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MolNFT v1 · #41080 · protein

The hyaluronan binding domain of murine CD44 in a type B complex with an ha 8-mer

2JCR · CD44 antigen: “The hyaluronan binding domain of murine CD44 in a type B complex with an ha 8-mer”. X-ray diffraction, 2 ligands (NAG, BDP), 2 pockets (best druggability 0.32). MolNFT v1 #41080 on GenesisL1: 3D structure, binding…

PDB
2JCR
Type
protein
Length
150 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CD44 antigen
UniProt
P15379
Ligands
NAG, BDP
Pockets
2 · best druggability 0.32

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 37% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACD44 antigenprotein15015% helix, 37% strandP15379

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
  • BDP · beta-D-glucopyranuronic acid · sugar · 3 copies · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1600.320.7616empty
2710.290.7316empty

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 2JCR · The hyaluronan binding domain of murine CD44 in a Type B complex with an HA 8-mer · the same entry in another collection · chain A against A, TM-score 1.00
  • P15379 · AlphaFold monomer V2.0 prediction for CD44 antigen (P15379) · a predicted model of the same protein · chain A against A, TM-score 0.99

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