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MolNFT v1 · #142942 · protein

Crystal structure of the second coiled-coil domain of SIKE1

6AKK · Suppressor of ikbke 1: “Crystal structure of the second coiled-coil domain of SIKE1”. X-ray diffraction, 2 pockets (best druggability 0.31). MolNFT v1 #142942 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6AKK
Type
protein
Length
97 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Suppressor of ikbke 1
UniProt
Q9BRV8
Pockets
2 · best druggability 0.31

Structure

x-ray diffraction · 2 distinct chains · 90% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASuppressor of ikbke 1protein4990% helix, 0% strandQ9BRV8
BSuppressor of ikbke 1protein4890% helix, 0% strandQ9BRV8

Ligands and binding sites

  • GOL · Glycerol · additive · chains B

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1670.310.7416empty
2510.280.7413empty

Interfaces

1 interface between chains.

  • A–B · 487 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 6AKK · Crystal structure of the second Coiled-coil domain of SIKE1 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9BRV8 · AlphaFold monomer V2.0 prediction for suppressor of ikbke 1 (Q9BRV8) · a predicted model of the same protein · chain B against A, TM-score 0.87

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