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Unliganded mature oxy-cope catalytic antibody

Analyse Unliganded mature oxy-cope catalytic antibody in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1D5B
Type
protein
Length
864 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chimeric oxy-cope catalytic antibody az-28 (light chain); Chimeric oxy-cope catalytic…
UniProt
Q7TS98, P01834, K7T9I5, P0DOX5
Ligands
CD
Pockets
10 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, LChimeric oxy-cope catalytic antibody az-28 (light chain)protein2116% helix, 51% strandQ7TS98, P01834
B, HChimeric oxy-cope catalytic antibody az-28 (heavy chain)protein2215% helix, 50% strandK7T9I5, P0DOX5

Ligands and binding sites

  • CD · Cadmium ion · metal · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19600.760.79123empty
22620.560.7732empty
32310.510.7635empty
41320.440.7617empty
5910.410.7817empty

Interfaces

6 interfaces between chains.

  • L–H · 1801 Ų buried · 17 hydrogen bonds · protein-protein
  • A–B · 1780 Ų buried · 18 hydrogen bonds · protein-protein
  • A–H · 317 Ų buried · 9 hydrogen bonds · protein-protein
  • B–H · 295 Ų buried · 3 hydrogen bonds · protein-protein
  • A–L · 201 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 1D5B · Unliganded mature oxy-cope catalytic antibody · the same entry in another collection · chain A against A, TM-score 1.00
  • P01834 · AlphaFold monomer V2.0 prediction for immunoglobulin kappa constant (P01834) · a predicted model of the same protein · chain A against A, TM-score 0.49

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