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MolNFT v1 · #143842 · protein

The crac channel orai in an unlatched-closed conformation; K163W loss- of-function mutation

6BBH · Calcium release-activated calcium channel protein 1: “The crac channel orai in an unlatched-closed conformation; K163W loss- of-function mutation”. X-ray diffraction, 20 pockets (best druggability 0.87). MolNFT v1 #143842 on…

PDB
6BBH
Type
protein
Length
3,600 residues
Chains
24
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Calcium release-activated calcium channel protein 1
UniProt
Q9U6B8
Pockets
20 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 92% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, XCalcium release-activated calcium channel protein 1protein15092% helix, 0% strandQ9U6B8

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13010.870.9736empty
22930.860.9636empty
35350.850.9057empty
45410.830.8857empty
55500.720.8067empty

Interfaces

63 interfaces between chains.

  • P–Q · 1910 Ų buried · 5 hydrogen bonds · protein-protein
  • S–X · 1891 Ų buried · 4 hydrogen bonds · protein-protein
  • S–T · 1881 Ų buried · 5 hydrogen bonds · protein-protein
  • N–O · 1872 Ų buried · 4 hydrogen bonds · protein-protein
  • G–L · 1870 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 6BBH · The CRAC channel Orai in an unlatched-closed conformation; K163W loss-of-function mutation · the same entry in another collection · chain I against I, TM-score 1.00

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