MolNFT v1 · #160337 · protein
Unliganded human transmission blocking antibody 2544
6PHH · 2544 antibody Fab, heavy chain: “Unliganded human transmission blocking antibody 2544”. X-ray diffraction, 6 pockets (best druggability 0.66). MolNFT v1 #160337 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6PHH
- Type
- protein
- Length
- 890 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2544 antibody Fab, heavy chain; 2544 antibody Fab, light chain
- Pockets
- 6 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C, A | 2544 antibody Fab, heavy chain | protein | 228 | 8% helix, 52% strand | — |
| D, B | 2544 antibody Fab, light chain | protein | 217 | 5% helix, 52% strand | — |
Ligands and binding sites
- GOL · Glycerol · additive · 6 copies · chains C, D, A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 676 | 0.66 | 0.75 | 61 | empty |
| 2 | 283 | 0.52 | 0.74 | 43 | empty |
| 3 | 316 | 0.51 | 0.73 | 44 | empty |
| 4 | 129 | 0.47 | 0.78 | 23 | empty |
| 5 | 121 | 0.40 | 0.75 | 21 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1989 Ų buried · 15 hydrogen bonds · protein-protein
- C–D · 1954 Ų buried · 13 hydrogen bonds · protein-protein
- C–A · 1093 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 6PHH · Unliganded human transmission blocking antibody 2544 · the same entry in another collection · chain C against C, 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 6PHH · PDBe 6PHH
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