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Crystal structure of LAIR1 ectodomain (from MGD21) in complex with plasmodium rifin (PF3D7_1040300) V2 domain

Analyse Crystal structure of LAIR1 ectodomain (from MGD21) in complex with plasmodium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7JZI
Type
protein
Length
450 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
LAIR1 ectodomain from antibody MGD21; Rifin
UniProt
A0A2I0BRG0
Ligands
PT
Pockets
3 · best druggability 0.69

Structure

x-ray diffraction · 3 distinct chains · 54% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CLAIR1 ectodomain from antibody MGD21protein980% helix, 49% strand—
BRifinprotein12275% helix, 0% strandA0A2I0BRG0
DRifinprotein13275% helix, 0% strandA0A2I0BRG0

Ligands and binding sites

  • PT · Platinum (II) ion · metal · 2 copies · chains B, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13580.690.8251empty
2710.350.7715empty
3620.330.7616empty

Interfaces

6 interfaces between chains.

  • C–D · 972 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 944 Ų buried · 8 hydrogen bonds · protein-protein
  • A–C · 378 Ų buried · 3 hydrogen bonds · protein-protein
  • B–D · 150 Ų buried · 2 hydrogen bonds · protein-protein
  • A–D · 23 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 7JZI · Crystal structure of LAIR1 ectodomain (from MGD21) in complex with Plasmodium RIFIN… · the same entry in another collection · chain A against A, TM-score 1.00

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