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Crystal structure of a therapeutic single chain antibody in complex with 4-hydroxymethamphetamine

Analyse Crystal structure of a therapeutic single chain antibody in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4LAS
Type
protein
Length
232 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Single chain antibody fragment SCFV6H4
Ligands
1WF
Pockets
3 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 8% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HSingle chain antibody fragment SCFV6H4protein2328% helix, 49% strand—

Ligands and binding sites

  • 1WF · 4-[(2S)-2-(methylamino)propyl]phenol · ligand · chains H

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1760.600.89171WF
21050.470.8019empty
3560.270.7412empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 4LAS · Crystal structure of a therapeutic single chain antibody in complex with… · the same entry in another collection · chain H against H, TM-score 1.00

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