MolNFT v1 · #79034 · protein

Serum paraoxonase-1 by directed evolution at pH 6.5 in complex with 2- hydroxyquinoline

3SRG: “Serum paraoxonase-1 by directed evolution at pH 6.5 in complex with 2- hydroxyquinoline”. X-ray diffraction, 4 ligands (OCH, CA, CL), 3 pockets (best druggability 0.73). MolNFT v1 #79034 on GenesisL1: 3D structure, binding sites and…

PDB: 3SRG
Type: protein
Length: 337 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Serum paraoxonase
EC: 3.1.1.2
Ligands: OCH, CA, CL, BR
Pockets: 3 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 46% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Serum paraoxonase (EC 3.1.1.2)	protein	337	7% helix, 46% strand	—

Ligands and binding sites

OCH · Quinolin-2(1H)-one · ligand · chains A
CA · Calcium ion · metal · 3 copies · chains A
CL · Chloride ion · ion · 2 copies · chains A
BR · Bromide ion · ion · chains A
LMT · Dodecyl-beta-D-maltoside · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	64	0.73	0.98	17	OCH
2	281	0.63	0.81	36	CA
3	59	0.43	0.82	13	empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

3SRG · Serum paraoxonase-1 by directed evolution at pH 6.5 in complex with 2-hydroxyquinoline · 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
Elsewhere: RCSB PDB 3SRG · PDBe 3SRG

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