6DIO
Structure of class II HMG-CoA reductase from Delftia acidovorans with NAD bound
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0000166 | molecular_function | nucleotide binding |
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 | 0000166 | molecular_function | nucleotide binding |
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 |
C | 0000166 | molecular_function | nucleotide binding |
C | 0004420 | molecular_function | hydroxymethylglutaryl-CoA reductase (NADPH) activity |
C | 0005778 | cellular_component | peroxisomal membrane |
C | 0006696 | biological_process | ergosterol biosynthetic process |
C | 0008299 | biological_process | isoprenoid biosynthetic process |
C | 0015936 | biological_process | coenzyme A metabolic process |
C | 0016491 | molecular_function | oxidoreductase activity |
C | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
C | 0140643 | molecular_function | hydroxymethylglutaryl-CoA reductase (NADH) activity |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 28 |
Details | binding site for residue NAD A 501 |
Chain | Residue |
A | ASP146 |
A | ALA187 |
A | ASN188 |
A | THR189 |
A | LEU214 |
A | ASN216 |
A | ASP283 |
A | ALA286 |
A | VAL328 |
A | GLY329 |
A | GLY330 |
A | VAL148 |
A | EDO507 |
A | HOH655 |
B | GLU83 |
B | THR264 |
B | LYS267 |
B | ARG428 |
B | CIT502 |
B | EDO512 |
B | HOH623 |
A | LEU152 |
A | VAL181 |
A | ARG182 |
A | ASP183 |
A | ALA184 |
A | MET185 |
A | GLY186 |
site_id | AC2 |
Number of Residues | 14 |
Details | binding site for residue CIT A 502 |
Chain | Residue |
A | GLU83 |
A | ARG261 |
A | THR264 |
A | LYS267 |
A | GLY268 |
A | ASN271 |
A | ALA368 |
A | LEU372 |
A | EDO506 |
A | HOH643 |
A | HOH745 |
A | HOH753 |
B | ILE213 |
B | NAD501 |
site_id | AC3 |
Number of Residues | 7 |
Details | binding site for residue SO4 A 503 |
Chain | Residue |
A | HIS125 |
A | PRO165 |
A | TYR252 |
A | EDO511 |
A | HOH615 |
A | HOH624 |
A | HOH681 |
site_id | AC4 |
Number of Residues | 2 |
Details | binding site for residue SO4 A 504 |
Chain | Residue |
A | ARG228 |
A | THR230 |
site_id | AC5 |
Number of Residues | 3 |
Details | binding site for residue EDO A 505 |
Chain | Residue |
A | THR108 |
A | LEU109 |
A | ARG135 |
site_id | AC6 |
Number of Residues | 5 |
Details | binding site for residue EDO A 506 |
Chain | Residue |
A | SER85 |
A | ALA89 |
A | CIT502 |
A | HOH739 |
A | HOH753 |
site_id | AC7 |
Number of Residues | 8 |
Details | binding site for residue EDO A 507 |
Chain | Residue |
A | ASN191 |
A | GLU195 |
A | ARG212 |
A | ILE213 |
A | NAD501 |
A | HOH771 |
B | LEU372 |
B | CIT502 |
site_id | AC8 |
Number of Residues | 5 |
Details | binding site for residue EDO A 508 |
Chain | Residue |
A | ARG128 |
A | ARG306 |
A | SER318 |
A | GLU320 |
A | HOH727 |
site_id | AC9 |
Number of Residues | 8 |
Details | binding site for residue EDO A 509 |
Chain | Residue |
A | ARG145 |
A | ASP146 |
A | THR189 |
A | THR192 |
A | MET193 |
A | HOH620 |
A | HOH642 |
A | HOH795 |
site_id | AD1 |
Number of Residues | 6 |
Details | binding site for residue EDO A 510 |
Chain | Residue |
A | VAL209 |
A | ARG210 |
A | ARG212 |
B | ARG239 |
B | ALA373 |
B | GLU375 |
site_id | AD2 |
Number of Residues | 5 |
Details | binding site for residue EDO A 511 |
Chain | Residue |
A | TYR252 |
A | THR253 |
A | TRP307 |
A | SO4503 |
B | ARG169 |
site_id | AD3 |
Number of Residues | 21 |
Details | binding site for residue NAD B 501 |
Chain | Residue |
B | ASP183 |
B | ALA184 |
B | MET185 |
B | GLY186 |
B | ALA187 |
B | ASN188 |
B | THR189 |
B | LEU214 |
B | ASN216 |
B | ASP283 |
B | GLY329 |
B | HOH703 |
B | HOH779 |
A | GLU83 |
A | LYS267 |
A | CIT502 |
A | HOH658 |
B | ASP146 |
B | LEU152 |
B | VAL181 |
B | ARG182 |
site_id | AD4 |
Number of Residues | 15 |
Details | binding site for residue CIT B 502 |
Chain | Residue |
A | ILE213 |
A | NAD501 |
A | EDO507 |
B | GLU83 |
B | ARG261 |
B | THR264 |
B | LYS267 |
B | GLY268 |
B | ASN271 |
B | ALA368 |
B | LEU372 |
B | HOH645 |
B | HOH649 |
B | HOH680 |
B | HOH733 |
site_id | AD5 |
Number of Residues | 4 |
Details | binding site for residue SO4 B 503 |
Chain | Residue |
B | ASN9 |
B | ARG11 |
B | EDO516 |
B | HOH700 |
site_id | AD6 |
Number of Residues | 6 |
Details | binding site for residue SO4 B 504 |
Chain | Residue |
B | TYR252 |
B | HOH704 |
B | HOH740 |
B | HOH746 |
C | HIS125 |
C | PRO165 |
site_id | AD7 |
Number of Residues | 7 |
Details | binding site for residue SO4 B 505 |
Chain | Residue |
B | HIS125 |
B | PRO165 |
B | HOH612 |
B | HOH635 |
B | HOH751 |
C | TYR252 |
C | HOH736 |
site_id | AD8 |
Number of Residues | 2 |
Details | binding site for residue SO4 B 506 |
Chain | Residue |
B | HIS385 |
B | ASN388 |
site_id | AD9 |
Number of Residues | 3 |
Details | binding site for residue SO4 B 507 |
Chain | Residue |
B | ARG228 |
B | THR230 |
B | HOH782 |
site_id | AE1 |
Number of Residues | 3 |
Details | binding site for residue SO4 B 508 |
Chain | Residue |
B | ILE389 |
B | ARG414 |
B | THR415 |
site_id | AE2 |
Number of Residues | 4 |
Details | binding site for residue EDO B 509 |
Chain | Residue |
B | THR108 |
B | LEU109 |
C | ARG135 |
C | HOH627 |
site_id | AE3 |
Number of Residues | 2 |
Details | binding site for residue EDO B 510 |
Chain | Residue |
B | ILE204 |
B | HOH657 |
site_id | AE4 |
Number of Residues | 6 |
Details | binding site for residue EDO B 511 |
Chain | Residue |
B | ARG306 |
B | SER318 |
B | GLU320 |
B | EDO518 |
C | ARG128 |
C | HOH691 |
site_id | AE5 |
Number of Residues | 7 |
Details | binding site for residue EDO B 512 |
Chain | Residue |
A | GLY330 |
A | NAD501 |
B | PRO84 |
B | ARG428 |
B | HOH610 |
B | HOH673 |
B | HOH735 |
site_id | AE6 |
Number of Residues | 3 |
Details | binding site for residue EDO B 513 |
Chain | Residue |
B | GLY380 |
B | MET382 |
B | ALA383 |
site_id | AE7 |
Number of Residues | 5 |
Details | binding site for residue EDO B 514 |
Chain | Residue |
B | ARG128 |
B | VAL161 |
B | HIS162 |
B | VAL163 |
B | EDO519 |
site_id | AE8 |
Number of Residues | 3 |
Details | binding site for residue EDO B 515 |
Chain | Residue |
B | GLY397 |
B | ASP398 |
C | HOH685 |
site_id | AE9 |
Number of Residues | 5 |
Details | binding site for residue EDO B 516 |
Chain | Residue |
B | ARG11 |
B | ASN67 |
B | TYR92 |
B | SO4503 |
B | HOH607 |
site_id | AF1 |
Number of Residues | 6 |
Details | binding site for residue EDO B 517 |
Chain | Residue |
A | GLY299 |
A | SER300 |
B | SER296 |
B | ARG297 |
B | GLY299 |
B | HOH634 |
site_id | AF2 |
Number of Residues | 6 |
Details | binding site for residue EDO B 518 |
Chain | Residue |
B | ARG306 |
B | EDO511 |
C | VAL163 |
C | EDO512 |
C | HOH605 |
C | HOH808 |
site_id | AF3 |
Number of Residues | 7 |
Details | binding site for residue EDO B 519 |
Chain | Residue |
B | HIS125 |
B | EDO514 |
B | HOH614 |
B | HOH658 |
C | ARG306 |
C | EDO514 |
C | HOH611 |
site_id | AF4 |
Number of Residues | 26 |
Details | binding site for residue NAD C 501 |
Chain | Residue |
C | GLU83 |
C | ASP146 |
C | VAL148 |
C | LEU152 |
C | VAL181 |
C | ARG182 |
C | ASP183 |
C | ALA184 |
C | MET185 |
C | GLY186 |
C | ALA187 |
C | ASN188 |
C | THR189 |
C | ASN191 |
C | LEU214 |
C | ASN216 |
C | LYS267 |
C | ASP283 |
C | VAL328 |
C | GLY329 |
C | GLY330 |
C | ARG428 |
C | CIT502 |
C | HOH630 |
C | HOH686 |
C | HOH730 |
site_id | AF5 |
Number of Residues | 13 |
Details | binding site for residue CIT C 502 |
Chain | Residue |
C | GLU83 |
C | ARG261 |
C | THR264 |
C | LYS267 |
C | GLY268 |
C | ASN271 |
C | ALA368 |
C | LEU372 |
C | NAD501 |
C | HOH677 |
C | HOH742 |
C | HOH748 |
C | HOH755 |
site_id | AF6 |
Number of Residues | 1 |
Details | binding site for residue SO4 C 503 |
Chain | Residue |
C | ARG228 |
site_id | AF7 |
Number of Residues | 3 |
Details | binding site for residue SO4 C 504 |
Chain | Residue |
C | ARG239 |
C | ILE377 |
C | GLN378 |
site_id | AF8 |
Number of Residues | 4 |
Details | binding site for residue EDO C 505 |
Chain | Residue |
B | ARG135 |
C | THR108 |
C | LEU109 |
C | HOH616 |
site_id | AF9 |
Number of Residues | 7 |
Details | binding site for residue EDO C 506 |
Chain | Residue |
C | LEU7 |
C | ASN9 |
C | PHE10 |
C | ARG11 |
C | EDO509 |
C | HOH775 |
C | HOH832 |
site_id | AG1 |
Number of Residues | 3 |
Details | binding site for residue EDO C 507 |
Chain | Residue |
C | GLN137 |
C | GLU140 |
C | ARG141 |
site_id | AG2 |
Number of Residues | 5 |
Details | binding site for residue EDO C 508 |
Chain | Residue |
C | MET50 |
C | GLY330 |
C | LEU425 |
C | HOH609 |
C | HOH753 |
site_id | AG3 |
Number of Residues | 5 |
Details | binding site for residue EDO C 509 |
Chain | Residue |
C | ASN67 |
C | LYS95 |
C | EDO506 |
C | HOH654 |
C | HOH801 |
site_id | AG4 |
Number of Residues | 2 |
Details | binding site for residue EDO C 510 |
Chain | Residue |
C | ARG339 |
C | HOH767 |
site_id | AG5 |
Number of Residues | 3 |
Details | binding site for residue EDO C 511 |
Chain | Residue |
C | HIS385 |
C | ASN388 |
C | HOH812 |
site_id | AG6 |
Number of Residues | 3 |
Details | binding site for residue EDO C 512 |
Chain | Residue |
B | ARG297 |
B | EDO518 |
C | HIS162 |
site_id | AG7 |
Number of Residues | 3 |
Details | binding site for residue EDO C 513 |
Chain | Residue |
C | GLY376 |
C | GLY380 |
C | ALA383 |
site_id | AG8 |
Number of Residues | 8 |
Details | binding site for residue EDO C 514 |
Chain | Residue |
B | HIS125 |
B | ARG128 |
B | EDO519 |
C | ARG306 |
C | SER318 |
C | GLU320 |
C | HOH611 |
C | HOH689 |
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 |