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6HXH

Structure of the human ATP citrate lyase holoenzyme in complex with citrate, coenzyme A and Mg.ADP

Functional Information from GO Data
ChainGOidnamespacecontents
A0003824molecular_functioncatalytic activity
A0003878molecular_functionATP citrate synthase activity
A0006085biological_processacetyl-CoA biosynthetic process
A0006101biological_processcitrate metabolic process
A0046912molecular_functionacyltransferase activity, acyl groups converted into alkyl on transfer
B0003824molecular_functioncatalytic activity
B0003878molecular_functionATP citrate synthase activity
B0006085biological_processacetyl-CoA biosynthetic process
B0006101biological_processcitrate metabolic process
B0046912molecular_functionacyltransferase activity, acyl groups converted into alkyl on transfer
C0003824molecular_functioncatalytic activity
C0003878molecular_functionATP citrate synthase activity
C0006085biological_processacetyl-CoA biosynthetic process
C0006101biological_processcitrate metabolic process
C0046912molecular_functionacyltransferase activity, acyl groups converted into alkyl on transfer
D0003824molecular_functioncatalytic activity
D0003878molecular_functionATP citrate synthase activity
D0006085biological_processacetyl-CoA biosynthetic process
D0006101biological_processcitrate metabolic process
D0046912molecular_functionacyltransferase activity, acyl groups converted into alkyl on transfer
E0003824molecular_functioncatalytic activity
E0003878molecular_functionATP citrate synthase activity
E0006085biological_processacetyl-CoA biosynthetic process
E0006101biological_processcitrate metabolic process
E0046912molecular_functionacyltransferase activity, acyl groups converted into alkyl on transfer
F0003824molecular_functioncatalytic activity
F0003878molecular_functionATP citrate synthase activity
F0006085biological_processacetyl-CoA biosynthetic process
F0006101biological_processcitrate metabolic process
F0046912molecular_functionacyltransferase activity, acyl groups converted into alkyl on transfer
G0003824molecular_functioncatalytic activity
G0003878molecular_functionATP citrate synthase activity
G0006085biological_processacetyl-CoA biosynthetic process
G0006101biological_processcitrate metabolic process
G0046912molecular_functionacyltransferase activity, acyl groups converted into alkyl on transfer
H0003824molecular_functioncatalytic activity
H0003878molecular_functionATP citrate synthase activity
H0006085biological_processacetyl-CoA biosynthetic process
H0006101biological_processcitrate metabolic process
H0046912molecular_functionacyltransferase activity, acyl groups converted into alkyl on transfer
Functional Information from PDB Data
site_idAC1
Number of Residues4
Detailsbinding site for residue MG A 1201
ChainResidue
ASER308
AGLU599
APO41202
AFLC1203

site_idAC2
Number of Residues11
Detailsbinding site for residue PO4 A 1202
ChainResidue
AGLY664
AGLY665
AHIS760
AMG1201
AFLC1203
ACOA1204
AGLY281
AGLY282
AGLY283
ASER308
ASER663

site_idAC3
Number of Residues11
Detailsbinding site for residue FLC A 1203
ChainResidue
ASER308
AGLY309
ASER343
AALA345
AASN346
APHE347
ATHR348
AARG379
AMG1201
APO41202
ACOA1204

site_idAC4
Number of Residues20
Detailsbinding site for residue COA A 1204
ChainResidue
AGLY261
APHE533
APHE572
ASER574
AARG576
ASER577
AILE597
AGLU599
AALA624
ATHR625
AVAL626
APO41202
AFLC1203
BLYS964
BLEU969
BILE970
BILE973
BLYS1017
BLYS1018
BLEU1021

site_idAC5
Number of Residues17
Detailsbinding site for residue ADP A 1205
ChainResidue
AVAL56
ALYS58
AARG65
AARG66
AGLY67
APRO109
APHE110
AVAL111
AHIS113
AGLU118
AVAL140
AASN203
APRO204
ALEU215
AASP216
AMG1206
AHOH1302

site_idAC6
Number of Residues4
Detailsbinding site for residue MG A 1206
ChainResidue
AASN203
AASP216
AADP1205
AHOH1302

site_idAC7
Number of Residues20
Detailsbinding site for residue COA A 1207
ChainResidue
ALYS964
ALEU969
AILE970
AILE973
ALYS1017
ALYS1018
ALEU1021
BGLY261
BPHE347
BPHE533
BPHE572
BALA573
BSER574
BARG576
BSER577
BILE597
BALA624
BTHR625
BVAL626
BFLC1203

site_idAC8
Number of Residues4
Detailsbinding site for residue MG B 1201
ChainResidue
BSER308
BGLU599
BPO41202
BFLC1203

site_idAC9
Number of Residues10
Detailsbinding site for residue PO4 B 1202
ChainResidue
BMG1201
BFLC1203
BGLY281
BGLY282
BGLY283
BSER308
BSER663
BGLY664
BGLY665
BHIS760

site_idAD1
Number of Residues11
Detailsbinding site for residue FLC B 1203
ChainResidue
ACOA1207
BSER308
BGLY309
BSER343
BALA345
BASN346
BPHE347
BTHR348
BARG379
BMG1201
BPO41202

site_idAD2
Number of Residues18
Detailsbinding site for residue ADP B 1204
ChainResidue
BVAL56
BLYS58
BARG65
BARG66
BGLY67
BPRO109
BPHE110
BVAL111
BHIS113
BGLU118
BVAL140
BASN203
BPRO204
BLEU215
BASP216
BMG1205
BHOH1301
BHOH1302

site_idAD3
Number of Residues5
Detailsbinding site for residue MG B 1205
ChainResidue
BASN203
BASP216
BADP1204
BHOH1301
BHOH1302

site_idAD4
Number of Residues4
Detailsbinding site for residue MG C 1201
ChainResidue
CSER308
CGLU599
CPO41202
CFLC1203

site_idAD5
Number of Residues11
Detailsbinding site for residue PO4 C 1202
ChainResidue
CGLY281
CGLY282
CGLY283
CSER308
CSER663
CGLY664
CGLY665
CHIS760
CMG1201
CFLC1203
CCOA1204

site_idAD6
Number of Residues11
Detailsbinding site for residue FLC C 1203
ChainResidue
CSER308
CGLY309
CSER343
CALA345
CASN346
CPHE347
CTHR348
CARG379
CMG1201
CPO41202
CCOA1204

site_idAD7
Number of Residues21
Detailsbinding site for residue COA C 1204
ChainResidue
CGLY261
CPHE533
CPHE572
CSER574
CARG576
CSER577
CILE597
CGLU599
CALA624
CTHR625
CVAL626
CGLY664
CPO41202
CFLC1203
DLYS964
DLEU969
DILE970
DILE973
DLYS1017
DLYS1018
DLEU1021

site_idAD8
Number of Residues19
Detailsbinding site for residue ADP C 1205
ChainResidue
CVAL56
CLYS58
CARG65
CARG66
CGLY67
CVAL72
CPHE110
CVAL111
CHIS113
CGLU118
CGLY139
CVAL140
CASN203
CPRO204
CLEU215
CASP216
CMG1206
CHOH1301
CHOH1302

site_idAD9
Number of Residues5
Detailsbinding site for residue MG C 1206
ChainResidue
CASN203
CASP216
CADP1205
CHOH1301
CHOH1302

site_idAE1
Number of Residues4
Detailsbinding site for residue MG D 1201
ChainResidue
DSER308
DGLU599
DPO41202
DFLC1203

site_idAE2
Number of Residues10
Detailsbinding site for residue PO4 D 1202
ChainResidue
DGLY281
DGLY282
DGLY283
DSER308
DSER663
DGLY664
DGLY665
DHIS760
DMG1201
DFLC1203

site_idAE3
Number of Residues12
Detailsbinding site for residue FLC D 1203
ChainResidue
DALA280
DSER308
DGLY309
DSER343
DALA345
DASN346
DPHE347
DTHR348
DARG379
DMG1201
DPO41202
DCOA1204

site_idAE4
Number of Residues20
Detailsbinding site for residue COA D 1204
ChainResidue
CLYS964
CLEU969
CILE970
CILE973
CLYS1017
CLYS1018
CLEU1021
DGLY261
DPHE533
DPHE572
DSER574
DARG576
DSER577
DILE597
DGLU599
DALA624
DTHR625
DVAL626
DGLY664
DFLC1203

site_idAE5
Number of Residues18
Detailsbinding site for residue ADP D 1205
ChainResidue
DVAL56
DLYS58
DARG65
DARG66
DGLY67
DPRO109
DPHE110
DVAL111
DHIS113
DGLU118
DVAL140
DASN203
DPRO204
DLEU215
DASP216
DMG1206
DHOH1301
DHOH1302

site_idAE6
Number of Residues4
Detailsbinding site for residue MG D 1206
ChainResidue
DASN203
DASP216
DADP1205
DHOH1301

site_idAE7
Number of Residues4
Detailsbinding site for residue MG E 1201
ChainResidue
ESER308
EGLU599
EPO41202
EFLC1203

site_idAE8
Number of Residues9
Detailsbinding site for residue PO4 E 1202
ChainResidue
EGLY282
EGLY283
ESER308
ESER663
EGLY664
EGLY665
EHIS760
EMG1201
EFLC1203

site_idAE9
Number of Residues11
Detailsbinding site for residue FLC E 1203
ChainResidue
ESER308
EGLY309
ESER343
EALA345
EASN346
EPHE347
ETHR348
EARG379
EMG1201
EPO41202
ECOA1204

site_idAF1
Number of Residues19
Detailsbinding site for residue COA E 1204
ChainResidue
EGLY261
EPHE533
EPHE572
ESER574
EARG576
ESER577
EILE597
EGLU599
EALA624
ETHR625
EVAL626
EFLC1203
FLYS964
FLEU969
FILE970
FILE973
FLYS1017
FLYS1018
FLEU1021

site_idAF2
Number of Residues16
Detailsbinding site for residue ADP E 1205
ChainResidue
EVAL56
ELYS58
EARG65
EARG66
EGLY67
EPRO109
EVAL111
EHIS113
EGLU118
EVAL140
EASN203
EPRO204
ELEU215
EASP216
EMG1206
EHOH1301

site_idAF3
Number of Residues4
Detailsbinding site for residue MG E 1206
ChainResidue
EASN203
EASP216
EADP1205
EHOH1301

site_idAF4
Number of Residues4
Detailsbinding site for residue MG F 1201
ChainResidue
FSER308
FGLU599
FPO41202
FFLC1203

site_idAF5
Number of Residues10
Detailsbinding site for residue PO4 F 1202
ChainResidue
FGLY281
FGLY282
FGLY283
FSER308
FSER663
FGLY664
FGLY665
FHIS760
FMG1201
FFLC1203

site_idAF6
Number of Residues10
Detailsbinding site for residue FLC F 1203
ChainResidue
FSER308
FGLY309
FALA345
FASN346
FPHE347
FTHR348
FARG379
FMG1201
FPO41202
FCOA1204

site_idAF7
Number of Residues19
Detailsbinding site for residue COA F 1204
ChainResidue
ELYS964
ELEU969
EILE970
EILE973
ELYS1017
ELYS1018
ELEU1021
FGLY261
FPHE533
FPHE572
FSER574
FARG576
FSER577
FILE597
FGLU599
FALA624
FTHR625
FVAL626
FFLC1203

site_idAF8
Number of Residues16
Detailsbinding site for residue ADP F 1205
ChainResidue
FVAL56
FLYS58
FARG65
FARG66
FGLY67
FPRO109
FVAL111
FHIS113
FGLU118
FVAL140
FASN203
FPRO204
FLEU215
FASP216
FMG1206
FHOH1301

site_idAF9
Number of Residues4
Detailsbinding site for residue MG F 1206
ChainResidue
FASN203
FASP216
FADP1205
FHOH1301

site_idAG1
Number of Residues4
Detailsbinding site for residue MG G 1201
ChainResidue
GSER308
GGLU599
GPO41202
GFLC1203

site_idAG2
Number of Residues10
Detailsbinding site for residue PO4 G 1202
ChainResidue
GGLY281
GGLY282
GGLY283
GSER308
GSER663
GGLY664
GGLY665
GHIS760
GMG1201
GFLC1203

site_idAG3
Number of Residues11
Detailsbinding site for residue FLC G 1203
ChainResidue
GSER308
GGLY309
GSER343
GALA345
GASN346
GPHE347
GTHR348
GARG379
GMG1201
GPO41202
GCOA1204

site_idAG4
Number of Residues19
Detailsbinding site for residue COA G 1204
ChainResidue
GGLY261
GPHE533
GPHE572
GSER574
GARG576
GSER577
GILE597
GGLU599
GALA624
GTHR625
GVAL626
GFLC1203
HLYS964
HLEU969
HILE970
HILE973
HLYS1017
HLYS1018
HLEU1021

site_idAG5
Number of Residues17
Detailsbinding site for residue ADP G 1205
ChainResidue
GVAL56
GLYS58
GARG65
GARG66
GGLY67
GPRO109
GPHE110
GVAL111
GHIS113
GGLU118
GVAL140
GASN203
GPRO204
GLEU215
GASP216
GMG1206
GHOH1302

site_idAG6
Number of Residues5
Detailsbinding site for residue MG G 1206
ChainResidue
GASN203
GASP216
GADP1205
GHOH1301
GHOH1302

site_idAG7
Number of Residues4
Detailsbinding site for residue MG H 1201
ChainResidue
HSER308
HGLU599
HPO41202
HFLC1203

site_idAG8
Number of Residues11
Detailsbinding site for residue PO4 H 1202
ChainResidue
HGLY281
HGLY282
HGLY283
HSER308
HSER663
HGLY664
HGLY665
HHIS760
HMG1201
HFLC1203
HCOA1204

site_idAG9
Number of Residues12
Detailsbinding site for residue FLC H 1203
ChainResidue
HALA280
HSER308
HGLY309
HSER343
HALA345
HASN346
HPHE347
HTHR348
HARG379
HMG1201
HPO41202
HCOA1204

site_idAH1
Number of Residues20
Detailsbinding site for residue COA H 1204
ChainResidue
GLYS964
GLEU969
GILE970
GILE973
GLYS1017
GLYS1018
GLEU1021
HGLY261
HPHE533
HPHE572
HSER574
HARG576
HSER577
HILE597
HGLU599
HALA624
HTHR625
HGLY664
HPO41202
HFLC1203

site_idAH2
Number of Residues19
Detailsbinding site for residue ADP H 1205
ChainResidue
HVAL56
HLYS58
HLYS64
HARG65
HARG66
HGLY67
HPRO109
HVAL111
HHIS113
HGLU118
HGLY139
HVAL140
HASN203
HPRO204
HLEU215
HASP216
HMG1206
HHOH1301
HHOH1302

site_idAH3
Number of Residues5
Detailsbinding site for residue MG H 1206
ChainResidue
HASN203
HASP216
HADP1205
HHOH1301
HHOH1302

Functional Information from PROSITE/UniProt
site_idPS00399
Number of Residues17
DetailsSUCCINYL_COA_LIG_2 ATP-citrate lyase / succinyl-CoA ligases family active site. GtcAtmfssevQFGHAG
ChainResidueDetails
AGLY746-GLY762

site_idPS01216
Number of Residues30
DetailsSUCCINYL_COA_LIG_1 ATP-citrate lyase / succinyl-CoA ligases family signature 1. SRSGGMSnElnniisrttdGvyegVAIGGD
ChainResidueDetails
ASER661-ASP690

site_idPS01217
Number of Residues25
DetailsSUCCINYL_COA_LIG_3 ATP-citrate lyase / succinyl-CoA ligases family signature 3. GrIwtMvAGGGASvvysDtIcdl.GG
ChainResidueDetails
AGLY273-GLY297

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues8
DetailsACT_SITE: Tele-phosphohistidine intermediate => ECO:0000305|PubMed:1371749
ChainResidueDetails
AHIS760
BHIS760
CHIS760
DHIS760
EHIS760
FHIS760
GHIS760
HHIS760

site_idSWS_FT_FI2
Number of Residues56
DetailsBINDING: BINDING => ECO:0000305|PubMed:22102020
ChainResidueDetails
ALYS58
BGLY67
BPRO109
BVAL111
BGLU118
BASP216
CLYS58
CARG66
CGLY67
CPRO109
CVAL111
AARG66
CGLU118
CASP216
DLYS58
DARG66
DGLY67
DPRO109
DVAL111
DGLU118
DASP216
ELYS58
AGLY67
EARG66
EGLY67
EPRO109
EVAL111
EGLU118
EASP216
FLYS58
FARG66
FGLY67
FPRO109
APRO109
FVAL111
FGLU118
FASP216
GLYS58
GARG66
GGLY67
GPRO109
GVAL111
GGLU118
GASP216
AVAL111
HLYS58
HARG66
HGLY67
HPRO109
HVAL111
HGLU118
HASP216
AGLU118
AASP216
BLYS58
BARG66

site_idSWS_FT_FI3
Number of Residues24
DetailsBINDING: BINDING => ECO:0000269|PubMed:20558738, ECO:0000269|PubMed:22102020
ChainResidueDetails
AASP257
DASP257
DSER260
DALA262
EASP257
ESER260
EALA262
FASP257
FSER260
FALA262
GASP257
ASER260
GSER260
GALA262
HASP257
HSER260
HALA262
AALA262
BASP257
BSER260
BALA262
CASP257
CSER260
CALA262

site_idSWS_FT_FI4
Number of Residues40
DetailsBINDING: BINDING => ECO:0000269|PubMed:20558738
ChainResidueDetails
AGLY309
BARG379
CGLY309
CASN346
CTHR348
CTYR364
CARG379
DGLY309
DASN346
DTHR348
DTYR364
AASN346
DARG379
EGLY309
EASN346
ETHR348
ETYR364
EARG379
FGLY309
FASN346
FTHR348
FTYR364
ATHR348
FARG379
GGLY309
GASN346
GTHR348
GTYR364
GARG379
HGLY309
HASN346
HTHR348
HTYR364
ATYR364
HARG379
AARG379
BGLY309
BASN346
BTHR348
BTYR364

site_idSWS_FT_FI5
Number of Residues8
DetailsBINDING: BINDING => ECO:0000255
ChainResidueDetails
ALEU779
BLEU779
CLEU779
DLEU779
ELEU779
FLEU779
GLEU779
HLEU779

site_idSWS_FT_FI6
Number of Residues8
DetailsMOD_RES: Phosphotyrosine => ECO:0007744|PubMed:15592455
ChainResidueDetails
ATYR131
BTYR131
CTYR131
DTYR131
ETYR131
FTYR131
GTYR131
HTYR131

site_idSWS_FT_FI7
Number of Residues8
DetailsMOD_RES: Phosphoserine => ECO:0000250|UniProtKB:Q91V92
ChainResidueDetails
ASER263
BSER263
CSER263
DSER263
ESER263
FSER263
GSER263
HSER263

site_idSWS_FT_FI8
Number of Residues8
DetailsMOD_RES: N6-acetyllysine; alternate => ECO:0000269|PubMed:23932781
ChainResidueDetails
ALYS540
BLYS540
CLYS540
DLYS540
ELYS540
FLYS540
GLYS540
HLYS540

site_idSWS_FT_FI9
Number of Residues16
DetailsMOD_RES: N6-acetyllysine; alternate => ECO:0000269|PubMed:23932781, ECO:0007744|PubMed:19608861
ChainResidueDetails
ALYS546
ELYS554
FLYS546
FLYS554
GLYS546
GLYS554
HLYS546
HLYS554
ALYS554
BLYS546
BLYS554
CLYS546
CLYS554
DLYS546
DLYS554
ELYS546

site_idSWS_FT_FI10
Number of Residues8
DetailsMOD_RES: Phosphothreonine => ECO:0007744|PubMed:19369195
ChainResidueDetails
ATHR639
BTHR639
CTHR639
DTHR639
ETHR639
FTHR639
GTHR639
HTHR639

site_idSWS_FT_FI11
Number of Residues16
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:19369195
ChainResidueDetails
ASER663
ESER839
FSER663
FSER839
GSER663
GSER839
HSER663
HSER839
ASER839
BSER663
BSER839
CSER663
CSER839
DSER663
DSER839
ESER663

site_idSWS_FT_FI12
Number of Residues8
DetailsMOD_RES: Phosphotyrosine => ECO:0007744|PubMed:15592455, ECO:0007744|PubMed:19369195
ChainResidueDetails
ATYR682
BTYR682
CTYR682
DTYR682
ETYR682
FTYR682
GTYR682
HTYR682

site_idSWS_FT_FI13
Number of Residues24
DetailsMOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861
ChainResidueDetails
ALYS948
DLYS948
DLYS968
DLYS1077
ELYS948
ELYS968
ELYS1077
FLYS948
FLYS968
FLYS1077
GLYS948
ALYS968
GLYS968
GLYS1077
HLYS948
HLYS968
HLYS1077
ALYS1077
BLYS948
BLYS968
BLYS1077
CLYS948
CLYS968
CLYS1077

site_idSWS_FT_FI14
Number of Residues8
DetailsMOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:Q91V92
ChainResidueDetails
ALYS978
BLYS978
CLYS978
DLYS978
ELYS978
FLYS978
GLYS978
HLYS978

site_idSWS_FT_FI15
Number of Residues8
DetailsMOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:19369195
ChainResidueDetails
ASER1100
BSER1100
CSER1100
DSER1100
ESER1100
FSER1100
GSER1100
HSER1100

site_idSWS_FT_FI16
Number of Residues32
DetailsCROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin); alternate => ECO:0000269|PubMed:27664236, ECO:0000305|PubMed:23932781
ChainResidueDetails
ALYS540
CLYS546
CLYS554
DLYS540
DLYS546
DLYS554
ELYS540
ELYS546
ELYS554
FLYS540
FLYS546
FLYS554
GLYS540
GLYS546
GLYS554
HLYS540
ALYS546
HLYS546
HLYS554
ALYS554
BLYS540
BLYS546
BLYS554
CLYS540

220113

PDB entries from 2024-05-22

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