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MolNFT v1 · #101445 · protein

Copn-SCC3 complex

4NRH: “Copn-SCC3 complex”. X-ray diffraction, 1 ligand (NA), 10 pockets (best druggability 0.76). MolNFT v1 #101445 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4NRH
Type
protein
Length
916 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Copn; Chaperone sycd
UniProt
Q9Z8L4, Q9Z6N8
Ligands
NA
Pockets
10 · best druggability 0.76

Structure

x-ray diffraction · 3 distinct chains · 74% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACopnprotein28975% helix, 0% strandQ9Z8L4
B, DChaperone sycdprotein17069% helix, 0% strandQ9Z6N8
CCopnprotein28776% helix, 0% strandQ9Z8L4

Ligands and binding sites

  • NA · Sodium ion · metal · 2 copies · chains A, C

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

Pockets

10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111230.760.7983NA
2520.700.9817empty
3510.660.9617empty
44670.660.7858empty
5900.610.8818empty

Interfaces

4 interfaces between chains.

  • B–C · 1029 Ų buried · 13 hydrogen bonds · protein-protein
  • A–D · 1022 Ų buried · 13 hydrogen bonds · protein-protein
  • A–B · 631 Ų buried · 8 hydrogen bonds · protein-protein
  • B–D · 127 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 4NRH · CopN-Scc3 complex · the same entry in another collection · chain A against A, TM-score 1.00

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