MolNFT v1 · #96995 · protein
Crystal structure of the computationally designed serine hydrolase. northeast structural genomics consortium (nesg) target OR317
4K0C: “Crystal structure of the computationally designed serine hydrolase. northeast structural genomics consortium…”. X-ray diffraction, 2 pockets (best druggability 0.53). MolNFT v1 #96995 on GenesisL1: 3D structure, binding sites and…
- 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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