MolNFT v1 · #73250 · protein

Crystal structure of BST2/TETHERIN

3NWH · Bone marrow stromal antigen 2: “Crystal structure of BST2/TETHERIN”. X-ray diffraction, 3 pockets (best druggability 0.54). MolNFT v1 #73250 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3NWH
Type: protein
Length: 415 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bone marrow stromal antigen 2
UniProt: Q10589
Pockets: 3 · best druggability 0.54

Structure

x-ray diffraction · 4 distinct chains · 96% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bone marrow stromal antigen 2	protein	105	94% helix, 0% strand	Q10589
B	Bone marrow stromal antigen 2	protein	105	92% helix, 0% strand	Q10589
C	Bone marrow stromal antigen 2	protein	104	98% helix, 0% strand	Q10589
D	Bone marrow stromal antigen 2	protein	101	98% helix, 0% strand	Q10589

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	147	0.54	0.81	24	empty
2	119	0.47	0.79	22	empty
3	56	0.27	0.74	14	empty

Interfaces

6 interfaces between chains.

A–C · 1815 Å² buried · 4 hydrogen bonds · protein-protein
B–D · 1620 Å² buried · 2 hydrogen bonds · protein-protein
C–D · 1038 Å² buried · 11 hydrogen bonds · protein-protein
A–B · 990 Å² buried · 11 hydrogen bonds · protein-protein
B–C · 818 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 modified (engineered).

Compared structures

3NWH · Crystal structure of BST2/Tetherin · 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 A against A, TM-score 0.87

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 3NWH · PDBe 3NWH · UniProt Q10589

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