MolNFT v1 · #11505 · protein

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

1JOQ: “Ensemble structures for staphylococcal nuclease-H124L in ternary complex with CA2+ and…”. Solution nmr, 1 ligand (THP), 1 pocket (best druggability 0.49). MolNFT v1 #11505 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 1JOQ
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 0.49

Structure

solution nmr · 1 distinct chain · 23% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Staphylococcal nuclease (EC 3.1.31.1)	protein	149	23% helix, 28% strand	P00644

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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	145	0.49	0.79	28	THP

Compared structures

1JOQ · Ensemble structures for Staphylococcal nuclease-H124L in ternary complex with Ca2+ and… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P00644
Elsewhere: RCSB PDB 1JOQ · PDBe 1JOQ · UniProt P00644

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