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MolNFT v1 · #125635 · protein

Human 20S proteasome complex with oprozomib at 1.9 ångström

5LEY: “Human 20S proteasome complex with oprozomib at 1.9 ångström”. X-ray diffraction, 5 ligands (6V9, 6VA, MG). MolNFT v1 #125635 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5LEY
Type
protein
Length
6,235 residues
Chains
30
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P25787, P25789, O14818, P28066, P25786, P25788, P60900, Q99436, P49720, P49721, P28074, P20618, P28070, P28072
Ligands
6V9, 6VA, MG, K, CL

Structure

x-ray diffraction · 22 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, O—protein230—P25787
B—protein248—P25789
C—protein237—O14818
D, R—protein233—P28066
E—protein234—P25786
F—protein239—P25788
G—protein244—P60900
H, V—protein220—Q99436
I, W—protein204—P49720
J, X—protein196—P49721
K—protein200—P28074
L, Z—protein213—P20618
M, a—protein216—P28070
N—protein202—P28072
P—protein247—P25789
Q—protein240—O14818
S—protein236—P25786
T—protein240—P25788
U—protein238—P60900
Y—protein199—P28074
b—protein203—P28072
c, d—protein2——

Ligands and binding sites

  • 6V9 · 2-methyl-1,3-thiazole-5-carboxylic acid · ligand · 2 copies · chains K, L, c, Y, Z, d
  • 6VA · (3~{R},4~{S})-4-azanyl-2-methyl-5-phenyl-pentane-2,3-diol · ligand · 2 copies · chains K, c, Y, d
  • MG · Magnesium ion · metal · 10 copies · chains H, N, Z, I, Y, K, W, L, V, b
  • K · Potassium ion · metal · 6 copies · chains G, L, N, U, Z, b
  • CL · Chloride ion · ion · 58 copies · chains A, C, G, B, D, E, F, N, H, I, K, J, M, O, Q, W, U, V, P, R, S, Y, X, a, b
  • 1PE · Pentaethylene glycol · additive · 9 copies · chains G, H, N, Z, a, I, J, D, K, L, M, V, b, U, W, X, R, Y

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

Compared structures

  • 5LEY · Human 20S proteasome complex with Oprozomib at 1.9 Angstrom · the same entry in another collection · chain K against K, TM-score 1.00

Analyse

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