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Crystal structure of ectodomain of bst-2/TETHERIN/CD317 (P21)

Analyse Crystal structure of ectodomain of bst-2/TETHERIN/CD317 (P21) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3MQC
Type
protein
Length
400 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bone marrow stromal antigen 2
UniProt
Q10589
Pockets
2 · best druggability 0.46

Structure

x-ray diffraction · 1 distinct chain · 98% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DBone marrow stromal antigen 2protein10098% helix, 0% strandQ10589

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1890.460.8115empty
2760.440.8116empty

Interfaces

6 interfaces between chains.

  • A–B · 1794 Ų buried · 2 hydrogen bonds · protein-protein
  • C–D · 1786 Ų buried · 2 hydrogen bonds · protein-protein
  • A–C · 1007 Ų buried · 10 hydrogen bonds · protein-protein
  • B–D · 994 Ų buried · 10 hydrogen bonds · protein-protein
  • A–D · 826 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified, 2 disulfide (engineered, disulfide).

Compared structures

  • 3MQC · Crystal Structure of Ectodomain of BST-2/Tetherin/CD317 (P21) · the same entry in another collection · chain D against D, TM-score 1.00
  • Q10589 · AlphaFold monomer V2.0 prediction for bone marrow stromal antigen 2 (Q10589) · a predicted model of the same protein · chain B against A, TM-score 0.90

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