GL1X · GenesisL1 explorer

MolNFT v2 · #152712 · protein

Yeast 20S proteasome beta2-G45A mutant in complex with bortezomib

6HWD: “Yeast 20S proteasome beta2-G45A mutant in complex with bortezomib”. X-ray diffraction at 2.8, 3 ligands (BO2, MG, CL). MolNFT v2 #152712 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6HWD
Type
protein
Length
6,344 residues
Chains
28
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.8
Source
Saccharomyces cerevisiae S288c
UniProt
P23639, P23638, P40303, P32379, P40302, P21242, P21243, P25043, P25451, P22141, P30656, P23724, P30657, P38624
Ligands
BO2, MG, CL

Structure

x-ray diffraction · resolution 2.8 · 14 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, O—protein250—P23639
B, P—protein244—P23638
C, Q—protein240—P40303
D, R—protein235—P32379
E, S—protein231—P40302
F, T—protein243—P21242
G, U—protein241—P21243
H, V—protein226—P25043
I, W—protein204—P25451
J, X—protein195—P22141
K, Y—protein212—P30656
L, Z—protein222—P23724
M, a—protein233—P30657
N, b—protein196—P38624

Ligands and binding sites

  • BO2 · N-[(1R)-1-(dihydroxyboryl)-3-methylbutyl]-N-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide · ligand · 6 copies · chains H, I, K, L, N, V, W, Y, Z, b
  • MG · Magnesium ion · metal · 8 copies · chains G, I, Y, K, W, L, V, N, a, Z
  • CL · Chloride ion · ion · 2 copies · chains G, H, U, V

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

Compared structures

  • 6HWD · Yeast 20S proteasome BETA2-G45A mutant in complex with bortezomib · the same entry in another collection · chain B against B, TM-score 1.00

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