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MolNFT v1 · #41059 · protein

The crystal structure of the natural F112L human sorcin mutant

2JC2: “The crystal structure of the natural F112L human sorcin mutant”. X-ray diffraction, 1 ligand (SO4), 7 pockets (best druggability 0.74). MolNFT v1 #41059 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2JC2
Type
protein
Length
664 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Sorcin
UniProt
P30626
Ligands
SO4
Pockets
7 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 63% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DSorcinprotein16663% helix, 10% strandP30626

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 6 copies · chains A, C, B, D

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

Pockets

7 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18010.740.7991SO4
24010.650.7946SO4
33420.640.7945SO4
41690.620.8432empty
52810.610.7931SO4

Interfaces

6 interfaces between chains.

  • B–D · 2481 Ų buried · 28 hydrogen bonds · protein-protein
  • A–C · 2349 Ų buried · 30 hydrogen bonds · protein-protein
  • C–D · 1995 Ų buried · 38 hydrogen bonds · protein-protein
  • A–B · 1992 Ų buried · 38 hydrogen bonds · protein-protein
  • B–C · 144 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 2JC2 · The crystal structure of the natural F112L human sorcin mutant · the same entry in another collection · chain A against A, TM-score 1.00
  • P30626 · AlphaFold monomer V2.0 prediction for sorcin (P30626) · a predicted model of the same protein · chain A against A, TM-score 0.77

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