MolNFT v1 · #71843 · protein
Crystal structure of ectodomain of bst-2/TETHERIN/CD317 (C2)
3MQB · Bone marrow stromal antigen 2: “Crystal structure of ectodomain of bst-2/TETHERIN/CD317 (C2)”. X-ray diffraction, 1 pocket (best druggability 0.54). MolNFT v1 #71843 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3MQB
- Type
- protein
- Length
- 423 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bone marrow stromal antigen 2
- UniProt
- Q10589
- Pockets
- 1 · best druggability 0.54
Structure
x-ray diffraction · 3 distinct chains · 95% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bone marrow stromal antigen 2 | protein | 109 | 91% helix, 0% strand | Q10589 |
| B, E | Bone marrow stromal antigen 2 | protein | 106 | 97% helix, 0% strand | Q10589 |
| F | Bone marrow stromal antigen 2 | protein | 102 | 97% helix, 0% strand | Q10589 |
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 279 | 0.54 | 0.76 | 27 | empty |
Interfaces
5 interfaces between chains.
- E–F · 1834 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 1812 Ų buried · 5 hydrogen bonds · protein-protein
- A–F · 338 Ų buried · 4 hydrogen bonds · protein-protein
- A–E · 289 Ų buried · 1 hydrogen bond · protein-protein
- B–F · 229 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 3MQB · Crystal Structure of Ectodomain of BST-2/Tetherin/CD317 (C2) · the same entry in another collection · chain F against F, 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 E against A, TM-score 0.93
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q10589
- Elsewhere: RCSB PDB 3MQB · PDBe 3MQB · UniProt Q10589
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