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MolNFT v1 · #161693 · protein

Cryo-EM structure of calcium-bound NHTMEM16 lipid scramblase in nanodisc (closed state)

6QMB · Predicted protein: “Cryo-EM structure of calcium-bound NHTMEM16 lipid scramblase in nanodisc (closed state)”. Electron microscopy, 1 ligand (CA), 17 pockets (best druggability 0.79). MolNFT v1 #161693 on GenesisL1: 3D structure…

PDB
6QMB
Type
protein
Length
1,322 residues
Chains
2
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Predicted protein
UniProt
C7Z7K1
Ligands
CA
Pockets
17 · best druggability 0.79

Structure

electron microscopy · 1 distinct chain · 69% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPredicted proteinprotein66169% helix, 4% strandC7Z7K1

Ligands and binding sites

  • CA · Calcium ion · metal · 4 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18810.790.8181empty
210660.770.7977empty
37000.740.8061empty
47570.740.7968empty
52270.610.8127empty

Interfaces

1 interface between chains.

  • A–B · 4264 Ų buried · 25 hydrogen bonds · protein-protein

Compared structures

  • 6QMB · Cryo-EM structure of calcium-bound nhTMEM16 lipid scramblase in nanodisc (closed state) · the same entry in another collection · chain A against A, TM-score 1.00

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