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MolNFT v1 · #161625 · protein

Crystal structure of yeast 14-3-3 protein (BMH1) from saccharomyces cerevisiae with the NHA1P (yeast NA+/H+ antiporter) 14-3-3 binding motif SER481

6QK8 · Protein BMH1: “Crystal structure of yeast 14-3-3 protein (BMH1) from saccharomyces cerevisiae with the NHA1P (yeast NA+/H+…”. X-ray diffraction, 9 pockets (best druggability 0.85). MolNFT v1 #161625 on GenesisL1: 3D structure…

PDB
6QK8
Type
protein
Length
909 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein BMH1; NA(+)/H(+) antiporter
UniProt
P29311, Q99271
Pockets
9 · best druggability 0.85

Structure

x-ray diffraction · 6 distinct chains · 80% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein BMH1protein22681% helix, 0% strandP29311
BProtein BMH1protein22582% helix, 0% strandP29311
CProtein BMH1protein21381% helix, 0% strandP29311
DProtein BMH1protein21582% helix, 0% strandP29311
E, F, HNA(+)/H(+) antiporterprotein80% helix, 0% strandQ99271
GNA(+)/H(+) antiporterprotein60% helix, 0% strandQ99271

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111110.850.86100empty
211600.840.85113empty
31560.670.8727empty
4890.550.8516empty
51290.520.8023empty

Interfaces

14 interfaces between chains.

  • A–C · 1047 Ų buried · 11 hydrogen bonds · protein-protein
  • B–D · 1034 Ų buried · 14 hydrogen bonds · protein-protein
  • A–B · 725 Ų buried · 2 hydrogen bonds · protein-protein
  • A–E · 712 Ų buried · 15 hydrogen bonds · protein-protein
  • B–H · 613 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (phosphorylation).

Compared structures

  • 6QK8 · Crystal structure of yeast 14-3-3 protein (Bmh1) from Saccharomyces cerevisiae with the… · the same entry in another collection · chain H against H, TM-score 1.00
  • P29311 · AlphaFold monomer V2.0 prediction for protein BMH1 (P29311) · a predicted model of the same protein · chain B against A, TM-score 0.99

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