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MolNFT v2 · #151716 · protein

Yeast 20S proteasome in complex with the peptidic non-covalent binding inhibitor RTS-V5

6H39: “Yeast 20S proteasome in complex with the peptidic non-covalent binding inhibitor RTS-V5”. X-ray diffraction at 2.5, 4 ligands (FGY, MG, CL). MolNFT v2 #151716 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6H39
Type
protein
Length
6,336 residues
Chains
28
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.5
Source
Saccharomyces cerevisiae (strain ATCC 204508 / S288c)
UniProt
P23639, P23638, P40303, P32379, P40302, P21242, P21243, P25043, P25451, P22141, P30656, P23724, P30657, P38624
Ligands
FGY, MG, CL, SO4

Structure

x-ray diffraction · resolution 2.5 · 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—protein222—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

  • FGY · N-(2,2-dimethylpropyl)-N~2~-[4-(hydroxycarbamoyl) benzene-1-carbonyl]-L-asparaginyl-N-benzyl-L-alaninamide · ligand · 2 copies · chains K, L, Y, Z
  • MG · Magnesium ion · metal · 10 copies · chains G, I, K, W, N, a, L, V, X, Y, Z
  • CL · Chloride ion · ion · 2 copies · chains G, H, U, V
  • SO4 · Sulfate ion · ion · 2 copies · chains N, b
  • MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains K, Y

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

Compared structures

  • 6H39 · Yeast 20S proteasome in complex with the peptidic non-covalent binding inhibitor rts-V5 · the same entry in another collection · chain B against B, TM-score 1.00

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