Research workbench
Crystal structure of the computationally designed serine hydrolase. northeast structural genomics consortium (nesg) target OR317
Analyse Crystal structure of the computationally designed serine hydrolase. northeast… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4K0C
- Type
- protein
- Length
- 321 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Designed serine hydrolase
- Pockets
- 2 · best druggability 0.53
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Designed serine hydrolase | protein | 160 | 35% helix, 23% strand | — |
| B | Designed serine hydrolase | protein | 161 | 40% helix, 23% strand | — |
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 199 | 0.53 | 0.78 | 27 | empty |
| 2 | 53 | 0.40 | 0.81 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 345 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 2 modified (engineered).
Compared structures
- 4K0C · Crystal Structure of the computationally designed serine hydrolase. Northeast Structural… · 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
- Elsewhere: RCSB PDB 4K0C · PDBe 4K0C
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