MolNFT v1 · #94026 · protein
CH67 Fab (unbound) from the CH65-67 lineage
4HKB · CH67 heavy chain: “CH67 Fab (unbound) from the CH65-67 lineage”. X-ray diffraction, 20 pockets (best druggability 0.79). MolNFT v1 #94026 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4HKB
- Type
- protein
- Length
- 2,379 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CH67 heavy chain; CH67 light chain
- Pockets
- 20 · best druggability 0.79
Structure
x-ray diffraction · 10 distinct chains · 4% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| J | CH67 heavy chain | protein | 218 | 4% helix, 50% strand | — |
| A, E, I | CH67 heavy chain | protein | 220 | 4% helix, 49% strand | — |
| C | CH67 heavy chain | protein | 218 | 6% helix, 47% strand | — |
| G | CH67 heavy chain | protein | 218 | 4% helix, 48% strand | — |
| N | CH67 light chain | protein | 193 | 4% helix, 46% strand | — |
| B | CH67 light chain | protein | 164 | 3% helix, 44% strand | — |
| D | CH67 light chain | protein | 179 | 4% helix, 42% strand | — |
| F | CH67 light chain | protein | 173 | 5% helix, 42% strand | — |
| H | CH67 light chain | protein | 174 | 2% helix, 44% strand | — |
| K | CH67 light chain | protein | 182 | 4% helix, 46% strand | — |
Pockets
20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1021 | 0.79 | 0.81 | 126 | empty |
| 2 | 399 | 0.76 | 0.86 | 32 | empty |
| 3 | 722 | 0.76 | 0.81 | 99 | empty |
| 4 | 245 | 0.65 | 0.83 | 40 | empty |
| 5 | 339 | 0.64 | 0.80 | 42 | empty |
Interfaces
31 interfaces between chains.
- J–N · 1874 Ų buried · 12 hydrogen bonds · protein-protein
- E–F · 1840 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 1835 Ų buried · 11 hydrogen bonds · protein-protein
- G–H · 1829 Ų buried · 16 hydrogen bonds · protein-protein
- I–K · 1795 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 22 disulfide (disulfide).
Compared structures
- 4HKB · CH67 Fab (unbound) from the CH65-67 Lineage · the same entry in another collection · chain J against J, 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 4HKB · PDBe 4HKB
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