MolNFT v1 · #74025 · protein
Crystal structure of unliganded S25-39
3OKM · S25-39 Fab (IGG1K) light chain: “Crystal structure of unliganded S25-39”. X-ray diffraction, 3 pockets (best druggability 0.60). MolNFT v1 #74025 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3OKM
- Type
- protein
- Length
- 430 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- S25-39 Fab (IGG1K) light chain; S25-39 Fab (IGG1K) heavy chain
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 8% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | S25-39 Fab (IGG1K) light chain | protein | 215 | 7% helix, 49% strand | — |
| B | S25-39 Fab (IGG1K) heavy chain | protein | 215 | 10% helix, 51% strand | — |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 510 | 0.60 | 0.74 | 49 | empty |
| 2 | 90 | 0.32 | 0.73 | 18 | empty |
| 3 | 79 | 0.30 | 0.73 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1830 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3OKM · Crystal structure of unliganded S25-39 · 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 3OKM · PDBe 3OKM
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