydrogen bonds · protein-protein
- T–U · 1396 Ų buried · 28 hydrogen bonds · protein-protein
- A–B · 1394 Ų buried · 28 hydrogen bonds · protein-protein
Compared structures
- 4FPI · Crystal Structure of 5-chloromuconolactone isomerase from Rhodococcus opacus 1CP · 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 Q8G9L0
- Elsewhere: RCSB PDB 4FPI · PDBe 4FPI · UniProt Q8G9L0
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