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MolNFT v1 · #167096 · protein

Cryo-EM structure of an undecameric chicken CALHM1 and human CALHM2 chimera

6VAL · Green fluorescent protein, CALHM1,CALMH2 chimera: “Cryo-EM structure of an undecameric chicken CALHM1 and human CALHM2 chimera”. Electron microscopy, 20 pockets (best druggability 0.71). MolNFT v1 #167096 on GenesisL1: 3D structure…

PDB
6VAL
Type
protein
Length
2,827 residues
Chains
11
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Green fluorescent protein, CALHM1,CALMH2 chimera
UniProt
P42212, A0A1D5NWS1, Q9HA72
Pockets
20 · best druggability 0.71

Structure

electron microscopy · 1 distinct chain · 67% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, H, I, J, KGreen fluorescent protein, CALHM1,CALMH2 chimeraprotein25767% helix, 0% strandP42212, A0A1D5NWS1, Q9HA72

Pockets

20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15320.710.8078empty
25360.710.8083empty
34990.700.8076empty
44800.700.8071empty
54110.690.8166empty

Interfaces

22 interfaces between chains.

  • A–K · 2771 Ų buried · 21 hydrogen bonds · protein-protein
  • A–B · 2769 Ų buried · 21 hydrogen bonds · protein-protein
  • I–J · 2768 Ų buried · 20 hydrogen bonds · protein-protein
  • B–C · 2767 Ų buried · 20 hydrogen bonds · protein-protein
  • J–K · 2765 Ų buried · 20 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 11 disulfide (disulfide).

Compared structures

  • 6VAL · Cryo-EM structure of an undecameric chicken CALHM1 and human CALHM2 chimera · the same entry in another collection · chain K against K, TM-score 1.00
  • Q9HA72 · AlphaFold monomer V2.0 prediction for calcium homeostasis modulator protein 2 (Q9HA72) · a predicted model of the same protein · chain E against A, TM-score 0.90

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