Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6HXH

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

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0003878	molecular_function	ATP citrate synthase activity
A	0006085	biological_process	acetyl-CoA biosynthetic process
A	0006101	biological_process	citrate metabolic process
A	0046912	molecular_function	acyltransferase activity, acyl groups converted into alkyl on transfer
B	0003824	molecular_function	catalytic activity
B	0003878	molecular_function	ATP citrate synthase activity
B	0006085	biological_process	acetyl-CoA biosynthetic process
B	0006101	biological_process	citrate metabolic process
B	0046912	molecular_function	acyltransferase activity, acyl groups converted into alkyl on transfer
C	0003824	molecular_function	catalytic activity
C	0003878	molecular_function	ATP citrate synthase activity
C	0006085	biological_process	acetyl-CoA biosynthetic process
C	0006101	biological_process	citrate metabolic process
C	0046912	molecular_function	acyltransferase activity, acyl groups converted into alkyl on transfer
D	0003824	molecular_function	catalytic activity
D	0003878	molecular_function	ATP citrate synthase activity
D	0006085	biological_process	acetyl-CoA biosynthetic process
D	0006101	biological_process	citrate metabolic process
D	0046912	molecular_function	acyltransferase activity, acyl groups converted into alkyl on transfer
E	0003824	molecular_function	catalytic activity
E	0003878	molecular_function	ATP citrate synthase activity
E	0006085	biological_process	acetyl-CoA biosynthetic process
E	0006101	biological_process	citrate metabolic process
E	0046912	molecular_function	acyltransferase activity, acyl groups converted into alkyl on transfer
F	0003824	molecular_function	catalytic activity
F	0003878	molecular_function	ATP citrate synthase activity
F	0006085	biological_process	acetyl-CoA biosynthetic process
F	0006101	biological_process	citrate metabolic process
F	0046912	molecular_function	acyltransferase activity, acyl groups converted into alkyl on transfer
G	0003824	molecular_function	catalytic activity
G	0003878	molecular_function	ATP citrate synthase activity
G	0006085	biological_process	acetyl-CoA biosynthetic process
G	0006101	biological_process	citrate metabolic process
G	0046912	molecular_function	acyltransferase activity, acyl groups converted into alkyl on transfer
H	0003824	molecular_function	catalytic activity
H	0003878	molecular_function	ATP citrate synthase activity
H	0006085	biological_process	acetyl-CoA biosynthetic process
H	0006101	biological_process	citrate metabolic process
H	0046912	molecular_function	acyltransferase activity, acyl groups converted into alkyl on transfer

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	binding site for residue MG A 1201

Chain	Residue
A	SER308
A	GLU599
A	PO41202
A	FLC1203

site_id	AC2
Number of Residues	11
Details	binding site for residue PO4 A 1202

Chain	Residue
A	GLY664
A	GLY665
A	HIS760
A	MG1201
A	FLC1203
A	COA1204
A	GLY281
A	GLY282
A	GLY283
A	SER308
A	SER663

site_id	AC3
Number of Residues	11
Details	binding site for residue FLC A 1203

Chain	Residue
A	SER308
A	GLY309
A	SER343
A	ALA345
A	ASN346
A	PHE347
A	THR348
A	ARG379
A	MG1201
A	PO41202
A	COA1204

site_id	AC4
Number of Residues	20
Details	binding site for residue COA A 1204

Chain	Residue
A	GLY261
A	PHE533
A	PHE572
A	SER574
A	ARG576
A	SER577
A	ILE597
A	GLU599
A	ALA624
A	THR625
A	VAL626
A	PO41202
A	FLC1203
B	LYS964
B	LEU969
B	ILE970
B	ILE973
B	LYS1017
B	LYS1018
B	LEU1021

site_id	AC5
Number of Residues	17
Details	binding site for residue ADP A 1205

Chain	Residue
A	VAL56
A	LYS58
A	ARG65
A	ARG66
A	GLY67
A	PRO109
A	PHE110
A	VAL111
A	HIS113
A	GLU118
A	VAL140
A	ASN203
A	PRO204
A	LEU215
A	ASP216
A	MG1206
A	HOH1302

site_id	AC6
Number of Residues	4
Details	binding site for residue MG A 1206

Chain	Residue
A	ASN203
A	ASP216
A	ADP1205
A	HOH1302

site_id	AC7
Number of Residues	20
Details	binding site for residue COA A 1207

Chain	Residue
A	LYS964
A	LEU969
A	ILE970
A	ILE973
A	LYS1017
A	LYS1018
A	LEU1021
B	GLY261
B	PHE347
B	PHE533
B	PHE572
B	ALA573
B	SER574
B	ARG576
B	SER577
B	ILE597
B	ALA624
B	THR625
B	VAL626
B	FLC1203

site_id	AC8
Number of Residues	4
Details	binding site for residue MG B 1201

Chain	Residue
B	SER308
B	GLU599
B	PO41202
B	FLC1203

site_id	AC9
Number of Residues	10
Details	binding site for residue PO4 B 1202

Chain	Residue
B	MG1201
B	FLC1203
B	GLY281
B	GLY282
B	GLY283
B	SER308
B	SER663
B	GLY664
B	GLY665
B	HIS760

site_id	AD1
Number of Residues	11
Details	binding site for residue FLC B 1203

Chain	Residue
A	COA1207
B	SER308
B	GLY309
B	SER343
B	ALA345
B	ASN346
B	PHE347
B	THR348
B	ARG379
B	MG1201
B	PO41202

site_id	AD2
Number of Residues	18
Details	binding site for residue ADP B 1204

Chain	Residue
B	VAL56
B	LYS58
B	ARG65
B	ARG66
B	GLY67
B	PRO109
B	PHE110
B	VAL111
B	HIS113
B	GLU118
B	VAL140
B	ASN203
B	PRO204
B	LEU215
B	ASP216
B	MG1205
B	HOH1301
B	HOH1302

site_id	AD3
Number of Residues	5
Details	binding site for residue MG B 1205

Chain	Residue
B	ASN203
B	ASP216
B	ADP1204
B	HOH1301
B	HOH1302

site_id	AD4
Number of Residues	4
Details	binding site for residue MG C 1201

Chain	Residue
C	SER308
C	GLU599
C	PO41202
C	FLC1203

site_id	AD5
Number of Residues	11
Details	binding site for residue PO4 C 1202

Chain	Residue
C	GLY281
C	GLY282
C	GLY283
C	SER308
C	SER663
C	GLY664
C	GLY665
C	HIS760
C	MG1201
C	FLC1203
C	COA1204

site_id	AD6
Number of Residues	11
Details	binding site for residue FLC C 1203

Chain	Residue
C	SER308
C	GLY309
C	SER343
C	ALA345
C	ASN346
C	PHE347
C	THR348
C	ARG379
C	MG1201
C	PO41202
C	COA1204

site_id	AD7
Number of Residues	21
Details	binding site for residue COA C 1204

Chain	Residue
C	GLY261
C	PHE533
C	PHE572
C	SER574
C	ARG576
C	SER577
C	ILE597
C	GLU599
C	ALA624
C	THR625
C	VAL626
C	GLY664
C	PO41202
C	FLC1203
D	LYS964
D	LEU969
D	ILE970
D	ILE973
D	LYS1017
D	LYS1018
D	LEU1021

site_id	AD8
Number of Residues	19
Details	binding site for residue ADP C 1205

Chain	Residue
C	VAL56
C	LYS58
C	ARG65
C	ARG66
C	GLY67
C	VAL72
C	PHE110
C	VAL111
C	HIS113
C	GLU118
C	GLY139
C	VAL140
C	ASN203
C	PRO204
C	LEU215
C	ASP216
C	MG1206
C	HOH1301
C	HOH1302

site_id	AD9
Number of Residues	5
Details	binding site for residue MG C 1206

Chain	Residue
C	ASN203
C	ASP216
C	ADP1205
C	HOH1301
C	HOH1302

site_id	AE1
Number of Residues	4
Details	binding site for residue MG D 1201

Chain	Residue
D	SER308
D	GLU599
D	PO41202
D	FLC1203

site_id	AE2
Number of Residues	10
Details	binding site for residue PO4 D 1202

Chain	Residue
D	GLY281
D	GLY282
D	GLY283
D	SER308
D	SER663
D	GLY664
D	GLY665
D	HIS760
D	MG1201
D	FLC1203

site_id	AE3
Number of Residues	12
Details	binding site for residue FLC D 1203

Chain	Residue
D	ALA280
D	SER308
D	GLY309
D	SER343
D	ALA345
D	ASN346
D	PHE347
D	THR348
D	ARG379
D	MG1201
D	PO41202
D	COA1204

site_id	AE4
Number of Residues	20
Details	binding site for residue COA D 1204

Chain	Residue
C	LYS964
C	LEU969
C	ILE970
C	ILE973
C	LYS1017
C	LYS1018
C	LEU1021
D	GLY261
D	PHE533
D	PHE572
D	SER574
D	ARG576
D	SER577
D	ILE597
D	GLU599
D	ALA624
D	THR625
D	VAL626
D	GLY664
D	FLC1203

site_id	AE5
Number of Residues	18
Details	binding site for residue ADP D 1205

Chain	Residue
D	VAL56
D	LYS58
D	ARG65
D	ARG66
D	GLY67
D	PRO109
D	PHE110
D	VAL111
D	HIS113
D	GLU118
D	VAL140
D	ASN203
D	PRO204
D	LEU215
D	ASP216
D	MG1206
D	HOH1301
D	HOH1302

site_id	AE6
Number of Residues	4
Details	binding site for residue MG D 1206

Chain	Residue
D	ASN203
D	ASP216
D	ADP1205
D	HOH1301

site_id	AE7
Number of Residues	4
Details	binding site for residue MG E 1201

Chain	Residue
E	SER308
E	GLU599
E	PO41202
E	FLC1203

site_id	AE8
Number of Residues	9
Details	binding site for residue PO4 E 1202

Chain	Residue
E	GLY282
E	GLY283
E	SER308
E	SER663
E	GLY664
E	GLY665
E	HIS760
E	MG1201
E	FLC1203

site_id	AE9
Number of Residues	11
Details	binding site for residue FLC E 1203

Chain	Residue
E	SER308
E	GLY309
E	SER343
E	ALA345
E	ASN346
E	PHE347
E	THR348
E	ARG379
E	MG1201
E	PO41202
E	COA1204

site_id	AF1
Number of Residues	19
Details	binding site for residue COA E 1204

Chain	Residue
E	GLY261
E	PHE533
E	PHE572
E	SER574
E	ARG576
E	SER577
E	ILE597
E	GLU599
E	ALA624
E	THR625
E	VAL626
E	FLC1203
F	LYS964
F	LEU969
F	ILE970
F	ILE973
F	LYS1017
F	LYS1018
F	LEU1021

site_id	AF2
Number of Residues	16
Details	binding site for residue ADP E 1205

Chain	Residue
E	VAL56
E	LYS58
E	ARG65
E	ARG66
E	GLY67
E	PRO109
E	VAL111
E	HIS113
E	GLU118
E	VAL140
E	ASN203
E	PRO204
E	LEU215
E	ASP216
E	MG1206
E	HOH1301

site_id	AF3
Number of Residues	4
Details	binding site for residue MG E 1206

Chain	Residue
E	ASN203
E	ASP216
E	ADP1205
E	HOH1301

site_id	AF4
Number of Residues	4
Details	binding site for residue MG F 1201

Chain	Residue
F	SER308
F	GLU599
F	PO41202
F	FLC1203

site_id	AF5
Number of Residues	10
Details	binding site for residue PO4 F 1202

Chain	Residue
F	GLY281
F	GLY282
F	GLY283
F	SER308
F	SER663
F	GLY664
F	GLY665
F	HIS760
F	MG1201
F	FLC1203

site_id	AF6
Number of Residues	10
Details	binding site for residue FLC F 1203

Chain	Residue
F	SER308
F	GLY309
F	ALA345
F	ASN346
F	PHE347
F	THR348
F	ARG379
F	MG1201
F	PO41202
F	COA1204

site_id	AF7
Number of Residues	19
Details	binding site for residue COA F 1204

Chain	Residue
E	LYS964
E	LEU969
E	ILE970
E	ILE973
E	LYS1017
E	LYS1018
E	LEU1021
F	GLY261
F	PHE533
F	PHE572
F	SER574
F	ARG576
F	SER577
F	ILE597
F	GLU599
F	ALA624
F	THR625
F	VAL626
F	FLC1203

site_id	AF8
Number of Residues	16
Details	binding site for residue ADP F 1205

Chain	Residue
F	VAL56
F	LYS58
F	ARG65
F	ARG66
F	GLY67
F	PRO109
F	VAL111
F	HIS113
F	GLU118
F	VAL140
F	ASN203
F	PRO204
F	LEU215
F	ASP216
F	MG1206
F	HOH1301

site_id	AF9
Number of Residues	4
Details	binding site for residue MG F 1206

Chain	Residue
F	ASN203
F	ASP216
F	ADP1205
F	HOH1301

site_id	AG1
Number of Residues	4
Details	binding site for residue MG G 1201

Chain	Residue
G	SER308
G	GLU599
G	PO41202
G	FLC1203

site_id	AG2
Number of Residues	10
Details	binding site for residue PO4 G 1202

Chain	Residue
G	GLY281
G	GLY282
G	GLY283
G	SER308
G	SER663
G	GLY664
G	GLY665
G	HIS760
G	MG1201
G	FLC1203

site_id	AG3
Number of Residues	11
Details	binding site for residue FLC G 1203

Chain	Residue
G	SER308
G	GLY309
G	SER343
G	ALA345
G	ASN346
G	PHE347
G	THR348
G	ARG379
G	MG1201
G	PO41202
G	COA1204

site_id	AG4
Number of Residues	19
Details	binding site for residue COA G 1204

Chain	Residue
G	GLY261
G	PHE533
G	PHE572
G	SER574
G	ARG576
G	SER577
G	ILE597
G	GLU599
G	ALA624
G	THR625
G	VAL626
G	FLC1203
H	LYS964
H	LEU969
H	ILE970
H	ILE973
H	LYS1017
H	LYS1018
H	LEU1021

site_id	AG5
Number of Residues	17
Details	binding site for residue ADP G 1205

Chain	Residue
G	VAL56
G	LYS58
G	ARG65
G	ARG66
G	GLY67
G	PRO109
G	PHE110
G	VAL111
G	HIS113
G	GLU118
G	VAL140
G	ASN203
G	PRO204
G	LEU215
G	ASP216
G	MG1206
G	HOH1302

site_id	AG6
Number of Residues	5
Details	binding site for residue MG G 1206

Chain	Residue
G	ASN203
G	ASP216
G	ADP1205
G	HOH1301
G	HOH1302

site_id	AG7
Number of Residues	4
Details	binding site for residue MG H 1201

Chain	Residue
H	SER308
H	GLU599
H	PO41202
H	FLC1203

site_id	AG8
Number of Residues	11
Details	binding site for residue PO4 H 1202

Chain	Residue
H	GLY281
H	GLY282
H	GLY283
H	SER308
H	SER663
H	GLY664
H	GLY665
H	HIS760
H	MG1201
H	FLC1203
H	COA1204

site_id	AG9
Number of Residues	12
Details	binding site for residue FLC H 1203

Chain	Residue
H	ALA280
H	SER308
H	GLY309
H	SER343
H	ALA345
H	ASN346
H	PHE347
H	THR348
H	ARG379
H	MG1201
H	PO41202
H	COA1204

site_id	AH1
Number of Residues	20
Details	binding site for residue COA H 1204

Chain	Residue
G	LYS964
G	LEU969
G	ILE970
G	ILE973
G	LYS1017
G	LYS1018
G	LEU1021
H	GLY261
H	PHE533
H	PHE572
H	SER574
H	ARG576
H	SER577
H	ILE597
H	GLU599
H	ALA624
H	THR625
H	GLY664
H	PO41202
H	FLC1203

site_id	AH2
Number of Residues	19
Details	binding site for residue ADP H 1205

Chain	Residue
H	VAL56
H	LYS58
H	LYS64
H	ARG65
H	ARG66
H	GLY67
H	PRO109
H	VAL111
H	HIS113
H	GLU118
H	GLY139
H	VAL140
H	ASN203
H	PRO204
H	LEU215
H	ASP216
H	MG1206
H	HOH1301
H	HOH1302

site_id	AH3
Number of Residues	5
Details	binding site for residue MG H 1206

Chain	Residue
H	ASN203
H	ASP216
H	ADP1205
H	HOH1301
H	HOH1302

Functional Information from PROSITE/UniProt

site_id	PS00399
Number of Residues	17
Details	SUCCINYL_COA_LIG_2 ATP-citrate lyase / succinyl-CoA ligases family active site. GtcAtmfssevQFGHAG

Chain	Residue	Details
A	GLY746-GLY762

site_id	PS01216
Number of Residues	30
Details	SUCCINYL_COA_LIG_1 ATP-citrate lyase / succinyl-CoA ligases family signature 1. SRSGGMSnElnniisrttdGvyegVAIGGD

Chain	Residue	Details
A	SER661-ASP690

site_id	PS01217
Number of Residues	25
Details	SUCCINYL_COA_LIG_3 ATP-citrate lyase / succinyl-CoA ligases family signature 3. GrIwtMvAGGGASvvysDtIcdl.GG

Chain	Residue	Details
A	GLY273-GLY297

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2088
Details	Domain: {"description":"ATP-grasp"}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	8
Details	Active site: {"description":"Tele-phosphohistidine intermediate","evidences":[{"source":"PubMed","id":"1371749","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	56
Details	Binding site: {"evidences":[{"source":"PubMed","id":"22102020","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	24
Details	Binding site: {"evidences":[{"source":"PubMed","id":"20558738","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22102020","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	40
Details	Binding site: {"evidences":[{"source":"PubMed","id":"20558738","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	80
Details	Binding site: {"evidences":[{"evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	8
Details	Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"15592455","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI8
Number of Residues	8
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"Q91V92","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI9
Number of Residues	8
Details	Modified residue: {"description":"N6-acetyllysine; alternate","evidences":[{"source":"PubMed","id":"23932781","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI10
Number of Residues	16
Details	Modified residue: {"description":"N6-acetyllysine; alternate","evidences":[{"source":"PubMed","id":"23932781","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI11
Number of Residues	8
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI12
Number of Residues	16
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI13
Number of Residues	8
Details	Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"15592455","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI14
Number of Residues	24
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI15
Number of Residues	8
Details	Modified residue: {"description":"N6-benzoyllysine; alternate","evidences":[{"source":"PubMed","id":"39524354","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI16
Number of Residues	32
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin); alternate","evidences":[{"source":"PubMed","id":"27664236","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23932781","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)