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MolNFT v2 · #184339 · protein

X-ray structure of Lfa-1 I domain in complex with BMS-68852 collected at 273 K

7KC5: “X-ray structure of Lfa-1 I domain in complex with BMS-68852 collected at 273 K”. X-ray diffraction at 1.86, 2 ligands (BJZ, MG). MolNFT v2 #184339 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7KC5
Type
protein
Length
364 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.86
Source
Homo sapiens
UniProt
P20701
Ligands
BJZ, MG

Structure

x-ray diffraction · resolution 1.86 · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C—protein182—P20701

Ligands and binding sites

  • BJZ · 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid · ligand · 2 copies · chains A, C
  • MG · Magnesium ion · metal · 2 copies · chains A, C

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

Compared structures

  • 7KC5 · X-ray structure of lfa-1 I domain in complex with bms-68852 collected at 273 K · the same entry in another collection · chain A against A, TM-score 1.00
  • P20701 · AlphaFold monomer V2.0 prediction for integrin alpha-L (P20701) · a predicted model of the same protein · chain A against A, TM-score 0.97

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