MolNFT v1 · #145883 · protein
Crystal structure of 1450 Fab in complex with circumsporozoite protein NANP5
6D11 · 1450 antibody, heavy chain: “Crystal structure of 1450 Fab in complex with circumsporozoite protein NANP5”. X-ray diffraction, 8 pockets (best druggability 0.63). MolNFT v1 #145883 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6D11
- Type
- protein
- Length
- 878 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 1450 antibody, heavy chain; 1450 antibody, light chain; NANP5
- Pockets
- 8 · best druggability 0.63
Structure
x-ray diffraction · 4 distinct chains · 4% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 1450 antibody, heavy chain | protein | 216 | 3% helix, 49% strand | — |
| B, D | 1450 antibody, light chain | protein | 211 | 6% helix, 52% strand | — |
| C | 1450 antibody, heavy chain | protein | 221 | 4% helix, 50% strand | — |
| E | NANP5 | protein | 19 | 0% helix, 11% strand | — |
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 467 | 0.63 | 0.77 | 42 | empty |
| 2 | 255 | 0.59 | 0.79 | 32 | empty |
| 3 | 301 | 0.51 | 0.74 | 33 | empty |
| 4 | 262 | 0.51 | 0.75 | 30 | empty |
| 5 | 110 | 0.35 | 0.73 | 18 | empty |
Interfaces
8 interfaces between chains.
- C–D · 1683 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 1626 Ų buried · 9 hydrogen bonds · protein-protein
- C–E · 489 Ų buried · 11 hydrogen bonds · protein-protein
- A–E · 389 Ų buried · 8 hydrogen bonds · protein-protein
- B–E · 161 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 6D11 · Crystal structure of 1450 Fab in complex with circumsporozoite protein NANP5 · 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 6D11 · PDBe 6D11
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