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Cell surface receptor in complex with ligand at 1.80-a resolution

Analyse Cell surface receptor in complex with ligand at 1.80-a resolution in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6D49
Type
protein
Length
252 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Myeloid cell surface antigen CD33
UniProt
P20138
Ligands
FVP
Pockets
1 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BMyeloid cell surface antigen CD33protein1267% helix, 40% strandP20138

Ligands and binding sites

  • FVP · 2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl) acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside · ligand · 2 copies · chains A, B
  • GOL · Glycerol · additive · 9 copies · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12560.480.7334GOL

Interfaces

1 interface between chains.

  • A–B · 417 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 6D49 · Cell Surface Receptor in Complex with Ligand at 1.80-A Resolution · the same entry in another collection · chain A against A, TM-score 1.00
  • P20138 · AlphaFold monomer V2.0 prediction for myeloid cell surface antigen CD33 (P20138) · a predicted model of the same protein · chain B against A, TM-score 0.97

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