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MolNFT v1 · #162264 · protein

Crystal structure of CDK8-cycc in complex with compound 1

6R3S: “Crystal structure of CDK8-cycc in complex with compound 1”. X-ray diffraction, 1 ligand (JRE). MolNFT v1 #162264 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6R3S
Type
protein
Length
613 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P49336, P24863
Ligands
JRE

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein346—P49336
B—protein267—P24863

Ligands and binding sites

  • JRE · 6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide · ligand · chains A
  • FMT · Formic acid · additive · 3 copies · chains B, A
  • EDO · 1,2-ethanediol · additive · chains A, B

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

Compared structures

  • 6R3S · CRYSTAL STRUCTURE OF CDK8-CycC IN COMPLEX WITH COMPOUND 1 · the same entry in another collection · chain A against A, TM-score 1.00
  • P24863 · AlphaFold monomer V2.0 prediction for cyclin-C (P24863) · a predicted model of the same protein · chain B against A, TM-score 0.98
  • P49336 · AlphaFold monomer V2.0 prediction for cyclin-dependent kinase 8 (P49336) · a predicted model of the same protein · chain A against A, TM-score 0.97

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