6QFB
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 | 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 | 0036064 | cellular_component | ciliary basal body |
| 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 | 0110076 | biological_process | negative regulation of ferroptosis |
| 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 | 0036064 | cellular_component | ciliary basal body |
| 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 | 0110076 | biological_process | negative regulation of ferroptosis |
| 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 | 0036064 | cellular_component | ciliary basal body |
| 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 | 0110076 | biological_process | negative regulation of ferroptosis |
| 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 | 0036064 | cellular_component | ciliary basal body |
| 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 | 0110076 | biological_process | negative regulation of ferroptosis |
| D | 1904813 | cellular_component | ficolin-1-rich granule lumen |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | binding site for residue 2HP A 1201 |
| Chain | Residue |
| A | GLY282 |
| A | GLY283 |
| A | SER663 |
| A | GLY664 |
| A | GLY665 |
| site_id | AC2 |
| Number of Residues | 20 |
| Details | binding site for residue COA A 1202 |
| Chain | Residue |
| A | LYS1017 |
| A | LYS1018 |
| A | LEU1021 |
| B | GLY261 |
| B | PHE347 |
| B | PHE572 |
| B | SER574 |
| B | ARG576 |
| B | SER577 |
| B | ILE597 |
| B | GLU599 |
| B | ALA624 |
| B | THR625 |
| B | VAL626 |
| B | 2HP1201 |
| B | FLC1202 |
| A | LYS964 |
| A | LEU969 |
| A | ILE970 |
| A | ILE973 |
| site_id | AC3 |
| Number of Residues | 14 |
| Details | binding site for residue ADP A 1203 |
| Chain | Residue |
| A | VAL56 |
| A | LYS58 |
| A | ARG65 |
| A | ARG66 |
| A | GLY67 |
| A | PRO109 |
| A | VAL111 |
| A | HIS113 |
| A | GLU118 |
| A | ASN203 |
| A | PRO204 |
| A | LEU215 |
| A | ASP216 |
| A | MG1204 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | binding site for residue MG A 1204 |
| Chain | Residue |
| A | ASN203 |
| A | ASP216 |
| A | ADP1203 |
| site_id | AC5 |
| Number of Residues | 9 |
| Details | binding site for residue 2HP B 1201 |
| Chain | Residue |
| A | COA1202 |
| B | GLY282 |
| B | GLY283 |
| B | SER308 |
| B | SER663 |
| B | GLY664 |
| B | GLY665 |
| B | FLC1202 |
| B | MG1206 |
| site_id | AC6 |
| Number of Residues | 10 |
| Details | binding site for residue FLC B 1202 |
| Chain | Residue |
| A | COA1202 |
| B | SER308 |
| B | GLY309 |
| B | SER343 |
| B | ASN346 |
| B | PHE347 |
| B | THR348 |
| B | ARG379 |
| B | 2HP1201 |
| B | MG1206 |
| site_id | AC7 |
| Number of Residues | 14 |
| Details | binding site for residue COA B 1203 |
| Chain | Residue |
| A | PHE533 |
| A | PHE572 |
| A | ALA573 |
| A | SER574 |
| A | ARG576 |
| A | SER577 |
| A | GLU599 |
| B | LYS964 |
| B | LEU969 |
| B | ILE970 |
| B | ILE973 |
| B | LYS1017 |
| B | LYS1018 |
| B | LEU1021 |
| site_id | AC8 |
| Number of Residues | 14 |
| Details | binding site for residue ADP B 1204 |
| Chain | Residue |
| B | VAL56 |
| B | LYS58 |
| B | ARG65 |
| B | ARG66 |
| B | GLY67 |
| B | PRO109 |
| B | VAL111 |
| B | HIS113 |
| B | GLU118 |
| B | ASN203 |
| B | PRO204 |
| B | LEU215 |
| B | ASP216 |
| B | MG1205 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | binding site for residue MG B 1205 |
| Chain | Residue |
| B | ASN203 |
| B | ASP216 |
| B | ADP1204 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue MG B 1206 |
| Chain | Residue |
| B | SER308 |
| B | GLU599 |
| B | 2HP1201 |
| B | FLC1202 |
| site_id | AD2 |
| Number of Residues | 14 |
| Details | binding site for residue COA C 1201 |
| Chain | Residue |
| C | ARG576 |
| C | SER577 |
| C | ILE597 |
| C | GLU599 |
| C | LYS964 |
| C | LEU969 |
| C | ILE970 |
| C | ILE973 |
| C | LYS1017 |
| C | LYS1018 |
| C | LEU1021 |
| C | PHE533 |
| C | PHE572 |
| C | SER574 |
| site_id | AD3 |
| Number of Residues | 14 |
| Details | binding site for residue ADP C 1202 |
| Chain | Residue |
| C | VAL56 |
| C | LYS58 |
| C | ARG65 |
| C | ARG66 |
| C | GLY67 |
| C | PRO109 |
| C | VAL111 |
| C | HIS113 |
| C | GLU118 |
| C | ASN203 |
| C | PRO204 |
| C | LEU215 |
| C | ASP216 |
| C | MG1203 |
| site_id | AD4 |
| Number of Residues | 3 |
| Details | binding site for residue MG C 1203 |
| Chain | Residue |
| C | ASN203 |
| C | ASP216 |
| C | ADP1202 |
| site_id | AD5 |
| Number of Residues | 5 |
| Details | binding site for residue 2HP D 1201 |
| Chain | Residue |
| D | GLY282 |
| D | GLY283 |
| D | SER663 |
| D | GLY664 |
| D | GLY665 |
| site_id | AD6 |
| Number of Residues | 13 |
| Details | binding site for residue COA D 1202 |
| Chain | Residue |
| D | PHE533 |
| D | PHE572 |
| D | SER574 |
| D | ARG576 |
| D | SER577 |
| D | GLU599 |
| D | LYS964 |
| D | LEU969 |
| D | ILE970 |
| D | ILE973 |
| D | LYS1017 |
| D | LYS1018 |
| D | LEU1021 |
| site_id | AD7 |
| Number of Residues | 16 |
| Details | binding site for residue ADP D 1203 |
| Chain | Residue |
| D | VAL56 |
| D | LYS58 |
| D | ARG65 |
| D | ARG66 |
| D | GLY67 |
| D | GLU108 |
| D | PRO109 |
| D | PHE110 |
| D | VAL111 |
| D | HIS113 |
| D | GLU118 |
| D | ASN203 |
| D | PRO204 |
| D | LEU215 |
| D | ASP216 |
| D | MG1204 |
| site_id | AD8 |
| Number of Residues | 4 |
| Details | binding site for residue MG D 1204 |
| Chain | Residue |
| D | GLY139 |
| D | ASN203 |
| D | ASP216 |
| D | ADP1203 |
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 | 783 |
| Details | Domain: {"description":"ATP-grasp"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 28 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"22102020","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 12 |
| 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_FI4 |
| Number of Residues | 20 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"20558738","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 40 |
| Details | Binding site: {"evidences":[{"evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"15592455","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"Q91V92","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"N6-acetyllysine; alternate","evidences":[{"source":"PubMed","id":"23932781","evidenceCode":"ECO:0000269"}]} |
| 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"},{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI10 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI11 |
| Number of Residues | 8 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI12 |
| Number of Residues | 4 |
| 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_FI13 |
| Number of Residues | 12 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI14 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"Q91V92","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI15 |
| Number of Residues | 16 |
| 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 |
| site_id | SWS_FT_FI16 |
| Number of Residues | 1 |
| Details | Active site: {"description":"Tele-phosphohistidine intermediate","evidences":[{"source":"PubMed","id":"1371749","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI17 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"18669648","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"19369195","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
