MolNFT v1 · #97171 · protein

Crystal structure of staphylococcal nuclease variant V23M/L36F at cryogenic temperature

4K5X · Thermonuclease: “Crystal structure of staphylococcal nuclease variant V23M/L36F at cryogenic temperature”. X-ray diffraction, 3 ligands (THP, CA, PO4), 1 pocket (best druggability 0.45). MolNFT v1 #97171 on GenesisL1: 3D structure…

PDB: 4K5X
Type: protein
Length: 132 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thermonuclease
EC: 3.1.31.1
UniProt: P00644
Ligands: THP, CA, PO4
Pockets: 1 · best druggability 0.45

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Thermonuclease (EC 3.1.31.1)	protein	132	27% helix, 31% strand	P00644

Ligands and binding sites

THP · Thymidine-3',5'-diphosphate · ligand · chains A
CA · Calcium ion · metal · chains A
PO4 · Phosphate ion · ion · chains A
MRD · (4R)-2-methylpentane-2,4-diol · additive · 2 copies · 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	85	0.45	0.80	18	THP

Compared structures

4K5X · Crystal structure of Staphylococcal nuclease variant V23M/L36F at cryogenic temperature · 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 4K5X · PDBe 4K5X · UniProt P00644

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