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Averaged structure for staphylococcal nuclease-H124L in ternary complex with CA2+ and thymidine-3',5'-bisphosphate

Analyse Averaged structure for staphylococcal nuclease-H124L in ternary complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1JOK
Type
protein
Length
149 residues
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Staphylococcal nuclease
EC
3.1.31.1
UniProt
P00644
Ligands
THP
Pockets
1 · best druggability 0.45

Structure

solution nmr · 1 distinct chain · 26% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AStaphylococcal nuclease (EC 3.1.31.1)protein14926% helix, 26% strandP00644

Ligands and binding sites

  • THP · Thymidine-3',5'-diphosphate · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1920.450.8016THP

Compared structures

  • 1JOK · Averaged structure for Staphylococcal nuclease-H124L in ternary complex with Ca2+ and… · the same entry in another collection · chain A against A, TM-score 1.00

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