1EK2
CRYSTAL STRUCTURE OF MURINE SOLUBLE EPOXIDE HYDROLASE COMPLEXED WITH CDU INHIBITOR
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0002539 | biological_process | prostaglandin production involved in inflammatory response |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004301 | molecular_function | epoxide hydrolase activity |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005777 | cellular_component | peroxisome |
| A | 0005829 | cellular_component | cytosol |
| A | 0006629 | biological_process | lipid metabolic process |
| A | 0009056 | biological_process | catabolic process |
| A | 0009636 | biological_process | response to toxic substance |
| A | 0010628 | biological_process | positive regulation of gene expression |
| A | 0015643 | molecular_function | toxic substance binding |
| A | 0016311 | biological_process | dephosphorylation |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0016791 | molecular_function | phosphatase activity |
| A | 0033885 | molecular_function | 10-hydroxy-9-(phosphonooxy)octadecanoate phosphatase activity |
| A | 0042577 | molecular_function | lipid phosphatase activity |
| A | 0042632 | biological_process | cholesterol homeostasis |
| A | 0042803 | molecular_function | protein homodimerization activity |
| A | 0043651 | biological_process | linoleic acid metabolic process |
| A | 0045777 | biological_process | positive regulation of blood pressure |
| A | 0046272 | biological_process | stilbene catabolic process |
| A | 0046839 | biological_process | phospholipid dephosphorylation |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0052642 | molecular_function | lysophosphatidic acid phosphatase activity |
| A | 0090181 | biological_process | regulation of cholesterol metabolic process |
| A | 0097176 | biological_process | epoxide metabolic process |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0002539 | biological_process | prostaglandin production involved in inflammatory response |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0004301 | molecular_function | epoxide hydrolase activity |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005777 | cellular_component | peroxisome |
| B | 0005829 | cellular_component | cytosol |
| B | 0006629 | biological_process | lipid metabolic process |
| B | 0009056 | biological_process | catabolic process |
| B | 0009636 | biological_process | response to toxic substance |
| B | 0010628 | biological_process | positive regulation of gene expression |
| B | 0015643 | molecular_function | toxic substance binding |
| B | 0016311 | biological_process | dephosphorylation |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0016791 | molecular_function | phosphatase activity |
| B | 0033885 | molecular_function | 10-hydroxy-9-(phosphonooxy)octadecanoate phosphatase activity |
| B | 0042577 | molecular_function | lipid phosphatase activity |
| B | 0042632 | biological_process | cholesterol homeostasis |
| B | 0042803 | molecular_function | protein homodimerization activity |
| B | 0043651 | biological_process | linoleic acid metabolic process |
| B | 0045777 | biological_process | positive regulation of blood pressure |
| B | 0046272 | biological_process | stilbene catabolic process |
| B | 0046839 | biological_process | phospholipid dephosphorylation |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0052642 | molecular_function | lysophosphatidic acid phosphatase activity |
| B | 0090181 | biological_process | regulation of cholesterol metabolic process |
| B | 0097176 | biological_process | epoxide metabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE CDU A 1100 |
| Chain | Residue |
| A | PHE265 |
| A | ASP333 |
| A | VAL337 |
| A | TYR381 |
| A | GLN382 |
| A | PHE406 |
| A | TYR465 |
| A | HIS523 |
| A | TRP524 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE CDU B 1200 |
| Chain | Residue |
| B | PHE265 |
| B | ASP333 |
| B | MET361 |
| B | TYR381 |
| B | GLN382 |
| B | PHE406 |
| B | TYR465 |
| B | ASN471 |
| B | HIS523 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Nucleophile => ECO:0000269|PubMed:10485878, ECO:0000269|PubMed:10747889 |
| Chain | Residue | Details |
| A | ASP333 | |
| B | ASP333 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton donor => ECO:0000269|PubMed:10485878, ECO:0000269|PubMed:10747889 |
| Chain | Residue | Details |
| A | TYR465 | |
| B | TYR465 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton acceptor => ECO:0000269|PubMed:10485878, ECO:0000269|PubMed:10747889 |
| Chain | Residue | Details |
| A | HIS523 | |
| B | HIS523 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 10 |
| Details | BINDING: BINDING => ECO:0000250|UniProtKB:P34913 |
| Chain | Residue | Details |
| A | ASP9 | |
| B | TYR381 | |
| A | ASP11 | |
| A | THR123 | |
| A | ASP185 | |
| A | TYR381 | |
| B | ASP9 | |
| B | ASP11 | |
| B | THR123 | |
| B | ASP185 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 12 |
| Details | MOD_RES: N6-succinyllysine => ECO:0007744|PubMed:23806337 |
| Chain | Residue | Details |
| A | LYS55 | |
| B | LYS454 | |
| B | LYS504 | |
| B | LYS553 | |
| A | LYS371 | |
| A | LYS420 | |
| A | LYS454 | |
| A | LYS504 | |
| A | LYS553 | |
| B | LYS55 | |
| B | LYS371 | |
| B | LYS420 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | MOD_RES: N6-succinyllysine; alternate => ECO:0007744|PubMed:23806337 |
| Chain | Residue | Details |
| A | LYS176 | |
| A | LYS508 | |
| B | LYS176 | |
| B | LYS508 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 4 |
| Details | MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:23576753 |
| Chain | Residue | Details |
| A | LYS191 | |
| A | LYS215 | |
| B | LYS191 | |
| B | LYS215 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:17242355, ECO:0007744|PubMed:21183079 |
| Chain | Residue | Details |
| A | SER368 | |
| B | SER368 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 2 |
| Details | LIPID: S-(15-deoxy-Delta12,14-prostaglandin J2-9-yl)cysteine => ECO:0000250 |
| Chain | Residue | Details |
| A | CYS521 | |
| B | CYS521 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1b6g |
| Chain | Residue | Details |
| A | HIS523 | |
| A | ASP495 | |
| A | ASP333 |
| site_id | CSA2 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1b6g |
| Chain | Residue | Details |
| B | HIS523 | |
| B | ASP495 | |
| B | ASP333 |
| site_id | CSA3 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1b6g |
| Chain | Residue | Details |
| A | THR123 | |
| A | LYS160 |
| site_id | CSA4 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1b6g |
| Chain | Residue | Details |
| B | THR123 | |
| B | LYS160 |
