1DQ9
COMPLEX OF CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH HMG-COA
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0004420 | molecular_function | hydroxymethylglutaryl-CoA reductase (NADPH) activity |
A | 0005789 | cellular_component | endoplasmic reticulum membrane |
A | 0008299 | biological_process | isoprenoid biosynthetic process |
A | 0015936 | biological_process | coenzyme A metabolic process |
A | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
A | 0050661 | molecular_function | NADP binding |
B | 0004420 | molecular_function | hydroxymethylglutaryl-CoA reductase (NADPH) activity |
B | 0005789 | cellular_component | endoplasmic reticulum membrane |
B | 0008299 | biological_process | isoprenoid biosynthetic process |
B | 0015936 | biological_process | coenzyme A metabolic process |
B | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
B | 0050661 | molecular_function | NADP binding |
C | 0004420 | molecular_function | hydroxymethylglutaryl-CoA reductase (NADPH) activity |
C | 0005789 | cellular_component | endoplasmic reticulum membrane |
C | 0008299 | biological_process | isoprenoid biosynthetic process |
C | 0015936 | biological_process | coenzyme A metabolic process |
C | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
C | 0050661 | molecular_function | NADP binding |
D | 0004420 | molecular_function | hydroxymethylglutaryl-CoA reductase (NADPH) activity |
D | 0005789 | cellular_component | endoplasmic reticulum membrane |
D | 0008299 | biological_process | isoprenoid biosynthetic process |
D | 0015936 | biological_process | coenzyme A metabolic process |
D | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
D | 0050661 | molecular_function | NADP binding |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 23 |
Details | BINDING SITE FOR RESIDUE HMG A 101 |
Chain | Residue |
A | GLU559 |
A | ALA751 |
A | HIS752 |
A | SER852 |
A | LEU853 |
A | ALA856 |
A | LEU862 |
A | SER865 |
B | TYR479 |
B | GLU528 |
B | ARG590 |
A | ALA564 |
B | SER684 |
B | ASP690 |
B | LYS691 |
B | LYS692 |
A | SER565 |
A | ASN567 |
A | ARG568 |
A | ARG571 |
A | VAL720 |
A | LYS722 |
A | LYS735 |
site_id | AC2 |
Number of Residues | 20 |
Details | BINDING SITE FOR RESIDUE HMG B 102 |
Chain | Residue |
A | TYR479 |
A | GLU528 |
A | ARG590 |
A | SER684 |
A | ASP690 |
A | LYS691 |
A | LYS692 |
B | GLU559 |
B | ALA564 |
B | SER565 |
B | ASN567 |
B | ARG568 |
B | ARG571 |
B | VAL720 |
B | LYS722 |
B | LYS735 |
B | HIS752 |
B | ASN755 |
B | SER852 |
B | LEU853 |
site_id | AC3 |
Number of Residues | 26 |
Details | BINDING SITE FOR RESIDUE HMG C 103 |
Chain | Residue |
C | GLU559 |
C | ALA564 |
C | SER565 |
C | ASN567 |
C | ARG568 |
C | ARG571 |
C | VAL720 |
C | LYS722 |
C | LYS735 |
C | ALA751 |
C | HIS752 |
C | ASN755 |
C | SER852 |
C | LEU853 |
C | ALA856 |
C | LEU862 |
C | SER865 |
C | HIS866 |
D | TYR479 |
D | GLU528 |
D | ASN529 |
D | ARG590 |
D | SER684 |
D | ASP690 |
D | LYS691 |
D | LYS692 |
site_id | AC4 |
Number of Residues | 25 |
Details | BINDING SITE FOR RESIDUE HMG D 104 |
Chain | Residue |
C | PRO477 |
C | TYR479 |
C | GLU528 |
C | ASN529 |
C | ARG590 |
C | SER684 |
C | ASP690 |
C | LYS691 |
C | LYS692 |
D | GLU559 |
D | ALA564 |
D | SER565 |
D | ASN567 |
D | ARG568 |
D | ARG571 |
D | VAL720 |
D | LYS722 |
D | LYS735 |
D | ALA751 |
D | HIS752 |
D | SER852 |
D | LEU853 |
D | ALA856 |
D | LEU862 |
D | SER865 |
Functional Information from PROSITE/UniProt
site_id | PS00066 |
Number of Residues | 15 |
Details | HMG_COA_REDUCTASE_1 Hydroxymethylglutaryl-coenzyme A reductases signature 1. RfQSrSGDaMGmNmI |
Chain | Residue | Details |
A | ARG646-ILE660 |
site_id | PS00318 |
Number of Residues | 8 |
Details | HMG_COA_REDUCTASE_2 Hydroxymethylglutaryl-coenzyme A reductases signature 2. IGtVGGGT |
Chain | Residue | Details |
A | ILE802-THR809 |
site_id | PS01192 |
Number of Residues | 14 |
Details | HMG_COA_REDUCTASE_3 Hydroxymethylglutaryl-coenzyme A reductases signature 3. ALaAghLvKSHMiH |
Chain | Residue | Details |
A | ALA856-HIS869 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 12 |
Details | ACT_SITE: Charge relay system => ECO:0000303|PubMed:10698924, ECO:0000303|PubMed:11349148 |
Chain | Residue | Details |
A | GLU559 | |
D | GLU559 | |
D | LYS691 | |
D | ASP767 | |
A | LYS691 | |
A | ASP767 | |
B | GLU559 | |
B | LYS691 | |
B | ASP767 | |
C | GLU559 | |
C | LYS691 | |
C | ASP767 |
site_id | SWS_FT_FI2 |
Number of Residues | 4 |
Details | ACT_SITE: Proton donor => ECO:0000255|PROSITE-ProRule:PRU10003 |
Chain | Residue | Details |
A | HIS866 | |
B | HIS866 | |
C | HIS866 | |
D | HIS866 |
site_id | SWS_FT_FI3 |
Number of Residues | 24 |
Details | BINDING: BINDING => ECO:0000269|PubMed:11349148, ECO:0007744|PDB:1DQA |
Chain | Residue | Details |
A | SER565 | |
B | VAL720 | |
B | SER865 | |
B | ASN870 | |
C | SER565 | |
C | SER626 | |
C | ASP653 | |
C | VAL720 | |
C | SER865 | |
C | ASN870 | |
D | SER565 | |
A | SER626 | |
D | SER626 | |
D | ASP653 | |
D | VAL720 | |
D | SER865 | |
D | ASN870 | |
A | ASP653 | |
A | VAL720 | |
A | SER865 | |
A | ASN870 | |
B | SER565 | |
B | SER626 | |
B | ASP653 |
site_id | SWS_FT_FI4 |
Number of Residues | 4 |
Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163 |
Chain | Residue | Details |
A | SER504 | |
B | SER504 | |
C | SER504 | |
D | SER504 |
site_id | SWS_FT_FI5 |
Number of Residues | 4 |
Details | MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P00347, ECO:0007744|PubMed:24275569 |
Chain | Residue | Details |
A | SER872 | |
B | SER872 | |
C | SER872 | |
D | SER872 |
Catalytic Information from CSA
site_id | MCSA1 |
Number of Residues | 4 |
Details | M-CSA 93 |
Chain | Residue | Details |
A | GLU559 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
A | LYS691 | electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor |
A | ASP767 | activator, electrostatic stabiliser, hydrogen bond acceptor |
A | HIS866 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
site_id | MCSA2 |
Number of Residues | 4 |
Details | M-CSA 93 |
Chain | Residue | Details |
B | GLU559 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
B | LYS691 | electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor |
B | ASP767 | activator, electrostatic stabiliser, hydrogen bond acceptor |
B | HIS866 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
site_id | MCSA3 |
Number of Residues | 4 |
Details | M-CSA 93 |
Chain | Residue | Details |
C | GLU559 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
C | LYS691 | electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor |
C | ASP767 | activator, electrostatic stabiliser, hydrogen bond acceptor |
C | HIS866 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
site_id | MCSA4 |
Number of Residues | 4 |
Details | M-CSA 93 |
Chain | Residue | Details |
D | GLU559 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
D | LYS691 | electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor |
D | ASP767 | activator, electrostatic stabiliser, hydrogen bond acceptor |
D | HIS866 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |