Research workbench
Crystal structure of a hexachlorocyclohexane dehydrochlorinase (lina) TYPE2
Analyse Crystal structure of a hexachlorocyclohexane dehydrochlorinase (lina) TYPE2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3S5C
- Type
- protein
- Length
- 1,049 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lina
- EC
- 4.5.1.-
- UniProt
- B5ANU3
- Pockets
- 19 · best druggability 0.85
Structure
x-ray diffraction · 5 distinct chains · 29% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Lina (EC 4.5.1.-) | protein | 148 | 31% helix, 51% strand | B5ANU3 |
| A, C, G | Lina (EC 4.5.1.-) | protein | 150 | 29% helix, 46% strand | B5ANU3 |
| D | Lina (EC 4.5.1.-) | protein | 152 | 31% helix, 49% strand | B5ANU3 |
| E | Lina (EC 4.5.1.-) | protein | 153 | 27% helix, 48% strand | B5ANU3 |
| F | Lina (EC 4.5.1.-) | protein | 146 | 28% helix, 50% strand | B5ANU3 |
Pockets
19 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 365 | 0.85 | 0.94 | 34 | empty |
| 2 | 115 | 0.81 | 0.97 | 18 | empty |
| 3 | 199 | 0.81 | 0.95 | 29 | empty |
| 4 | 112 | 0.80 | 0.97 | 21 | empty |
| 5 | 140 | 0.74 | 0.93 | 14 | empty |
Interfaces
9 interfaces between chains.
- A–E · 1201 Ų buried · 16 hydrogen bonds · protein-protein
- D–F · 1143 Ų buried · 15 hydrogen bonds · protein-protein
- D–G · 1122 Ų buried · 15 hydrogen bonds · protein-protein
- C–E · 1121 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 1113 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 3S5C · Crystal Structure of a Hexachlorocyclohexane dehydrochlorinase (LinA) Type2 · 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 B5ANU3
- Elsewhere: RCSB PDB 3S5C · PDBe 3S5C · UniProt B5ANU3
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