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MolNFT v1 · #125342 · protein

Yeast 20S proteasome with mouse BETA5I (1-138) and mouse BETA6 (97- 111; 118-133) in complex with epoxyketone inhibitor 14

5L68: “Yeast 20S proteasome with mouse BETA5I (1-138) and mouse BETA6 (97- 111; 118-133) in complex with epoxyketone…”. X-ray diffraction, 3 ligands (6N5, MG, CL). MolNFT v1 #125342 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
5L68
Type
protein
Length
6,342 residues
Chains
28
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P23639, P23638, P40303, P32379, P40302, P21242, P21243, P25043, P25451, P22141, P28063, P30656, P23724, O09061, P30657, P38624
Ligands
6N5, MG, CL

Structure

x-ray diffraction · 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—protein211—P28063, P30656
L, Z—protein222—P23724, O09061
M, a—protein233—P30657
N, b—protein196—P38624

Ligands and binding sites

  • 6N5 · ~{N}-[(2~{S})-1-[[(2~{S})-3-(4-methoxyphenyl)-1-[[(2~{S},3~{S},4~{R})-4-methyl-3,5-bis(oxidanyl)-1-phenyl-pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-methyl-5~{H}-indene-2-carboxamide · ligand · 4 copies · chains H, I, K, L, V, W, Y, Z
  • MG · Magnesium ion · metal · 9 copies · chains G, N, I, Y, J, K, W, L, V, a, Z
  • CL · Chloride ion · ion · 2 copies · chains G, H, U, V
  • MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains H, Y

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

Compared structures

  • 5L68 · Yeast 20S proteasome with mouse beta5i (1-138) and mouse beta6 (97-111; 118-133) in… · the same entry in another collection · chain K against K, TM-score 1.00

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