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2WYA

CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL 3-HYDROXY-3-METHYLGLUTARYL- COENZYME A SYNTHASE 2 (HMGCS2)

Replaces:  2V4W
Functional Information from GO Data
ChainGOidnamespacecontents
A0001822biological_processkidney development
A0001889biological_processliver development
A0004421molecular_functionhydroxymethylglutaryl-CoA synthase activity
A0005739cellular_componentmitochondrion
A0005759cellular_componentmitochondrial matrix
A0006084biological_processacetyl-CoA metabolic process
A0006695biological_processcholesterol biosynthetic process
A0007494biological_processmidgut development
A0007584biological_processresponse to nutrient
A0008299biological_processisoprenoid biosynthetic process
A0009266biological_processresponse to temperature stimulus
A0009410biological_processresponse to xenobiotic stimulus
A0009617biological_processresponse to bacterium
A0010038biological_processresponse to metal ion
A0010142biological_processfarnesyl diphosphate biosynthetic process, mevalonate pathway
A0014070biological_processresponse to organic cyclic compound
A0016740molecular_functiontransferase activity
A0016746molecular_functionacyltransferase activity
A0030324biological_processlung development
A0032868biological_processresponse to insulin
A0032869biological_processcellular response to insulin stimulus
A0032870biological_processcellular response to hormone stimulus
A0033555biological_processmulticellular organismal response to stress
A0033574biological_processresponse to testosterone
A0033762biological_processresponse to glucagon
A0034014biological_processresponse to triglyceride
A0034284biological_processresponse to monosaccharide
A0034696biological_processresponse to prostaglandin F
A0042594biological_processresponse to starvation
A0042802molecular_functionidentical protein binding
A0043434biological_processresponse to peptide hormone
A0045471biological_processresponse to ethanol
A0046951biological_processketone body biosynthetic process
A0051384biological_processresponse to glucocorticoid
A0051591biological_processresponse to cAMP
A0060416biological_processresponse to growth hormone
A0060612biological_processadipose tissue development
A0070542biological_processresponse to fatty acid
A0070543biological_processresponse to linoleic acid
A0071222biological_processcellular response to lipopolysaccharide
A0071230biological_processcellular response to amino acid stimulus
A0071385biological_processcellular response to glucocorticoid stimulus
A0071398biological_processcellular response to fatty acid
A0071407biological_processcellular response to organic cyclic compound
B0001822biological_processkidney development
B0001889biological_processliver development
B0004421molecular_functionhydroxymethylglutaryl-CoA synthase activity
B0005739cellular_componentmitochondrion
B0005759cellular_componentmitochondrial matrix
B0006084biological_processacetyl-CoA metabolic process
B0006695biological_processcholesterol biosynthetic process
B0007494biological_processmidgut development
B0007584biological_processresponse to nutrient
B0008299biological_processisoprenoid biosynthetic process
B0009266biological_processresponse to temperature stimulus
B0009410biological_processresponse to xenobiotic stimulus
B0009617biological_processresponse to bacterium
B0010038biological_processresponse to metal ion
B0010142biological_processfarnesyl diphosphate biosynthetic process, mevalonate pathway
B0014070biological_processresponse to organic cyclic compound
B0016740molecular_functiontransferase activity
B0016746molecular_functionacyltransferase activity
B0030324biological_processlung development
B0032868biological_processresponse to insulin
B0032869biological_processcellular response to insulin stimulus
B0032870biological_processcellular response to hormone stimulus
B0033555biological_processmulticellular organismal response to stress
B0033574biological_processresponse to testosterone
B0033762biological_processresponse to glucagon
B0034014biological_processresponse to triglyceride
B0034284biological_processresponse to monosaccharide
B0034696biological_processresponse to prostaglandin F
B0042594biological_processresponse to starvation
B0042802molecular_functionidentical protein binding
B0043434biological_processresponse to peptide hormone
B0045471biological_processresponse to ethanol
B0046951biological_processketone body biosynthetic process
B0051384biological_processresponse to glucocorticoid
B0051591biological_processresponse to cAMP
B0060416biological_processresponse to growth hormone
B0060612biological_processadipose tissue development
B0070542biological_processresponse to fatty acid
B0070543biological_processresponse to linoleic acid
B0071222biological_processcellular response to lipopolysaccharide
B0071230biological_processcellular response to amino acid stimulus
B0071385biological_processcellular response to glucocorticoid stimulus
B0071398biological_processcellular response to fatty acid
B0071407biological_processcellular response to organic cyclic compound
C0001822biological_processkidney development
C0001889biological_processliver development
C0004421molecular_functionhydroxymethylglutaryl-CoA synthase activity
C0005739cellular_componentmitochondrion
C0005759cellular_componentmitochondrial matrix
C0006084biological_processacetyl-CoA metabolic process
C0006695biological_processcholesterol biosynthetic process
C0007494biological_processmidgut development
C0007584biological_processresponse to nutrient
C0008299biological_processisoprenoid biosynthetic process
C0009266biological_processresponse to temperature stimulus
C0009410biological_processresponse to xenobiotic stimulus
C0009617biological_processresponse to bacterium
C0010038biological_processresponse to metal ion
C0010142biological_processfarnesyl diphosphate biosynthetic process, mevalonate pathway
C0014070biological_processresponse to organic cyclic compound
C0016740molecular_functiontransferase activity
C0016746molecular_functionacyltransferase activity
C0030324biological_processlung development
C0032868biological_processresponse to insulin
C0032869biological_processcellular response to insulin stimulus
C0032870biological_processcellular response to hormone stimulus
C0033555biological_processmulticellular organismal response to stress
C0033574biological_processresponse to testosterone
C0033762biological_processresponse to glucagon
C0034014biological_processresponse to triglyceride
C0034284biological_processresponse to monosaccharide
C0034696biological_processresponse to prostaglandin F
C0042594biological_processresponse to starvation
C0042802molecular_functionidentical protein binding
C0043434biological_processresponse to peptide hormone
C0045471biological_processresponse to ethanol
C0046951biological_processketone body biosynthetic process
C0051384biological_processresponse to glucocorticoid
C0051591biological_processresponse to cAMP
C0060416biological_processresponse to growth hormone
C0060612biological_processadipose tissue development
C0070542biological_processresponse to fatty acid
C0070543biological_processresponse to linoleic acid
C0071222biological_processcellular response to lipopolysaccharide
C0071230biological_processcellular response to amino acid stimulus
C0071385biological_processcellular response to glucocorticoid stimulus
C0071398biological_processcellular response to fatty acid
C0071407biological_processcellular response to organic cyclic compound
D0001822biological_processkidney development
D0001889biological_processliver development
D0004421molecular_functionhydroxymethylglutaryl-CoA synthase activity
D0005739cellular_componentmitochondrion
D0005759cellular_componentmitochondrial matrix
D0006084biological_processacetyl-CoA metabolic process
D0006695biological_processcholesterol biosynthetic process
D0007494biological_processmidgut development
D0007584biological_processresponse to nutrient
D0008299biological_processisoprenoid biosynthetic process
D0009266biological_processresponse to temperature stimulus
D0009410biological_processresponse to xenobiotic stimulus
D0009617biological_processresponse to bacterium
D0010038biological_processresponse to metal ion
D0010142biological_processfarnesyl diphosphate biosynthetic process, mevalonate pathway
D0014070biological_processresponse to organic cyclic compound
D0016740molecular_functiontransferase activity
D0016746molecular_functionacyltransferase activity
D0030324biological_processlung development
D0032868biological_processresponse to insulin
D0032869biological_processcellular response to insulin stimulus
D0032870biological_processcellular response to hormone stimulus
D0033555biological_processmulticellular organismal response to stress
D0033574biological_processresponse to testosterone
D0033762biological_processresponse to glucagon
D0034014biological_processresponse to triglyceride
D0034284biological_processresponse to monosaccharide
D0034696biological_processresponse to prostaglandin F
D0042594biological_processresponse to starvation
D0042802molecular_functionidentical protein binding
D0043434biological_processresponse to peptide hormone
D0045471biological_processresponse to ethanol
D0046951biological_processketone body biosynthetic process
D0051384biological_processresponse to glucocorticoid
D0051591biological_processresponse to cAMP
D0060416biological_processresponse to growth hormone
D0060612biological_processadipose tissue development
D0070542biological_processresponse to fatty acid
D0070543biological_processresponse to linoleic acid
D0071222biological_processcellular response to lipopolysaccharide
D0071230biological_processcellular response to amino acid stimulus
D0071385biological_processcellular response to glucocorticoid stimulus
D0071398biological_processcellular response to fatty acid
D0071407biological_processcellular response to organic cyclic compound
Functional Information from PDB Data
site_idAC1
Number of Residues27
DetailsBINDING SITE FOR RESIDUE HMG C 1509
ChainResidue
CGLU80
CASN204
CALA205
CTHR208
CPHE241
CGLY255
CSER258
CHIS301
CPRO303
CPHE304
CLYS310
CALA81
CASN380
CGLY413
CSER414
CHOH2136
CHOH2355
CHOH2356
CHOH2357
CHOH2358
CGLY82
CLYS83
CGLY87
CGLU132
CALA165
CCYS166
CTYR200

site_idAC2
Number of Residues28
DetailsBINDING SITE FOR RESIDUE HMG D 1509
ChainResidue
DGLU80
DALA81
DGLY82
DLYS83
DGLY87
DGLU132
DALA165
DCYS166
DTYR200
DASN204
DALA205
DTHR208
DPHE241
DGLY255
DSER258
DHIS301
DPRO303
DPHE304
DLYS306
DLYS310
DASN380
DGLY413
DSER414
DHOH2128
DHOH2217
DHOH2348
DHOH2349
DHOH2350

site_idAC3
Number of Residues28
DetailsBINDING SITE FOR RESIDUE HMG A 1509
ChainResidue
AGLU80
AALA81
AGLY82
ALYS83
AGLY87
AGLU132
AALA165
ACYS166
ATYR200
AASN204
AALA205
ATHR208
APHE241
AGLY255
ASER258
ATYR262
AHIS301
APRO303
APHE304
ALYS306
ALYS310
AASN380
AGLY413
ASER414
AHOH2144
AHOH2361
AHOH2363
AHOH2364

site_idAC4
Number of Residues30
DetailsBINDING SITE FOR RESIDUE HMG B 1509
ChainResidue
BTYR262
BHIS301
BPRO303
BPHE304
BLYS306
BLYS310
BASN380
BGLY413
BSER414
BHOH2149
BHOH2381
BHOH2382
BHOH2383
BHOH2384
BGLU80
BALA81
BGLY82
BLYS83
BVAL86
BGLY87
BGLU132
BALA165
BCYS166
BTYR200
BASN204
BALA205
BTHR208
BPHE241
BGLY255
BSER258

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 1510
ChainResidue
ASER440
ASER443
AHOH2365
BHIS396
BGLU401

Functional Information from PROSITE/UniProt
site_idPS01226
Number of Residues16
DetailsHMG_COA_SYNTHASE Hydroxymethylglutaryl-coenzyme A synthase active site. NtDIEGIDttNACYgG
ChainResidueDetails
AASN154-GLY169

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues8
DetailsACT_SITE: Proton donor/acceptor => ECO:0000305|PubMed:20346956
ChainResidueDetails
AGLU132
AHIS301
BGLU132
BHIS301
CGLU132
CHIS301
DGLU132
DHIS301

site_idSWS_FT_FI2
Number of Residues4
DetailsACT_SITE: Acyl-thioester intermediate => ECO:0000255|PROSITE-ProRule:PRU10116, ECO:0000269|PubMed:20346956
ChainResidueDetails
ACYS166
BCYS166
CCYS166
DCYS166

site_idSWS_FT_FI3
Number of Residues16
DetailsBINDING: BINDING => ECO:0000269|PubMed:20346956
ChainResidueDetails
AGLU80
CASN204
CSER258
CASN380
DGLU80
DASN204
DSER258
DASN380
AASN204
ASER258
AASN380
BGLU80
BASN204
BSER258
BASN380
CGLU80

site_idSWS_FT_FI4
Number of Residues12
DetailsMOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:P54869
ChainResidueDetails
ALYS52
DLYS52
DLYS221
DLYS333
ALYS221
ALYS333
BLYS52
BLYS221
BLYS333
CLYS52
CLYS221
CLYS333

site_idSWS_FT_FI5
Number of Residues32
DetailsMOD_RES: N6-succinyllysine; alternate => ECO:0000250|UniProtKB:P54869
ChainResidueDetails
ALYS83
BLYS256
BLYS342
BLYS350
BLYS354
BLYS358
BLYS447
BLYS473
CLYS83
CLYS256
CLYS342
ALYS256
CLYS350
CLYS354
CLYS358
CLYS447
CLYS473
DLYS83
DLYS256
DLYS342
DLYS350
DLYS354
ALYS342
DLYS358
DLYS447
DLYS473
ALYS350
ALYS354
ALYS358
ALYS447
ALYS473
BLYS83

site_idSWS_FT_FI6
Number of Residues12
DetailsMOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:P54869
ChainResidueDetails
ALYS243
DLYS243
DLYS306
DLYS437
ALYS306
ALYS437
BLYS243
BLYS306
BLYS437
CLYS243
CLYS306
CLYS437

site_idSWS_FT_FI7
Number of Residues4
DetailsMOD_RES: N6-succinyllysine; alternate => ECO:0000250|UniProtKB:Q2KIE6
ChainResidueDetails
ALYS310
BLYS310
CLYS310
DLYS310

site_idSWS_FT_FI8
Number of Residues8
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:24275569
ChainResidueDetails
ASER433
ASER440
BSER433
BSER440
CSER433
CSER440
DSER433
DSER440

site_idSWS_FT_FI9
Number of Residues4
DetailsMOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P54869
ChainResidueDetails
ASER456
BSER456
CSER456
DSER456

site_idSWS_FT_FI10
Number of Residues4
DetailsMOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P22791
ChainResidueDetails
ASER477
BSER477
CSER477
DSER477

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PDB entries from 2024-10-30

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