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MolNFT v2 · #196522 · protein

Integrin alpha IIB beta3 complex with BMS4-3

7UDH: “Integrin alpha IIB beta3 complex with BMS4-3”. X-ray diffraction at 1.99999, 8 ligands (MWO, NAG, MAN). MolNFT v2 #196522 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7UDH
Type
protein
Length
2,702 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.99999
Source
Homo sapiens; Mus musculus
UniProt
P08514, P05106
Ligands
MWO, NAG, MAN, BMA, CA, MN, SO4, CL

Structure

x-ray diffraction · resolution 1.99999 · 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

  • MWO · (4-{[(5S)-3-(piperidin-4-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-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 · 4 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 · 3 copies · chains C, D

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

Compared structures

  • 7UDH · Integrin ALAPHIIBBETA3 complex with BMS4-3 · the same entry in another collection · chain L against L, TM-score 1.00
  • P08514 · AlphaFold monomer V2.0 prediction for integrin alpha-iib (P08514) · a predicted model of the same protein · chain C against A, TM-score 1.00
  • P05106 · AlphaFold monomer V2.0 prediction for integrin beta-3 (P05106) · a predicted model of the same protein · chain B against A, TM-score 0.90

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