GL1X · GenesisL1 explorer

MolNFT v1 · #179044 · protein

Crystal structure of protac MS33 in complex with the wd repeat- containing protein 5 and PVHL:ELONGINC:ELONGINB

7JTO: “Crystal structure of protac MS33 in complex with the wd repeat- containing protein 5 and…”. X-ray diffraction, 3 ligands (VKA, NA, SCN). MolNFT v1 #179044 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7JTO
Type
protein
Length
641 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P61964, Q15370, Q15369, P40337
Ligands
VKA, NA, SCN

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
B—protein303—P61964
J—protein103—Q15370
K—protein87—Q15369
L—protein148—P40337

Ligands and binding sites

  • VKA · 3-methyl-N-(11-{[2-(4-{[4'-(4-methylpiperazin-1-yl)-3'-{[6-oxo-4-(trifluoromethyl)-5,6-dihydropyridine-3-carbonyl]amino}[1,1'-biphenyl]-3-yl]methyl}piperazin-1-yl)ethyl]amino}-11-oxoundecanoyl)-L-valyl-(4R)-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl) phenyl]methyl}-L-prolinamide · ligand · chains B, L
  • NA · Sodium ion · metal · chains L
  • SCN · Thiocyanate ion · ion · 4 copies · chains B, J
  • EDO · 1,2-ethanediol · additive · 5 copies · chains B, K, L
  • GOL · Glycerol · additive · chains K

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

Compared structures

  • 7JTO · Crystal structure of Protac MS33 in complex with the WD repeat-containing protein 5 and… · the same entry in another collection · chain B against B, TM-score 1.00
  • Q15370 · AlphaFold monomer V2.0 prediction for elongin-B (Q15370) · a predicted model of the same protein · chain J against A, TM-score 0.98
  • Q15369 · AlphaFold monomer V2.0 prediction for elongin-C (Q15369) · a predicted model of the same protein · chain K against A, TM-score 0.98

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