3HAD
BIOCHEMICAL CHARACTERIZATION AND STRUCTURE DETERMINATION OF HUMAN HEART SHORT CHAIN L-3-HYDROXYACYL COA DEHYDROGENASE PROVIDE INSIGHT INTO CATALYTIC MECHANISM
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003857 | molecular_function | 3-hydroxyacyl-CoA dehydrogenase activity |
| A | 0005654 | cellular_component | nucleoplasm |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005759 | cellular_component | mitochondrial matrix |
| A | 0006629 | biological_process | lipid metabolic process |
| A | 0006631 | biological_process | fatty acid metabolic process |
| A | 0006635 | biological_process | fatty acid beta-oxidation |
| A | 0009410 | biological_process | response to xenobiotic stimulus |
| A | 0009725 | biological_process | response to hormone |
| A | 0014823 | biological_process | response to activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| A | 0016740 | molecular_function | transferase activity |
| A | 0032868 | biological_process | response to insulin |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0046676 | biological_process | negative regulation of insulin secretion |
| A | 0050796 | biological_process | regulation of insulin secretion |
| A | 0070403 | molecular_function | NAD+ binding |
| A | 0120162 | biological_process | positive regulation of cold-induced thermogenesis |
| B | 0003857 | molecular_function | 3-hydroxyacyl-CoA dehydrogenase activity |
| B | 0005654 | cellular_component | nucleoplasm |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0005759 | cellular_component | mitochondrial matrix |
| B | 0006629 | biological_process | lipid metabolic process |
| B | 0006631 | biological_process | fatty acid metabolic process |
| B | 0006635 | biological_process | fatty acid beta-oxidation |
| B | 0009410 | biological_process | response to xenobiotic stimulus |
| B | 0009725 | biological_process | response to hormone |
| B | 0014823 | biological_process | response to activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| B | 0016740 | molecular_function | transferase activity |
| B | 0032868 | biological_process | response to insulin |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0046676 | biological_process | negative regulation of insulin secretion |
| B | 0050796 | biological_process | regulation of insulin secretion |
| B | 0070403 | molecular_function | NAD+ binding |
| B | 0120162 | biological_process | positive regulation of cold-induced thermogenesis |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE NAD A 350 |
| Chain | Residue |
| A | ALA107 |
| A | ILE108 |
| A | VAL109 |
| A | GLU110 |
| A | LYS115 |
| A | ASN135 |
| A | THR136 |
| A | SER137 |
| A | HIS158 |
| A | PHE159 |
| A | HOH836 |
| A | HOH901 |
| A | HOH929 |
| A | HOH1002 |
| A | HOH1016 |
| A | HOH1045 |
| A | HOH1047 |
| A | HOH1067 |
| A | HOH1080 |
| A | GLY24 |
| A | LEU25 |
| A | MET26 |
| A | ASP45 |
| A | GLN46 |
| site_id | AC2 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE NAD B 750 |
| Chain | Residue |
| B | GLY22 |
| B | GLY24 |
| B | LEU25 |
| B | MET26 |
| B | ASP45 |
| B | GLN46 |
| B | ALA107 |
| B | ILE108 |
| B | VAL109 |
| B | GLU110 |
| B | LYS115 |
| B | ASN135 |
| B | THR136 |
| B | SER137 |
| B | HIS158 |
| B | PHE159 |
| B | HOH1093 |
| site_id | ASA |
| Number of Residues | 2 |
| Details | ACTIVE SITE RESIDUES |
| Chain | Residue |
| A | HIS158 |
| A | GLU170 |
| site_id | ASB |
| Number of Residues | 2 |
| Details | ACTIVE SITE RESIDUES |
| Chain | Residue |
| B | HIS158 |
| B | GLU170 |
Functional Information from PROSITE/UniProt
| site_id | PS00067 |
| Number of Residues | 25 |
| Details | 3HCDH 3-hydroxyacyl-CoA dehydrogenase signature. DtpGFIvNRllvPYLmeair.LYerG |
| Chain | Residue | Details |
| A | ASP201-GLY225 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 14 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10231530, ECO:0000269|PubMed:10840044 |
| Chain | Residue | Details |
| A | GLY22 | |
| B | GLU110 | |
| B | LYS115 | |
| B | SER137 | |
| B | ASN161 | |
| B | LYS293 | |
| A | ASP45 | |
| A | GLU110 | |
| A | LYS115 | |
| A | SER137 | |
| A | ASN161 | |
| A | LYS293 | |
| B | GLY22 | |
| B | ASP45 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10840044 |
| Chain | Residue | Details |
| A | SER61 | |
| A | LYS68 | |
| B | SER61 | |
| B | LYS68 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | SITE: Important for catalytic activity => ECO:0000305 |
| Chain | Residue | Details |
| A | HIS158 | |
| B | HIS158 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | MOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:Q61425 |
| Chain | Residue | Details |
| A | LYS68 | |
| A | LYS194 | |
| B | LYS68 | |
| B | LYS194 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 18 |
| Details | MOD_RES: N6-succinyllysine; alternate => ECO:0000250|UniProtKB:Q61425 |
| Chain | Residue | Details |
| A | LYS69 | |
| B | LYS69 | |
| B | LYS75 | |
| B | LYS124 | |
| B | LYS173 | |
| B | LYS180 | |
| B | LYS190 | |
| B | LYS200 | |
| B | LYS229 | |
| B | LYS300 | |
| A | LYS75 | |
| A | LYS124 | |
| A | LYS173 | |
| A | LYS180 | |
| A | LYS190 | |
| A | LYS200 | |
| A | LYS229 | |
| A | LYS300 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:Q61425 |
| Chain | Residue | Details |
| A | LYS113 | |
| A | LYS167 | |
| B | LYS113 | |
| B | LYS167 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| Details | MOD_RES: N6-(2-hydroxyisobutyryl)lysine => ECO:0000269|PubMed:29192674 |
| Chain | Residue | Details |
| A | LYS115 | |
| B | LYS115 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 336 |
| Chain | Residue | Details |
| A | SER137 | electrostatic stabiliser, hydrogen bond donor |
| A | HIS158 | proton acceptor, proton donor |
| A | GLU170 | electrostatic stabiliser, hydrogen bond acceptor, increase basicity |
| A | ASN208 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA2 |
| Number of Residues | 4 |
| Details | M-CSA 336 |
| Chain | Residue | Details |
| B | SER137 | electrostatic stabiliser, hydrogen bond donor |
| B | HIS158 | proton acceptor, proton donor |
| B | GLU170 | electrostatic stabiliser, hydrogen bond acceptor, increase basicity |
| B | ASN208 | electrostatic stabiliser, hydrogen bond donor |
