MolNFT v1 · #98066 · protein
Humanized HP1/2 Fab
4KY1 · Immunoglobulin IGG1 Fab, light chain: “Humanized HP1/2 Fab”. X-ray diffraction, 5 pockets (best druggability 0.58). MolNFT v1 #98066 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4KY1
- Type
- protein
- Length
- 433 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Immunoglobulin IGG1 Fab, light chain; Immunoglobulin IGG1 Fab, heavy chain
- Pockets
- 5 · best druggability 0.58
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Immunoglobulin IGG1 Fab, light chain | protein | 213 | 6% helix, 50% strand | — |
| H | Immunoglobulin IGG1 Fab, heavy chain | protein | 220 | 7% helix, 47% strand | — |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 440 | 0.58 | 0.74 | 51 | empty |
| 2 | 68 | 0.52 | 0.86 | 23 | empty |
| 3 | 100 | 0.38 | 0.75 | 19 | empty |
| 4 | 89 | 0.37 | 0.76 | 15 | empty |
| 5 | 54 | 0.28 | 0.75 | 14 | empty |
Interfaces
1 interface between chains.
- L–H · 1944 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 4KY1 · humanized HP1/2 Fab · the same entry in another collection · chain L against L, 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 4KY1 · PDBe 4KY1
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