4I4B
HMG-CoA Reductase from Pseudomonas mevalonii complexed with NAD and intermediate hemiacetal form of HMG-CoA
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0004420 | molecular_function | hydroxymethylglutaryl-CoA reductase (NADPH) activity |
A | 0005778 | cellular_component | peroxisomal membrane |
A | 0006696 | biological_process | ergosterol biosynthetic process |
A | 0008299 | biological_process | isoprenoid biosynthetic process |
A | 0015936 | biological_process | coenzyme A metabolic process |
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 | 0140643 | molecular_function | hydroxymethylglutaryl-CoA reductase (NADH) activity |
B | 0004420 | molecular_function | hydroxymethylglutaryl-CoA reductase (NADPH) activity |
B | 0005778 | cellular_component | peroxisomal membrane |
B | 0006696 | biological_process | ergosterol biosynthetic process |
B | 0008299 | biological_process | isoprenoid biosynthetic process |
B | 0015936 | biological_process | coenzyme A metabolic process |
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 | 0140643 | molecular_function | hydroxymethylglutaryl-CoA reductase (NADH) activity |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 39 |
Details | BINDING SITE FOR RESIDUE 1CV A 501 |
Chain | Residue |
A | ARG11 |
A | LYS267 |
A | ASN271 |
A | GLY367 |
A | ALA368 |
A | ILE377 |
A | GLY380 |
A | LEU384 |
A | HOH601 |
A | HOH607 |
A | HOH614 |
A | GLU83 |
A | HOH635 |
A | HOH637 |
A | HOH640 |
A | HOH663 |
A | HOH717 |
A | HOH783 |
A | HOH792 |
A | HOH797 |
A | HOH813 |
A | HOH823 |
A | SER85 |
A | HOH835 |
A | HOH838 |
A | HOH879 |
A | HOH966 |
A | HOH972 |
A | HOH973 |
B | GLU552 |
B | ASN553 |
B | ILE713 |
B | NAD1001 |
A | ALA88 |
A | ALA89 |
A | TYR92 |
A | LYS95 |
A | ARG261 |
A | THR264 |
site_id | AC2 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE GOL A 502 |
Chain | Residue |
A | TYR294 |
A | ARG297 |
A | SER303 |
A | HOH625 |
A | HOH626 |
A | HOH686 |
A | HOH923 |
site_id | AC3 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE SO4 A 503 |
Chain | Residue |
A | ALA184 |
A | MET185 |
A | GLY186 |
A | ALA187 |
A | ASN188 |
A | THR189 |
A | GLY329 |
A | HOH666 |
A | HOH842 |
A | HOH868 |
A | HOH1020 |
site_id | AC4 |
Number of Residues | 31 |
Details | BINDING SITE FOR RESIDUE NAD B 1001 |
Chain | Residue |
A | GLU83 |
A | LYS267 |
A | HIS385 |
A | ILE389 |
A | VAL392 |
A | ALA415 |
A | 1CV501 |
A | HOH899 |
B | ASP646 |
B | LEU648 |
B | LEU652 |
B | VAL681 |
B | ARG682 |
B | ASP683 |
B | ALA684 |
B | MET685 |
B | GLY686 |
B | ALA687 |
B | ASN688 |
B | THR689 |
B | ASN691 |
B | LEU714 |
B | ASN716 |
B | ASP783 |
B | ALA786 |
B | GLY829 |
B | GLY830 |
B | HOH1110 |
B | HOH1112 |
B | HOH1152 |
B | HOH1300 |
site_id | AC5 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE 1CO B 1002 |
Chain | Residue |
A | ILE213 |
A | HOH762 |
B | GLU583 |
B | ARG761 |
B | THR764 |
B | LYS767 |
B | ASN771 |
B | ALA868 |
B | LEU872 |
B | HOH1103 |
B | HOH1157 |
site_id | AC6 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE GOL B 1003 |
Chain | Residue |
B | ARG506 |
B | ARG598 |
B | ALA599 |
B | HOH1206 |
B | HOH1283 |
site_id | AC7 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE GOL B 1004 |
Chain | Residue |
B | ALA589 |
B | GLN864 |
B | HOH1154 |
B | HOH1159 |
B | HOH1396 |
Functional Information from PROSITE/UniProt
site_id | PS00066 |
Number of Residues | 15 |
Details | HMG_COA_REDUCTASE_1 Hydroxymethylglutaryl-coenzyme A reductases signature 1. HlIVdVRDaMGaNtV |
Chain | Residue | Details |
A | HIS176-VAL190 |
site_id | PS00318 |
Number of Residues | 8 |
Details | HMG_COA_REDUCTASE_2 Hydroxymethylglutaryl-coenzyme A reductases signature 2. VGlVGGAT |
Chain | Residue | Details |
A | VAL325-THR332 |
site_id | PS01192 |
Number of Residues | 14 |
Details | HMG_COA_REDUCTASE_3 Hydroxymethylglutaryl-coenzyme A reductases signature 3. ALaTegIqRGHMaL |
Chain | Residue | Details |
A | ALA371-LEU384 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 6 |
Details | ACT_SITE: Charge relay system |
Chain | Residue | Details |
A | GLU83 | |
A | LYS267 | |
A | ASP283 | |
B | GLU583 | |
B | LYS767 | |
B | ASP783 |
site_id | SWS_FT_FI2 |
Number of Residues | 2 |
Details | ACT_SITE: Proton donor => ECO:0000255|PROSITE-ProRule:PRU10003, ECO:0000269|PubMed:1634543 |
Chain | Residue | Details |
A | HIS381 | |
B | HIS881 |