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MolNFT v1 · #99546 · protein

Crystal structure of anti-il-23 antibody CNTO1959 at pH 9.5

4M6M · CNTO1959 light chain: “Crystal structure of anti-il-23 antibody CNTO1959 at pH 9.5”. X-ray diffraction, 3 pockets (best druggability 0.60). MolNFT v1 #99546 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4M6M
Type
protein
Length
431 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CNTO1959 light chain; CNTO1959 heavy chain
Pockets
3 · best druggability 0.60

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
LCNTO1959 light chainprotein2166% helix, 49% strand—
HCNTO1959 heavy chainprotein2158% helix, 53% strand—

Ligands and binding sites

  • GOL · Glycerol · additive · chains L
  • MLA · Malonic acid · additive · chains L
  • PEG · Di(hydroxyethyl)ether · additive · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15150.600.7463empty
22250.510.7647empty
3950.330.7318empty

Interfaces

1 interface between chains.

  • L–H · 1918 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

  • 4M6M · Crystal structure of anti-IL-23 antibody CNTO1959 at pH 9.5 · the same entry in another collection · chain L against L, TM-score 1.00

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