6CWY
Crystal structure of SUMO E1 in complex with an allosteric inhibitor
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| C | 0004839 | molecular_function | ubiquitin activating enzyme activity |
| C | 0005515 | molecular_function | protein binding |
| C | 0005634 | cellular_component | nucleus |
| C | 0005654 | cellular_component | nucleoplasm |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0008047 | molecular_function | enzyme activator activity |
| C | 0008641 | molecular_function | ubiquitin-like modifier activating enzyme activity |
| C | 0016567 | biological_process | protein ubiquitination |
| C | 0016874 | molecular_function | ligase activity |
| C | 0016925 | biological_process | protein sumoylation |
| C | 0019948 | molecular_function | SUMO activating enzyme activity |
| C | 0031510 | cellular_component | SUMO activating enzyme complex |
| C | 0032446 | biological_process | protein modification by small protein conjugation |
| C | 0033235 | biological_process | positive regulation of protein sumoylation |
| C | 0036211 | biological_process | protein modification process |
| C | 0043008 | molecular_function | ATP-dependent protein binding |
| C | 0044388 | molecular_function | small protein activating enzyme binding |
| C | 0046982 | molecular_function | protein heterodimerization activity |
| C | 1903955 | biological_process | positive regulation of protein targeting to mitochondrion |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0000287 | molecular_function | magnesium ion binding |
| D | 0005515 | molecular_function | protein binding |
| D | 0005524 | molecular_function | ATP binding |
| D | 0005634 | cellular_component | nucleus |
| D | 0005654 | cellular_component | nucleoplasm |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0008641 | molecular_function | ubiquitin-like modifier activating enzyme activity |
| D | 0016740 | molecular_function | transferase activity |
| D | 0016925 | biological_process | protein sumoylation |
| D | 0019948 | molecular_function | SUMO activating enzyme activity |
| D | 0031510 | cellular_component | SUMO activating enzyme complex |
| D | 0032183 | molecular_function | SUMO binding |
| D | 0033235 | biological_process | positive regulation of protein sumoylation |
| D | 0044388 | molecular_function | small protein activating enzyme binding |
| D | 0044390 | molecular_function | ubiquitin-like protein conjugating enzyme binding |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0046982 | molecular_function | protein heterodimerization activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | binding site for residue GOL C 401 |
| Chain | Residue |
| C | HIS162 |
| C | PRO288 |
| C | PHE291 |
| C | TYR294 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue GOL C 402 |
| Chain | Residue |
| C | ILE115 |
| C | VAL42 |
| C | ASP67 |
| C | HIS68 |
| C | GLU69 |
| C | ASP114 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue ZN D 701 |
| Chain | Residue |
| D | CYS158 |
| D | CYS161 |
| D | CYS441 |
| D | CYS444 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue MG D 702 |
| Chain | Residue |
| D | ILE96 |
| D | ASN98 |
| D | TYR101 |
| D | HIS124 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 D 703 |
| Chain | Residue |
| D | ARG176 |
| D | GLU205 |
| D | PRO208 |
| D | ASP209 |
| D | ARG210 |
| D | ALA211 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 D 704 |
| Chain | Residue |
| D | ARG119 |
| D | PRO165 |
| D | THR166 |
| D | ARG168 |
| D | SER378 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 D 705 |
| Chain | Residue |
| D | GLN74 |
| D | LYS77 |
| D | ALA91 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 D 706 |
| Chain | Residue |
| D | PHE417 |
| D | ASN419 |
| D | VAL430 |
| site_id | AC9 |
| Number of Residues | 8 |
| Details | binding site for residue FHJ D 707 |
| Chain | Residue |
| C | GLN79 |
| D | CYS30 |
| D | GLU31 |
| D | LYS34 |
| D | ALA76 |
| D | SER79 |
| D | VAL80 |
| D | PHE83 |
Functional Information from PROSITE/UniProt
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: Glycyl thioester intermediate => ECO:0000255|PROSITE-ProRule:PRU10132, ECO:0000269|PubMed:15660128, ECO:0000269|PubMed:20164921 |
| Chain | Residue | Details |
| D | CYS173 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15660128 |
| Chain | Residue | Details |
| D | GLY24 | |
| D | ASP48 | |
| D | ASN56 | |
| D | LYS72 | |
| D | SER95 | |
| D | ASP117 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | BINDING: |
| Chain | Residue | Details |
| D | CYS158 | |
| D | CYS161 | |
| D | CYS441 | |
| D | CYS444 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:24275569 |
| Chain | Residue | Details |
| D | SER207 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | MOD_RES: N6-acetyllysine; alternate => ECO:0007744|PubMed:19608861 |
| Chain | Residue | Details |
| D | LYS271 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| D | SER507 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:18669648 |
| Chain | Residue | Details |
| D | SER592 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 1 |
| Details | MOD_RES: N6-acetyllysine; alternate => ECO:0000250|UniProtKB:Q9Z1F9 |
| Chain | Residue | Details |
| D | LYS613 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 1 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO1) => ECO:0007744|PubMed:25114211 |
| Chain | Residue | Details |
| D | LYS164 |
| site_id | SWS_FT_FI10 |
| Number of Residues | 6 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO) |
| Chain | Residue | Details |
| D | LYS190 | |
| D | LYS275 | |
| D | LYS611 | |
| D | LYS617 | |
| D | LYS623 |
| site_id | SWS_FT_FI11 |
| Number of Residues | 1 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate => ECO:0007744|PubMed:25772364, ECO:0007744|PubMed:28112733 |
| Chain | Residue | Details |
| D | LYS236 |
| site_id | SWS_FT_FI12 |
| Number of Residues | 2 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate => ECO:0007744|PubMed:28112733 |
| Chain | Residue | Details |
| D | LYS257 | |
| D | LYS420 |
| site_id | SWS_FT_FI13 |
| Number of Residues | 2 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO); alternate |
| Chain | Residue | Details |
| D | LYS271 | |
| D | LYS613 |
| site_id | SWS_FT_FI14 |
| Number of Residues | 2 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2) => ECO:0007744|PubMed:28112733 |
| Chain | Residue | Details |
| D | LYS371 | |
| D | LYS540 |
