MolNFT v1 · #76273 · protein

2.05 ångström crystal structure of putative 5'-nucleotidase from staphylococcus aureus in complex with alpha-ketoglutarate

3QFK · Uncharacterized protein: “2.05 ångström crystal structure of putative 5'-nucleotidase from staphylococcus aureus in complex with…”. X-ray diffraction, 3 ligands (AKG, ZN, MN), 3 pockets (best druggability 0.80). MolNFT v1 #76273 on…

PDB: 3QFK
Type: protein
Length: 510 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Uncharacterized protein
UniProt: Q2G1L5
Ligands: AKG, ZN, MN
Pockets: 3 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Uncharacterized protein	protein	510	30% helix, 28% strand	Q2G1L5

Ligands and binding sites

AKG · 2-oxoglutaric acid · ligand · chains A
ZN · Zinc ion · metal · chains A
MN · Manganese (II) ion · metal · chains A
PEG · Di(hydroxyethyl)ether · additive · chains A
EDO · 1,2-ethanediol · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	605	0.80	0.86	62	AKG, EDO
2	90	0.46	0.80	19	empty
3	54	0.30	0.76	13	empty

Modifications

Observed in the structure: 11 modified (engineered).

Compared structures

3QFK · 2.05 Angstrom Crystal Structure of Putative 5'-Nucleotidase from Staphylococcus aureus in… · 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 Q2G1L5
Elsewhere: RCSB PDB 3QFK · PDBe 3QFK · UniProt Q2G1L5

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