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MolNFT v1 · #155892 · protein

Cryoem structure of SERCA2B wt in E2-BEF3- state

6LLY · SARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 2: “Cryoem structure of SERCA2B wt in E2-BEF3- state”. Electron microscopy, 2 ligands (BEF, MG), 17 pockets (best druggability 0.75). MolNFT v1 #155892 on GenesisL1: 3D structure…

PDB
6LLY
Type
protein
Length
1,006 residues
Chains
1
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
SARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 2
EC
7.2.2.10
UniProt
P16615
Ligands
BEF, MG
Pockets
17 · best druggability 0.75

Structure

electron microscopy · 1 distinct chain · 49% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 2 (EC 7.2.2.10)protein100649% helix, 16% strandP16615

Ligands and binding sites

  • BEF · Beryllium trifluoride ion · ligand · chains A
  • MG · Magnesium ion · metal · chains A

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

Pockets

17 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13690.750.8645empty
26030.740.8157empty
33940.670.8058empty
43150.600.7836empty
53620.590.7532empty

Compared structures

  • 6LLY · CryoEM structure of SERCA2b WT in E2-BeF3- state · the same entry in another collection · chain A against A, TM-score 1.00
  • P16615 · AlphaFold monomer V2.0 prediction for SARCOPLASMIC/ENDOPLASMIC reticulum calcium ATPase 2… · a predicted model of the same protein · chain A against A, TM-score 0.91

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