7LIW
Local refinement of human ATP citrate lyase E599Q mutant ASH domain
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| 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 | 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 | 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 | 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 | 14 |
| Details | binding site for residue ADP B 2001 |
| Chain | Residue |
| B | VAL56 |
| B | GLU118 |
| B | GLY139 |
| B | ASN203 |
| B | LEU215 |
| B | ASP216 |
| B | ARG65 |
| B | ARG66 |
| B | GLY67 |
| B | GLU108 |
| B | PRO109 |
| B | PHE110 |
| B | VAL111 |
| B | HIS113 |
| site_id | AC2 |
| Number of Residues | 20 |
| Details | binding site for residue COA B 2002 |
| Chain | Residue |
| B | GLY261 |
| B | GLY309 |
| B | PHE347 |
| B | PHE572 |
| B | ALA573 |
| B | SER574 |
| B | ARG576 |
| B | SER577 |
| B | ILE597 |
| B | GLN599 |
| B | ALA624 |
| B | THR625 |
| B | Y2A2003 |
| 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 Y2A B 2003 |
| Chain | Residue |
| B | ALA280 |
| B | GLY281 |
| B | GLY282 |
| B | GLY283 |
| B | SER308 |
| B | SER343 |
| B | ALA345 |
| B | ASN346 |
| B | PHE347 |
| B | THR348 |
| B | ARG379 |
| B | SER663 |
| B | GLY664 |
| B | GLY665 |
| B | HIS760 |
| B | COA2002 |
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 |
| C | GLY67 | |
| C | PRO109 | |
| C | VAL111 | |
| 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 | GLY67 | |
| B | PRO109 | |
| B | VAL111 | |
| B | GLU118 | |
| B | ASP216 | |
| C | LYS58 | |
| C | ARG66 | |
| B | ARG66 | |
| A | ARG66 | |
| A | LYS58 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:20558738, ECO:0000269|PubMed:22102020 |
| Chain | Residue | Details |
| A | SER260 | |
| A | ALA262 | |
| B | ASP257 | |
| B | SER260 | |
| B | ALA262 | |
| C | ASP257 | |
| C | SER260 | |
| C | ALA262 | |
| D | ASP257 | |
| D | SER260 | |
| D | ALA262 | |
| A | ASP257 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 20 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:20558738 |
| Chain | Residue | Details |
| C | THR348 | |
| C | TYR364 | |
| C | ARG379 | |
| D | GLY309 | |
| D | ASN346 | |
| D | THR348 | |
| D | TYR364 | |
| D | ARG379 | |
| A | THR348 | |
| A | TYR364 | |
| A | ARG379 | |
| B | GLY309 | |
| B | ASN346 | |
| B | THR348 | |
| B | TYR364 | |
| B | ARG379 | |
| C | GLY309 | |
| C | ASN346 | |
| A | GLY309 | |
| A | ASN346 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000255 |
| Chain | Residue | Details |
| B | LEU779 | |
| C | LEU779 | |
| D | LEU779 | |
| A | LEU779 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | MOD_RES: Phosphotyrosine => ECO:0007744|PubMed:15592455 |
| Chain | Residue | Details |
| B | TYR131 | |
| C | TYR131 | |
| D | TYR131 | |
| A | TYR131 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 4 |
| Details | MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:Q91V92 |
| Chain | Residue | Details |
| C | SER263 | |
| D | SER263 | |
| A | SER263 | |
| B | SER263 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 4 |
| Details | MOD_RES: Phosphothreonine => ECO:0000250|UniProtKB:P16638 |
| Chain | Residue | Details |
| B | THR447 | |
| C | THR447 | |
| D | THR447 | |
| A | 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 |
| C | LYS546 | |
| C | LYS554 | |
| D | LYS546 | |
| D | LYS554 | |
| A | LYS546 | |
| A | LYS554 | |
| B | LYS546 | |
| B | 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 |
| C | LYS1077 | |
| D | LYS948 | |
| D | LYS968 | |
| D | LYS1077 | |
| A | LYS948 | |
| A | LYS968 | |
| A | LYS1077 | |
| B | LYS948 | |
| B | LYS968 | |
| B | LYS1077 | |
| C | LYS948 | |
| C | LYS968 |
| 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 |
| B | LYS540 | |
| B | LYS546 | |
| B | LYS554 | |
| C | LYS540 | |
| C | LYS546 | |
| C | LYS554 | |
| D | LYS540 | |
| D | LYS546 | |
| D | LYS554 | |
| A | LYS540 | |
| A | LYS546 | |
| A | LYS554 |
