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MolNFT v1 · #147186 · protein

Human immunoproteasome 20S particle in complex with compound 1

6E5B: “Human immunoproteasome 20S particle in complex with compound 1”. X-ray diffraction, 3 ligands (HUJ, NA, SCN). MolNFT v1 #147186 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6E5B
Type
protein
Length
6,207 residues
Chains
28
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P25787, P25789, O14818, P28066, P25786, P25788, P60900, P40306, P49720, P49721, P28062, P20618, P28070, P28065
Ligands
HUJ, NA, SCN

Structure

x-ray diffraction · 20 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, O—protein229—P25787
B—protein245—P25789
C—protein227—O14818
D—protein230—P28066
E, S—protein236—P25786
F—protein244—P25788
G—protein241—P60900
H, V—protein218—P40306
I, W—protein204—P49720
J—protein196—P49721
K, Y—protein203—P28062
L, Z—protein213—P20618
M, a—protein214—P28070
N, b—protein199—P28065
P—protein246—P25789
Q—protein234—O14818
R—protein232—P28066
T—protein241—P25788
U—protein242—P60900
X—protein197—P49721

Ligands and binding sites

  • HUJ · [(1R)-3-methyl-1-[[1-[2-[(2,3,4-trimethoxyphenyl) carbonylamino]ethyl]-1,2,3-triazol-4-yl]carbonylamino]butyl]-tris(oxidanyl)boron · ligand · 4 copies · chains K, N, Y, b
  • NA · Sodium ion · metal · 12 copies · chains G, H, Z, I, Y, K, W, L, V, N, U, b
  • SCN · Thiocyanate ion · ion · 3 copies · chains E, K, L, Z

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

Compared structures

  • 6E5B · Human Immunoproteasome 20S particle in complex with compound 1 · the same entry in another collection · chain I against I, TM-score 1.00

Analyse

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