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1DQ9

COMPLEX OF CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH HMG-COA

Functional Information from GO Data
ChainGOidnamespacecontents
A0004420molecular_functionhydroxymethylglutaryl-CoA reductase (NADPH) activity
A0005789cellular_componentendoplasmic reticulum membrane
A0008299biological_processisoprenoid biosynthetic process
A0015936biological_processcoenzyme A metabolic process
A0016616molecular_functionoxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
A0050661molecular_functionNADP binding
B0004420molecular_functionhydroxymethylglutaryl-CoA reductase (NADPH) activity
B0005789cellular_componentendoplasmic reticulum membrane
B0008299biological_processisoprenoid biosynthetic process
B0015936biological_processcoenzyme A metabolic process
B0016616molecular_functionoxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
B0050661molecular_functionNADP binding
C0004420molecular_functionhydroxymethylglutaryl-CoA reductase (NADPH) activity
C0005789cellular_componentendoplasmic reticulum membrane
C0008299biological_processisoprenoid biosynthetic process
C0015936biological_processcoenzyme A metabolic process
C0016616molecular_functionoxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
C0050661molecular_functionNADP binding
D0004420molecular_functionhydroxymethylglutaryl-CoA reductase (NADPH) activity
D0005789cellular_componentendoplasmic reticulum membrane
D0008299biological_processisoprenoid biosynthetic process
D0015936biological_processcoenzyme A metabolic process
D0016616molecular_functionoxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
D0050661molecular_functionNADP binding
Functional Information from PDB Data
site_idAC1
Number of Residues23
DetailsBINDING SITE FOR RESIDUE HMG A 101
ChainResidue
AGLU559
AALA751
AHIS752
ASER852
ALEU853
AALA856
ALEU862
ASER865
BTYR479
BGLU528
BARG590
AALA564
BSER684
BASP690
BLYS691
BLYS692
ASER565
AASN567
AARG568
AARG571
AVAL720
ALYS722
ALYS735

site_idAC2
Number of Residues20
DetailsBINDING SITE FOR RESIDUE HMG B 102
ChainResidue
ATYR479
AGLU528
AARG590
ASER684
AASP690
ALYS691
ALYS692
BGLU559
BALA564
BSER565
BASN567
BARG568
BARG571
BVAL720
BLYS722
BLYS735
BHIS752
BASN755
BSER852
BLEU853

site_idAC3
Number of Residues26
DetailsBINDING SITE FOR RESIDUE HMG C 103
ChainResidue
CGLU559
CALA564
CSER565
CASN567
CARG568
CARG571
CVAL720
CLYS722
CLYS735
CALA751
CHIS752
CASN755
CSER852
CLEU853
CALA856
CLEU862
CSER865
CHIS866
DTYR479
DGLU528
DASN529
DARG590
DSER684
DASP690
DLYS691
DLYS692

site_idAC4
Number of Residues25
DetailsBINDING SITE FOR RESIDUE HMG D 104
ChainResidue
CPRO477
CTYR479
CGLU528
CASN529
CARG590
CSER684
CASP690
CLYS691
CLYS692
DGLU559
DALA564
DSER565
DASN567
DARG568
DARG571
DVAL720
DLYS722
DLYS735
DALA751
DHIS752
DSER852
DLEU853
DALA856
DLEU862
DSER865

Functional Information from PROSITE/UniProt
site_idPS00066
Number of Residues15
DetailsHMG_COA_REDUCTASE_1 Hydroxymethylglutaryl-coenzyme A reductases signature 1. RfQSrSGDaMGmNmI
ChainResidueDetails
AARG646-ILE660

site_idPS00318
Number of Residues8
DetailsHMG_COA_REDUCTASE_2 Hydroxymethylglutaryl-coenzyme A reductases signature 2. IGtVGGGT
ChainResidueDetails
AILE802-THR809

site_idPS01192
Number of Residues14
DetailsHMG_COA_REDUCTASE_3 Hydroxymethylglutaryl-coenzyme A reductases signature 3. ALaAghLvKSHMiH
ChainResidueDetails
AALA856-HIS869

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues12
DetailsACT_SITE: Charge relay system => ECO:0000303|PubMed:10698924, ECO:0000303|PubMed:11349148
ChainResidueDetails
AGLU559
DGLU559
DLYS691
DASP767
ALYS691
AASP767
BGLU559
BLYS691
BASP767
CGLU559
CLYS691
CASP767

site_idSWS_FT_FI2
Number of Residues4
DetailsACT_SITE: Proton donor => ECO:0000255|PROSITE-ProRule:PRU10003
ChainResidueDetails
AHIS866
BHIS866
CHIS866
DHIS866

site_idSWS_FT_FI3
Number of Residues24
DetailsBINDING: BINDING => ECO:0000269|PubMed:11349148, ECO:0007744|PDB:1DQA
ChainResidueDetails
ASER565
BVAL720
BSER865
BASN870
CSER565
CSER626
CASP653
CVAL720
CSER865
CASN870
DSER565
ASER626
DSER626
DASP653
DVAL720
DSER865
DASN870
AASP653
AVAL720
ASER865
AASN870
BSER565
BSER626
BASP653

site_idSWS_FT_FI4
Number of Residues4
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163
ChainResidueDetails
ASER504
BSER504
CSER504
DSER504

site_idSWS_FT_FI5
Number of Residues4
DetailsMOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P00347, ECO:0007744|PubMed:24275569
ChainResidueDetails
ASER872
BSER872
CSER872
DSER872

Catalytic Information from CSA
site_idMCSA1
Number of Residues4
DetailsM-CSA 93
ChainResidueDetails
AGLU559electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
ALYS691electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor
AASP767activator, electrostatic stabiliser, hydrogen bond acceptor
AHIS866hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

site_idMCSA2
Number of Residues4
DetailsM-CSA 93
ChainResidueDetails
BGLU559electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
BLYS691electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor
BASP767activator, electrostatic stabiliser, hydrogen bond acceptor
BHIS866hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

site_idMCSA3
Number of Residues4
DetailsM-CSA 93
ChainResidueDetails
CGLU559electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
CLYS691electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor
CASP767activator, electrostatic stabiliser, hydrogen bond acceptor
CHIS866hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

site_idMCSA4
Number of Residues4
DetailsM-CSA 93
ChainResidueDetails
DGLU559electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
DLYS691electrostatic stabiliser, hydrogen bond donor, proton acceptor, proton donor
DASP767activator, electrostatic stabiliser, hydrogen bond acceptor
DHIS866hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor

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PDB entries from 2024-03-27

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