GL1X · GenesisL1 explorer

MolNFT v2 · #139333 · protein

Crystal Structure of Human CD1b in Complex with PA

5WKG: “Crystal Structure of Human CD1b in Complex with PA”. X-ray diffraction at 2.06, 9 ligands (D21, CUY, NAG). MolNFT v2 #139333 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5WKG
Type
protein
Length
377 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.06
Source
Homo sapiens
UniProt
P29016, P61769
Ligands
D21, CUY, NAG, FUC, MAN, BMA, NA, CL, IOD

Structure

x-ray diffraction · resolution 2.06 · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein280—P29016
B—protein97—P61769

Ligands and binding sites

  • D21 · (2R)-1-(hexadecanoyloxy)-3-(phosphonooxy)propan-2-yl (9Z)-octadec-9-enoate · ligand · chains A
  • CUY · tetracosyl octadecanoate · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
  • FUC · alpha-L-fucopyranose · sugar · 3 copies · chains A
  • MAN · alpha-D-mannopyranose · sugar · 2 copies
  • BMA · beta-D-mannopyranose · sugar
  • NA · Sodium ion · metal · chains B
  • CL · Chloride ion · ion · 4 copies · chains A, B
  • IOD · Iodide ion · ion · 3 copies · chains A, B
  • PEG · Di(hydroxyethyl)ether · additive · chains A
  • EDO · 1,2-ethanediol · additive · chains A, B

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

Compared structures

  • 5WKG · Crystal structure of human CD1B in complex with pa · the same entry in another collection · chain A against A, TM-score 1.00
  • P61769 · AlphaFold monomer V2.0 prediction for beta-2-microglobulin (P61769) · a predicted model of the same protein · chain B against A, TM-score 0.98
  • P29016 · AlphaFold monomer V2.0 prediction for T-cell surface glycoprotein CD1B (P29016) · a predicted model of the same protein · chain A against A, TM-score 0.97

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