MolNFT v1 · #143447 · protein
Crystal structure of the neutralizing anti-circumsporozoite protein 663 antibody
6AZX · 663 antibody, heavy chain: “Crystal structure of the neutralizing anti-circumsporozoite protein 663 antibody”. X-ray diffraction, 10 pockets (best druggability 0.77). MolNFT v1 #143447 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6AZX
- Type
- protein
- Length
- 837 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 663 antibody, heavy chain; 663 antibody, light chain
- Pockets
- 10 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 6% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | 663 antibody, heavy chain | protein | 210 | 6% helix, 52% strand | — |
| D | 663 antibody, light chain | protein | 215 | 6% helix, 52% strand | — |
| A | 663 antibody, heavy chain | protein | 201 | 6% helix, 50% strand | — |
| B | 663 antibody, light chain | protein | 211 | 5% helix, 49% strand | — |
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 990 | 0.77 | 0.79 | 85 | empty |
| 2 | 560 | 0.60 | 0.73 | 65 | empty |
| 3 | 283 | 0.54 | 0.76 | 36 | empty |
| 4 | 62 | 0.54 | 0.88 | 22 | empty |
| 5 | 156 | 0.47 | 0.76 | 18 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1722 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 1717 Ų buried · 14 hydrogen bonds · protein-protein
- D–A · 263 Ų buried · 2 hydrogen bonds · protein-protein
- C–B · 168 Ų buried · 3 hydrogen bonds · protein-protein
- D–B · 160 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 6AZX · Crystal structure of the neutralizing anti-circumsporozoite protein 663 antibody · 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 6AZX · PDBe 6AZX
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