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MolNFT v1 · #188895 · protein

Integrin ALAPHIIBBETA3 complex with BMS4.2

7UKT: “Integrin ALAPHIIBBETA3 complex with BMS4.2”. X-ray diffraction, 8 ligands (NJF, NAG, MAN). MolNFT v1 #188895 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7UKT
Type
protein
Length
2,702 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P08514, P05106
Ligands
NJF, NAG, MAN, BMA, CA, MN, SO4, CL

Structure

x-ray diffraction · 7 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein454—P08514
B—protein466—P05106
C—protein453—P08514
D—protein471—P05106
E—protein214——
F, L—protein214——
H—protein216——

Ligands and binding sites

  • NJF · (1-{[(5S)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperidin-4-yl)acetic acid · ligand · 2 copies · chains A, B, C, D
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 10 copies · chains A, B, C, D
  • MAN · alpha-D-mannopyranose · sugar · 3 copies · chains A, C
  • BMA · beta-D-mannopyranose · sugar · 2 copies
  • CA · Calcium ion · metal · 8 copies · chains A, C
  • MN · Manganese (II) ion · metal · 6 copies · chains B, D
  • SO4 · Sulfate ion · ion · 9 copies · chains A, C, L
  • CL · Chloride ion · ion · 2 copies · chains C

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

Compared structures

  • 7UKT · Integrin alpha IIB beta3 complex with BMS4.2 · the same entry in another collection · chain A against A, TM-score 1.00

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