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MolNFT v1 · #148856 · protein

Crystal structure of cng mimicking nak-eapp mutant (T67A) cocrystallized with K+

6FIZ · Potassium channel PROTEIN,CYCLIC nucleotide-gated olfactory…: “Crystal structure of cng mimicking nak-eapp mutant (T67A) cocrystallized with K+”. X-ray diffraction, 2 ligands (GLY, K), 20 pockets (best druggability 0.76). MolNFT v1…

PDB
6FIZ
Type
protein
Length
1,462 residues
Chains
16
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Potassium channel PROTEIN,CYCLIC nucleotide-gated olfactory CHANNEL,POTASSIUM channel…
UniProt
Q81HW2, Q16280
Ligands
GLY, K
Pockets
20 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 79% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, H, J, K, L, N, O, PPotassium channel PROTEIN,CYCLIC nucleotide-gated olfactory CHANNEL,POTASSIUM channel proteinprotein9179% helix, 0% strandQ81HW2, Q16280
I, MPotassium channel PROTEIN,CYCLIC nucleotide-gated olfactory CHANNEL,POTASSIUM channel proteinprotein9480% helix, 0% strandQ81HW2, Q16280

Ligands and binding sites

  • GLY · Glycine · ligand · 60 copies · chains A, B, C, J, N, D, E, F, H, G, I, L, K, M, P, O
  • K · Potassium ion · metal · 12 copies · chains A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P
  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · 7 copies · chains D, F, K, G, H, J, I, M, N, O

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

Pockets

20 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17930.760.8097MPD
27030.760.8175GLY
34970.670.7855empty
43330.650.8047GLY
52510.620.8035GLY

Interfaces

33 interfaces between chains.

  • B–C · 889 Ų buried · 8 hydrogen bonds · protein-protein
  • E–H · 888 Ų buried · 8 hydrogen bonds · protein-protein
  • A–B · 885 Ų buried · 9 hydrogen bonds · protein-protein
  • F–G · 881 Ų buried · 11 hydrogen bonds · protein-protein
  • G–H · 879 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 6FIZ · Crystal Structure of CNG mimicking NaK-EAPP mutant (T67A) cocrystallized with K+ · the same entry in another collection · chain J against J, TM-score 1.00

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