MolNFT v1 · #65029 · protein
Crystal structures of a therapeutic single chain antibody in complex methamphetamine
3GKZ · Anti-methamphetamine single chain fv: “Crystal structures of a therapeutic single chain antibody in complex methamphetamine”. X-ray diffraction, 1 ligand (B40), 3 pockets (best druggability 0.61). MolNFT v1 #65029 on GenesisL1: 3D…
- PDB
- 3GKZ
- Type
- protein
- Length
- 233 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Anti-methamphetamine single chain fv
- Ligands
- B40
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 5% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Anti-methamphetamine single chain fv | protein | 233 | 5% helix, 49% strand | — |
Ligands and binding sites
- B40 · (2S)-N-methyl-1-phenylpropan-2-amine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 81 | 0.61 | 0.89 | 16 | B40 |
| 2 | 119 | 0.49 | 0.80 | 20 | empty |
| 3 | 68 | 0.30 | 0.74 | 16 | empty |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3GKZ · Crystal structures of a therapeutic single chain antibody in complex methamphetamine · 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 3GKZ · PDBe 3GKZ
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