6UUZ

Structure of ACLY in the presence of citrate and CoA

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0003824	molecular_function	catalytic activity
A	0003878	molecular_function	ATP citrate synthase activity
A	0005515	molecular_function	protein binding
A	0005524	molecular_function	ATP binding
A	0005576	cellular_component	extracellular region
A	0005654	cellular_component	nucleoplasm
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006085	biological_process	acetyl-CoA biosynthetic process
A	0006101	biological_process	citrate metabolic process
A	0006107	biological_process	oxaloacetate metabolic process
A	0006629	biological_process	lipid metabolic process
A	0006633	biological_process	fatty acid biosynthetic process
A	0006695	biological_process	cholesterol biosynthetic process
A	0008610	biological_process	lipid biosynthetic process
A	0015936	biological_process	coenzyme A metabolic process
A	0016020	cellular_component	membrane
A	0016740	molecular_function	transferase activity
A	0035578	cellular_component	azurophil granule lumen
A	0046872	molecular_function	metal ion binding
A	0046912	molecular_function	acyltransferase activity, acyl groups converted into alkyl on transfer
A	0070062	cellular_component	extracellular exosome
A	1904813	cellular_component	ficolin-1-rich granule lumen
B	0000166	molecular_function	nucleotide binding
B	0003824	molecular_function	catalytic activity
B	0003878	molecular_function	ATP citrate synthase activity
B	0005515	molecular_function	protein binding
B	0005524	molecular_function	ATP binding
B	0005576	cellular_component	extracellular region
B	0005654	cellular_component	nucleoplasm
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006085	biological_process	acetyl-CoA biosynthetic process
B	0006101	biological_process	citrate metabolic process
B	0006107	biological_process	oxaloacetate metabolic process
B	0006629	biological_process	lipid metabolic process
B	0006633	biological_process	fatty acid biosynthetic process
B	0006695	biological_process	cholesterol biosynthetic process
B	0008610	biological_process	lipid biosynthetic process
B	0015936	biological_process	coenzyme A metabolic process
B	0016020	cellular_component	membrane
B	0016740	molecular_function	transferase activity
B	0035578	cellular_component	azurophil granule lumen
B	0046872	molecular_function	metal ion binding
B	0046912	molecular_function	acyltransferase activity, acyl groups converted into alkyl on transfer
B	0070062	cellular_component	extracellular exosome
B	1904813	cellular_component	ficolin-1-rich granule lumen
C	0000166	molecular_function	nucleotide binding
C	0003824	molecular_function	catalytic activity
C	0003878	molecular_function	ATP citrate synthase activity
C	0005515	molecular_function	protein binding
C	0005524	molecular_function	ATP binding
C	0005576	cellular_component	extracellular region
C	0005654	cellular_component	nucleoplasm
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0006085	biological_process	acetyl-CoA biosynthetic process
C	0006101	biological_process	citrate metabolic process
C	0006107	biological_process	oxaloacetate metabolic process
C	0006629	biological_process	lipid metabolic process
C	0006633	biological_process	fatty acid biosynthetic process
C	0006695	biological_process	cholesterol biosynthetic process
C	0008610	biological_process	lipid biosynthetic process
C	0015936	biological_process	coenzyme A metabolic process
C	0016020	cellular_component	membrane
C	0016740	molecular_function	transferase activity
C	0035578	cellular_component	azurophil granule lumen
C	0046872	molecular_function	metal ion binding
C	0046912	molecular_function	acyltransferase activity, acyl groups converted into alkyl on transfer
C	0070062	cellular_component	extracellular exosome
C	1904813	cellular_component	ficolin-1-rich granule lumen
D	0000166	molecular_function	nucleotide binding
D	0003824	molecular_function	catalytic activity
D	0003878	molecular_function	ATP citrate synthase activity
D	0005515	molecular_function	protein binding
D	0005524	molecular_function	ATP binding
D	0005576	cellular_component	extracellular region
D	0005654	cellular_component	nucleoplasm
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0006085	biological_process	acetyl-CoA biosynthetic process
D	0006101	biological_process	citrate metabolic process
D	0006107	biological_process	oxaloacetate metabolic process
D	0006629	biological_process	lipid metabolic process
D	0006633	biological_process	fatty acid biosynthetic process
D	0006695	biological_process	cholesterol biosynthetic process
D	0008610	biological_process	lipid biosynthetic process
D	0015936	biological_process	coenzyme A metabolic process
D	0016020	cellular_component	membrane
D	0016740	molecular_function	transferase activity
D	0035578	cellular_component	azurophil granule lumen
D	0046872	molecular_function	metal ion binding
D	0046912	molecular_function	acyltransferase activity, acyl groups converted into alkyl on transfer
D	0070062	cellular_component	extracellular exosome
D	1904813	cellular_component	ficolin-1-rich granule lumen

Functional Information from PDB Data

site_id	AC1
Number of Residues	16
Details	binding site for residue COA A 1201

Chain	Residue
A	ALA573
C	LYS964
C	LEU969
C	ILE970
C	ILE973
C	LYS1017
C	LYS1018
C	LEU1021
A	SER574
A	ARG576
A	SER577
A	ILE597
A	ALA598
A	GLU599
A	ALA624
A	GLY664

---

site_id	AC2
Number of Residues	15
Details	binding site for residue COA B 1201

Chain	Residue
B	PHE572
B	SER574
B	ARG576
B	SER577
B	ILE597
B	GLU599
B	THR625
B	VAL626
D	LYS964
D	LEU969
D	ILE970
D	ILE973
D	LYS1017
D	LYS1018
D	LEU1021

---

site_id	AC3
Number of Residues	16
Details	binding site for residue COA C 1201

Chain	Residue
A	LYS964
A	LEU969
A	ILE970
A	ILE973
A	LYS1017
A	LYS1018
A	LEU1021
C	PHE572
C	ALA573
C	SER574
C	ARG576
C	SER577
C	ILE597
C	GLU599
C	ALA624
C	THR625

---

site_id	AC4
Number of Residues	15
Details	binding site for residue COA D 1201

Chain	Residue
B	LYS964
B	LEU969
B	ILE970
B	ILE973
B	LYS1017
B	LYS1018
B	LEU1021
D	SER574
D	ARG576
D	SER577
D	ILE597
D	ALA598
D	GLU599
D	THR625
D	GLY664

---

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	4
Details	ACT_SITE: Tele-phosphohistidine intermediate => ECO:0000305|PubMed:1371749

Chain	Residue	Details
A	HIS760
B	HIS760
C	HIS760
D	HIS760

---

site_id	SWS_FT_FI2
Number of Residues	28
Details	BINDING: BINDING => ECO:0000305|PubMed:22102020

Chain	Residue	Details
A	LYS58
B	GLY67
B	PRO109
B	VAL111
B	GLU118
B	ASP216
C	LYS58
C	ARG66
C	GLY67
C	PRO109
C	VAL111
A	ARG66
C	GLU118
C	ASP216
D	LYS58
D	ARG66
D	GLY67
D	PRO109
D	VAL111
D	GLU118
D	ASP216
A	GLY67
A	PRO109
A	VAL111
A	GLU118
A	ASP216
B	LYS58
B	ARG66

---

site_id	SWS_FT_FI3
Number of Residues	12
Details	BINDING: BINDING => ECO:0000269|PubMed:20558738, ECO:0000269|PubMed:22102020

Chain	Residue	Details
A	ASP257
D	ASP257
D	SER260
D	ALA262
A	SER260
A	ALA262
B	ASP257
B	SER260
B	ALA262
C	ASP257
C	SER260
C	ALA262

---

site_id	SWS_FT_FI4
Number of Residues	20
Details	BINDING: BINDING => ECO:0000269|PubMed:20558738

Chain	Residue	Details
A	GLY309
B	ARG379
C	GLY309
C	ASN346
C	THR348
C	TYR364
C	ARG379
D	GLY309
D	ASN346
D	THR348
D	TYR364
A	ASN346
D	ARG379
A	THR348
A	TYR364
A	ARG379
B	GLY309
B	ASN346
B	THR348
B	TYR364

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	BINDING: BINDING => ECO:0000255

Chain	Residue	Details
A	LEU779
B	LEU779
C	LEU779
D	LEU779

---

site_id	SWS_FT_FI6
Number of Residues	4
Details	MOD_RES: Phosphotyrosine => ECO:0007744|PubMed:15592455

Chain	Residue	Details
A	TYR131
B	TYR131
C	TYR131
D	TYR131

---

site_id	SWS_FT_FI7
Number of Residues	4
Details	MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:Q91V92

Chain	Residue	Details
A	SER263
B	SER263
C	SER263
D	SER263

---

site_id	SWS_FT_FI8
Number of Residues	4
Details	MOD_RES: Phosphothreonine => ECO:0000250|UniProtKB:P16638

Chain	Residue	Details
A	THR447
B	THR447
C	THR447
D	THR447

---

site_id	SWS_FT_FI9
Number of Residues	4
Details	MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P16638

Chain	Residue	Details
A	SER451
B	SER451
C	SER451
D	SER451

---

site_id	SWS_FT_FI10
Number of Residues	4
Details	MOD_RES: Phosphoserine; by PKA and PKB/AKT1 or PKB/AKT2 or BCKDK => ECO:0000269|PubMed:29779826, ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163, ECO:0007744|PubMed:24275569

Chain	Residue	Details
A	SER455
B	SER455
C	SER455
D	SER455

---

site_id	SWS_FT_FI11
Number of Residues	4
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163

Chain	Residue	Details
A	SER459
B	SER459
C	SER459
D	SER459

---

site_id	SWS_FT_FI12
Number of Residues	4
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:17081983, ECO:0007744|PubMed:17924679, ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:18691976, ECO:0007744|PubMed:19369195, ECO:0007744|PubMed:19690332, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163, ECO:0007744|PubMed:24275569

Chain	Residue	Details
A	SER481
B	SER481
C	SER481
D	SER481

---

site_id	SWS_FT_FI13
Number of Residues	4
Details	MOD_RES: N6-acetyllysine; alternate => ECO:0000269|PubMed:23932781

Chain	Residue	Details
A	LYS540
B	LYS540
C	LYS540
D	LYS540

---

site_id	SWS_FT_FI14
Number of Residues	8
Details	MOD_RES: N6-acetyllysine; alternate => ECO:0000269|PubMed:23932781, ECO:0007744|PubMed:19608861

Chain	Residue	Details
A	LYS546
A	LYS554
B	LYS546
B	LYS554
C	LYS546
C	LYS554
D	LYS546
D	LYS554

---

site_id	SWS_FT_FI15
Number of Residues	4
Details	MOD_RES: Phosphothreonine => ECO:0007744|PubMed:19369195

Chain	Residue	Details
A	THR639
B	THR639
C	THR639
D	THR639

---

site_id	SWS_FT_FI16
Number of Residues	8
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:19369195

Chain	Residue	Details
A	SER663
A	SER839
B	SER663
B	SER839
C	SER663
C	SER839
D	SER663
D	SER839

---

site_id	SWS_FT_FI17
Number of Residues	4
Details	MOD_RES: Phosphotyrosine => ECO:0007744|PubMed:15592455, ECO:0007744|PubMed:19369195

Chain	Residue	Details
A	TYR682
B	TYR682
C	TYR682
D	TYR682

---

site_id	SWS_FT_FI18
Number of Residues	12
Details	MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861

Chain	Residue	Details
A	LYS948
D	LYS948
D	LYS968
D	LYS1077
A	LYS968
A	LYS1077
B	LYS948
B	LYS968
B	LYS1077
C	LYS948
C	LYS968
C	LYS1077

---

site_id	SWS_FT_FI19
Number of Residues	4
Details	MOD_RES: N6-acetyllysine => ECO:0000250|UniProtKB:Q91V92

Chain	Residue	Details
A	LYS978
B	LYS978
C	LYS978
D	LYS978

---

site_id	SWS_FT_FI20
Number of Residues	4
Details	MOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:19369195

Chain	Residue	Details
A	SER1100
B	SER1100
C	SER1100
D	SER1100

---

site_id	SWS_FT_FI21
Number of Residues	16
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin); alternate => ECO:0000269|PubMed:27664236, ECO:0000305|PubMed:23932781

Chain	Residue	Details
A	LYS540
C	LYS546
C	LYS554
D	LYS540
D	LYS546
D	LYS554
A	LYS546
A	LYS554
B	LYS540
B	LYS546
B	LYS554
C	LYS540

---