MolNFT v1 · #151324 · protein
Structure of FISW84 Fab fragment
6HKG · FISW84 Fab fragment heavy chain: “Structure of FISW84 Fab fragment”. X-ray diffraction, 1 ligand (SO4), 11 pockets (best druggability 0.81). MolNFT v1 #151324 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6HKG
- Type
- protein
- Length
- 784 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FISW84 Fab fragment heavy chain; FISW84 Fab fragment light chain
- Ligands
- SO4
- Pockets
- 11 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 6% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | FISW84 Fab fragment heavy chain | protein | 217 | 9% helix, 51% strand | — |
| B | FISW84 Fab fragment light chain | protein | 214 | 6% helix, 50% strand | — |
| C | FISW84 Fab fragment heavy chain | protein | 194 | 8% helix, 50% strand | — |
| D | FISW84 Fab fragment light chain | protein | 159 | 2% helix, 50% strand | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 6 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1149 | 0.81 | 0.82 | 117 | empty |
| 2 | 76 | 0.72 | 0.96 | 19 | empty |
| 3 | 84 | 0.55 | 0.86 | 21 | empty |
| 4 | 110 | 0.55 | 0.84 | 25 | empty |
| 5 | 214 | 0.47 | 0.74 | 36 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1716 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 1385 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 759 Ų buried · 10 hydrogen bonds · protein-protein
- A–D · 260 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 250 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 6HKG · Structure of FISW84 Fab Fragment · 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 6HKG · PDBe 6HKG
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