ISDA: 9JFM

Deposition Date 2024-09-04

Release Date 2025-09-10

Last Version Date 2026-04-01

Entry Detail

PDB ID:

9JFM

Keywords:

HYDROLASE

Title:

Co-crystal Structure of sEH with tetrahydroberberine derivative

Biological Source:

Source Organism(s):

Homo sapiens (Taxon ID: 9606)

Expression System(s):

Escherichia coli bl21(de3)

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

3.13 Å

R-Value Free:

0.22

R-Value Work:

0.19

R-Value Observed:

0.19

Space Group:

P 65 2 2

Download Validation Report

Macromolecular Entities

Structures with similar UniProt ID

Protein Blast

Polymer Type:polypeptide(L)
Molecule:Bifunctional epoxide hydrolas
Gene (Uniprot):EPHX2
Chain IDs:A
Chain Length:555
Number of Molecules:1
Biological Source:Homo sapiens

UniProt ID:P34913 Pfam ID:PF00702, PF00561 EC:3.1.3.106

Ligand Molecules

A1EBK

PO4

Primary Citation

Redesigning Berberines and Sanguinarines to Target Soluble Epoxide Hydrolase for Enhanced Anti-Inflammatory Efficacy.

Liu, X.Z, Du, X.Y, Xie, W.S, Ding, J, Zhu, M.Z, Feng, Z.Q, Wang, H, Feng, Y, Yu, M.J, Liu, S.M, Liu, W.T, Zhu, X.H, Liang, J.H.Show

J.Med.Chem. 67 22168 22190 (2024)

PMID: 39658523 DOI: 10.1021/acs.jmedchem.4c02202

Primary Citation of related structures

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