2BY4
SR Ca(2+)-ATPase in the HnE2 state complexed with the thapsigargin derivative Boc-12ADT.
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0005215 | molecular_function | transporter activity |
| A | 0005388 | molecular_function | P-type calcium transporter activity |
| A | 0005509 | molecular_function | calcium ion binding |
| A | 0005524 | molecular_function | ATP binding |
| A | 0006816 | biological_process | calcium ion transport |
| A | 0006874 | biological_process | intracellular calcium ion homeostasis |
| A | 0016020 | cellular_component | membrane |
| A | 0016529 | cellular_component | sarcoplasmic reticulum |
| A | 0016887 | molecular_function | ATP hydrolysis activity |
| A | 0031448 | biological_process | positive regulation of fast-twitch skeletal muscle fiber contraction |
| A | 0033017 | cellular_component | sarcoplasmic reticulum membrane |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0070588 | biological_process | calcium ion transmembrane transport |
| A | 0106134 | biological_process | positive regulation of cardiac muscle cell contraction |
| A | 1901896 | biological_process | positive regulation of ATPase-coupled calcium transmembrane transporter activity |
| A | 1902082 | biological_process | positive regulation of calcium ion import into sarcoplasmic reticulum |
| A | 1990036 | biological_process | calcium ion import into sarcoplasmic reticulum |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG A1997 |
| Chain | Residue |
| A | GLU439 |
| A | THR441 |
| A | ACP1996 |
| site_id | AC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE MG A1998 |
| Chain | Residue |
| A | ASP703 |
| A | ASP707 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NA A1999 |
| Chain | Residue |
| A | GLN244 |
| A | LYS712 |
| A | ALA714 |
| A | GLU732 |
| site_id | AC4 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE AD4 A1995 |
| Chain | Residue |
| A | LEU61 |
| A | VAL62 |
| A | ASN101 |
| A | LEU253 |
| A | GLU255 |
| A | PHE256 |
| A | GLN259 |
| A | LEU260 |
| A | VAL263 |
| A | ALA306 |
| A | ILE307 |
| A | PRO308 |
| A | LEU311 |
| A | PRO312 |
| A | ILE765 |
| A | VAL772 |
| A | LEU828 |
| A | ILE829 |
| A | PHE834 |
| A | TYR837 |
| site_id | AC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE ACP A1996 |
| Chain | Residue |
| A | THR353 |
| A | THR441 |
| A | GLU442 |
| A | PHE487 |
| A | LYS515 |
| A | ALA517 |
| A | ARG560 |
| A | GLY626 |
| A | MG1997 |
Functional Information from PROSITE/UniProt
| site_id | PS00154 |
| Number of Residues | 7 |
| Details | ATPASE_E1_E2 E1-E2 ATPases phosphorylation site. DKTGTLT |
| Chain | Residue | Details |
| A | ASP351-THR357 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 663 |
| Details | TOPO_DOM: Cytoplasmic => ECO:0000269|PubMed:10864315 |
| Chain | Residue | Details |
| A | MET1-SER48 | |
| A | ASN111-LEU253 | |
| A | VAL314-MET757 | |
| A | PHE809-LEU828 | |
| A | GLU918-ASN930 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 20 |
| Details | TRANSMEM: Helical; Name=1 => ECO:0000269|PubMed:10864315 |
| Chain | Residue | Details |
| A | LEU49-ALA69 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 108 |
| Details | TOPO_DOM: Lumenal => ECO:0000269|PubMed:10864315 |
| Chain | Residue | Details |
| A | CYS70-VAL89 | |
| A | ILE274-TYR295 | |
| A | THR778-LEU787 | |
| A | ALA852-MET897 | |
| A | VAL950-LEU964 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 20 |
| Details | TRANSMEM: Helical; Name=2 => ECO:0000269|PubMed:10864315 |
| Chain | Residue | Details |
| A | GLU90-ARG110 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 19 |
| Details | TRANSMEM: Helical; Name=3 => ECO:0000269|PubMed:10864315 |
| Chain | Residue | Details |
| A | ASP254-LEU273 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 17 |
| Details | TRANSMEM: Helical; Name=4 => ECO:0000269|PubMed:10864315 |
| Chain | Residue | Details |
| A | PHE296-ALA313 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 19 |
| Details | TRANSMEM: Helical; Name=5 => ECO:0000269|PubMed:10864315 |
| Chain | Residue | Details |
| A | LYS758-LEU777 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 20 |
| Details | TRANSMEM: Helical; Name=6 => ECO:0000269|PubMed:10864315 |
| Chain | Residue | Details |
| A | ILE788-GLY808 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 22 |
| Details | TRANSMEM: Helical; Name=7 => ECO:0000269|PubMed:10864315 |
| Chain | Residue | Details |
| A | ILE829-ALA851 |
| site_id | SWS_FT_FI10 |
| Number of Residues | 19 |
| Details | TRANSMEM: Helical; Name=8 => ECO:0000269|PubMed:10864315 |
| Chain | Residue | Details |
| A | THR898-SER917 |
| site_id | SWS_FT_FI11 |
| Number of Residues | 18 |
| Details | TRANSMEM: Helical; Name=9 => ECO:0000269|PubMed:10864315 |
| Chain | Residue | Details |
| A | ILE931-TYR949 |
| site_id | SWS_FT_FI12 |
| Number of Residues | 20 |
| Details | TRANSMEM: Helical; Name=10 => ECO:0000269|PubMed:10864315 |
| Chain | Residue | Details |
| A | THR965-LYS985 |
| site_id | SWS_FT_FI13 |
| Number of Residues | 1 |
| Details | ACT_SITE: 4-aspartylphosphate intermediate => ECO:0000269|PubMed:10864315, ECO:0000269|PubMed:18075584 |
| Chain | Residue | Details |
| A | ASP351 |
| site_id | SWS_FT_FI14 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10864315, ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0007744|PDB:1SU4, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:2C9M, ECO:0007744|PDB:2ZBD, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3BA6, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:5XA7, ECO:0007744|PDB:5XA8 |
| Chain | Residue | Details |
| A | VAL304 |
| site_id | SWS_FT_FI15 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10864315, ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1SU4, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1T5T, ECO:0007744|PDB:2ZBD, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3BA6, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:5XA7, ECO:0007744|PDB:5XA8 |
| Chain | Residue | Details |
| A | ALA305 |
| site_id | SWS_FT_FI16 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10864315, ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1SU4, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1T5T, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:2ZBD, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3BA6, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4NAB, ECO:0007744|PDB:4XOU |
| Chain | Residue | Details |
| A | ILE307 |
| site_id | SWS_FT_FI17 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10864315, ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1SU4, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1T5T, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:2C9M, ECO:0007744|PDB:2ZBD, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3BA6, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4XOU, ECO:0007744|PDB:5XA7, ECO:0007744|PDB:5XA8 |
| Chain | Residue | Details |
| A | GLU309 |
| site_id | SWS_FT_FI18 |
| Number of Residues | 3 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1T5T, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:1WPG, ECO:0007744|PDB:1XP5, ECO:0007744|PDB:2ZBD, ECO:0007744|PDB:2ZBE, ECO:0007744|PDB:2ZBF, ECO:0007744|PDB:2ZBG, ECO:0007744|PDB:3AR8, ECO:0007744|PDB:3AR9, ECO:0007744|PDB:3B9B, ECO:0007744|PDB:3B9R, ECO:0007744|PDB:3FGO, ECO:0007744|PDB:3FPB, ECO:0007744|PDB:3N5K, ECO:0007744|PDB:4BEW, ECO:0007744|PDB:5A3Q, ECO:0007744|PDB:5A3S |
| Chain | Residue | Details |
| A | ASP351 | |
| A | THR353 | |
| A | ASP703 |
| site_id | SWS_FT_FI19 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1T5T, ECO:0007744|PDB:2BY4, ECO:0007744|PDB:2C88, ECO:0007744|PDB:2DQS, ECO:0007744|PDB:2ZBD, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3AR3, ECO:0007744|PDB:4UU1, ECO:0007744|PDB:4XOU, ECO:0007744|PDB:5XA8 |
| Chain | Residue | Details |
| A | GLU442 |
| site_id | SWS_FT_FI20 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1T5T, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:1WPG, ECO:0007744|PDB:2DQS, ECO:0007744|PDB:2ZBD, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3B9R, ECO:0007744|PDB:3FGO, ECO:0007744|PDB:3FPB, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4BEW, ECO:0007744|PDB:4XOU, ECO:0007744|PDB:5XA8 |
| Chain | Residue | Details |
| A | ARG489 |
| site_id | SWS_FT_FI21 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:2BY4, ECO:0007744|PDB:2C8K, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4UU1, ECO:0007744|PDB:4XOU |
| Chain | Residue | Details |
| A | LYS515 |
| site_id | SWS_FT_FI22 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:2BY4, ECO:0007744|PDB:2C88, ECO:0007744|PDB:2C8K, ECO:0007744|PDB:2DQS, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3B9R, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4H1W, ECO:0007744|PDB:4UU1, ECO:0007744|PDB:4XOU |
| Chain | Residue | Details |
| A | ARG560 |
| site_id | SWS_FT_FI23 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1T5T, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4XOU, ECO:0007744|PDB:5XA8 |
| Chain | Residue | Details |
| A | THR625 |
| site_id | SWS_FT_FI24 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4UU1, ECO:0007744|PDB:4XOU |
| Chain | Residue | Details |
| A | GLY626 |
| site_id | SWS_FT_FI25 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15192230, ECO:0007744|PDB:1T5T |
| Chain | Residue | Details |
| A | ASP627 |
| site_id | SWS_FT_FI26 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1T5T, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:2ZBD, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3FGO, ECO:0007744|PDB:3FPB, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4BEW, ECO:0007744|PDB:4XOU, ECO:0007744|PDB:5XA8 |
| Chain | Residue | Details |
| A | ARG678 |
| site_id | SWS_FT_FI27 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4XOU |
| Chain | Residue | Details |
| A | LYS684 |
| site_id | SWS_FT_FI28 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4XOU |
| Chain | Residue | Details |
| A | ASN706 |
| site_id | SWS_FT_FI29 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10864315, ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1SU4, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1T5T, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:2C9M, ECO:0007744|PDB:2ZBD, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3BA6, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4NAB, ECO:0007744|PDB:4XOU, ECO:0007744|PDB:5XA7, ECO:0007744|PDB:5XA8 |
| Chain | Residue | Details |
| A | ASN768 | |
| A | THR799 |
| site_id | SWS_FT_FI30 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10864315, ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1SU4, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1T5T, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:2C9M, ECO:0007744|PDB:2ZBD, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3BA6, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:5XA7, ECO:0007744|PDB:5XA8 |
| Chain | Residue | Details |
| A | GLU771 |
| site_id | SWS_FT_FI31 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1SU4, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:1T5T, ECO:0007744|PDB:2ZBD, ECO:0007744|PDB:3BA6, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4XOU, ECO:0007744|PDB:5XA7, ECO:0007744|PDB:5XA8 |
| Chain | Residue | Details |
| A | ASN796 |
| site_id | SWS_FT_FI32 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10864315, ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1SU4, ECO:0007744|PDB:1T5T, ECO:0007744|PDB:1VFP, ECO:0007744|PDB:2C9M, ECO:0007744|PDB:2ZBD, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3BA6, ECO:0007744|PDB:3N8G, ECO:0007744|PDB:4NAB, ECO:0007744|PDB:4XOU, ECO:0007744|PDB:5XA7, ECO:0007744|PDB:5XA8 |
| Chain | Residue | Details |
| A | ASP800 |
| site_id | SWS_FT_FI33 |
| Number of Residues | 1 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10864315, ECO:0000269|PubMed:15192230, ECO:0000269|PubMed:15229613, ECO:0000269|PubMed:26175901, ECO:0007744|PDB:1SU4, ECO:0007744|PDB:1T5S, ECO:0007744|PDB:2C9M, ECO:0007744|PDB:3AR2, ECO:0007744|PDB:3BA6, ECO:0007744|PDB:4NAB, ECO:0007744|PDB:4XOU |
| Chain | Residue | Details |
| A | GLU908 |
| site_id | SWS_FT_FI34 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphothreonine => ECO:0000250|UniProtKB:Q64578 |
| Chain | Residue | Details |
| A | THR441 | |
| A | THR569 |
| site_id | SWS_FT_FI35 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:Q64578 |
| Chain | Residue | Details |
| A | SER581 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 3 |
| Details | M-CSA 849 |
| Chain | Residue | Details |
| A | ASP351 | covalent catalysis |
| A | ASP703 | metal ligand |
| A | ASP707 | metal ligand |
