2WEL
Crystal structure of SU6656-bound calcium/calmodulin-dependent protein kinase II delta in complex with calmodulin
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004672 | molecular_function | protein kinase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0006468 | biological_process | protein phosphorylation |
| D | 0000086 | biological_process | G2/M transition of mitotic cell cycle |
| D | 0000922 | cellular_component | spindle pole |
| D | 0002027 | biological_process | regulation of heart rate |
| D | 0005509 | molecular_function | calcium ion binding |
| D | 0005513 | biological_process | detection of calcium ion |
| D | 0005515 | molecular_function | protein binding |
| D | 0005576 | cellular_component | extracellular region |
| D | 0005634 | cellular_component | nucleus |
| D | 0005654 | cellular_component | nucleoplasm |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005813 | cellular_component | centrosome |
| D | 0005819 | cellular_component | spindle |
| D | 0005829 | cellular_component | cytosol |
| D | 0005856 | cellular_component | cytoskeleton |
| D | 0005876 | cellular_component | spindle microtubule |
| D | 0005886 | cellular_component | plasma membrane |
| D | 0007186 | biological_process | G protein-coupled receptor signaling pathway |
| D | 0008076 | cellular_component | voltage-gated potassium channel complex |
| D | 0010800 | biological_process | positive regulation of peptidyl-threonine phosphorylation |
| D | 0010801 | biological_process | negative regulation of peptidyl-threonine phosphorylation |
| D | 0010856 | molecular_function | adenylate cyclase activator activity |
| D | 0010880 | biological_process | regulation of release of sequestered calcium ion into cytosol by sarcoplasmic reticulum |
| D | 0010881 | biological_process | regulation of cardiac muscle contraction by regulation of the release of sequestered calcium ion |
| D | 0016020 | cellular_component | membrane |
| D | 0016240 | biological_process | autophagosome membrane docking |
| D | 0019855 | molecular_function | calcium channel inhibitor activity |
| D | 0019901 | molecular_function | protein kinase binding |
| D | 0021762 | biological_process | substantia nigra development |
| D | 0030017 | cellular_component | sarcomere |
| D | 0031432 | molecular_function | titin binding |
| D | 0031514 | cellular_component | motile cilium |
| D | 0031954 | biological_process | positive regulation of protein autophosphorylation |
| D | 0031982 | cellular_component | vesicle |
| D | 0032465 | biological_process | regulation of cytokinesis |
| D | 0032516 | biological_process | positive regulation of phosphoprotein phosphatase activity |
| D | 0032991 | cellular_component | protein-containing complex |
| D | 0034704 | cellular_component | calcium channel complex |
| D | 0035307 | biological_process | positive regulation of protein dephosphorylation |
| D | 0035458 | biological_process | cellular response to interferon-beta |
| D | 0043209 | cellular_component | myelin sheath |
| D | 0043539 | molecular_function | protein serine/threonine kinase activator activity |
| D | 0044325 | molecular_function | transmembrane transporter binding |
| D | 0046427 | biological_process | positive regulation of receptor signaling pathway via JAK-STAT |
| D | 0046872 | molecular_function | metal ion binding |
| D | 0048306 | molecular_function | calcium-dependent protein binding |
| D | 0050848 | biological_process | regulation of calcium-mediated signaling |
| D | 0051343 | biological_process | positive regulation of cyclic-nucleotide phosphodiesterase activity |
| D | 0051592 | biological_process | response to calcium ion |
| D | 0055117 | biological_process | regulation of cardiac muscle contraction |
| D | 0060314 | biological_process | regulation of ryanodine-sensitive calcium-release channel activity |
| D | 0060315 | biological_process | negative regulation of ryanodine-sensitive calcium-release channel activity |
| D | 0060316 | biological_process | positive regulation of ryanodine-sensitive calcium-release channel activity |
| D | 0071346 | biological_process | cellular response to type II interferon |
| D | 0071902 | biological_process | positive regulation of protein serine/threonine kinase activity |
| D | 0072542 | molecular_function | protein phosphatase activator activity |
| D | 0097225 | cellular_component | sperm midpiece |
| D | 0098901 | biological_process | regulation of cardiac muscle cell action potential |
| D | 0140056 | biological_process | organelle localization by membrane tethering |
| D | 1901842 | biological_process | negative regulation of high voltage-gated calcium channel activity |
| D | 1901844 | biological_process | regulation of cell communication by electrical coupling involved in cardiac conduction |
| D | 1902494 | cellular_component | catalytic complex |
| D | 1905913 | biological_process | negative regulation of calcium ion export across plasma membrane |
| D | 1990456 | biological_process | mitochondrion-endoplasmic reticulum membrane tethering |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE K88 A 600 |
| Chain | Residue |
| A | LEU20 |
| A | EDO700 |
| A | EDO701 |
| A | VAL28 |
| A | ALA41 |
| A | LYS43 |
| A | PHE90 |
| A | ASP91 |
| A | LEU92 |
| A | VAL93 |
| A | ASP157 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 700 |
| Chain | Residue |
| A | K88600 |
| A | HOH2289 |
| A | HOH2290 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 701 |
| Chain | Residue |
| A | GLU61 |
| A | VAL74 |
| A | PHE90 |
| A | ALA156 |
| A | ASP157 |
| A | PHE158 |
| A | K88600 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 702 |
| Chain | Residue |
| A | GLU140 |
| A | TYR180 |
| A | HIS283 |
| A | GLN285 |
| A | HOH2292 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 703 |
| Chain | Residue |
| A | HIS55 |
| A | SER81 |
| A | LYS147 |
| A | PO4706 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 704 |
| Chain | Residue |
| A | TYR14 |
| A | LYS33 |
| A | HIS77 |
| A | PO4707 |
| A | HOH2089 |
| A | HOH2293 |
| D | HOH2092 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 705 |
| Chain | Residue |
| A | TYR205 |
| A | PRO213 |
| A | TYR231 |
| A | ASP232 |
| A | HOH2294 |
| site_id | AC8 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE PO4 A 706 |
| Chain | Residue |
| A | THR47 |
| A | HIS55 |
| A | SER81 |
| A | GLU82 |
| A | PHE85 |
| A | HIS86 |
| A | SER148 |
| A | LYS149 |
| A | EDO703 |
| A | HOH2295 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PO4 A 707 |
| Chain | Residue |
| A | LYS69 |
| A | ARG75 |
| A | HIS77 |
| A | EDO704 |
| A | HOH2089 |
| A | HOH2297 |
| site_id | BC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA D 600 |
| Chain | Residue |
| D | ASP21 |
| D | ASP23 |
| D | ASP25 |
| D | THR27 |
| D | GLU32 |
| D | HOH2019 |
| site_id | BC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA D 601 |
| Chain | Residue |
| D | ASP57 |
| D | ASP59 |
| D | ASN61 |
| D | THR63 |
| D | GLU68 |
| D | HOH2053 |
| site_id | BC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA D 602 |
| Chain | Residue |
| D | ASP94 |
| D | ASP96 |
| D | ASN98 |
| D | TYR100 |
| D | GLU105 |
| D | HOH2104 |
| site_id | BC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA D 603 |
| Chain | Residue |
| D | ASP130 |
| D | ASP132 |
| D | ASP134 |
| D | GLN136 |
| D | GLU141 |
| D | HOH2102 |
Functional Information from PROSITE/UniProt
| site_id | PS00018 |
| Number of Residues | 13 |
| Details | EF_HAND_1 EF-hand calcium-binding domain. DKDGDGTITtkEL |
| Chain | Residue | Details |
| D | ASP21-LEU33 | |
| D | ASP57-PHE69 | |
| D | ASP94-LEU106 | |
| D | ASP130-PHE142 |
| site_id | PS00107 |
| Number of Residues | 24 |
| Details | PROTEIN_KINASE_ATP Protein kinases ATP-binding region signature. LGKGAFSVVRrCmkiptgqe..........YAAK |
| Chain | Residue | Details |
| A | LEU20-LYS43 |
| site_id | PS00108 |
| Number of Residues | 13 |
| Details | PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IvHrDLKpeNLLL |
| Chain | Residue | Details |
| A | ILE132-LEU144 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 10 |
| Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00448, ECO:0000269|PubMed:1474585, ECO:0000269|PubMed:25441029, ECO:0000269|PubMed:27564677, ECO:0007744|PDB:1CLL, ECO:0007744|PDB:4UMO, ECO:0007744|PDB:4V0C, ECO:0007744|PDB:5J03 |
| Chain | Residue | Details |
| D | ASP21 | |
| D | GLU68 | |
| D | ASP23 | |
| D | ASP25 | |
| D | THR27 | |
| D | GLU32 | |
| D | ASP57 | |
| D | ASP59 | |
| D | ASN61 | |
| D | THR63 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 10 |
| Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00448, ECO:0000269|PubMed:1474585, ECO:0000269|PubMed:27564677, ECO:0007744|PDB:1CLL, ECO:0007744|PDB:5J03 |
| Chain | Residue | Details |
| D | ASP94 | |
| D | GLU141 | |
| D | ASP96 | |
| D | ASN98 | |
| D | TYR100 | |
| D | GLU105 | |
| D | ASP130 | |
| D | ASP132 | |
| D | ASP134 | |
| D | GLN136 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | MOD_RES: N-acetylalanine => ECO:0000269|PubMed:7093203, ECO:0000269|Ref.7, ECO:0007744|PubMed:19413330, ECO:0007744|PubMed:22223895, ECO:0007744|PubMed:22814378, ECO:0007744|PubMed:25944712 |
| Chain | Residue | Details |
| D | ALA2 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | MOD_RES: N6-acetyllysine; alternate => ECO:0007744|PubMed:19608861 |
| Chain | Residue | Details |
| D | LYS22 | |
| A | THR307 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphothreonine; by CaMK4 => ECO:0000250|UniProtKB:P0DP29 |
| Chain | Residue | Details |
| D | THR45 | |
| A | SER330 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| D | SER82 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 1 |
| Details | MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861 |
| Chain | Residue | Details |
| D | LYS95 |
| site_id | SWS_FT_FI8 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphotyrosine => ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:19690332 |
| Chain | Residue | Details |
| D | TYR100 |
| site_id | SWS_FT_FI9 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:21406692, ECO:0007744|PubMed:23186163, ECO:0007744|PubMed:24275569 |
| Chain | Residue | Details |
| D | SER102 |
| site_id | SWS_FT_FI10 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphothreonine => ECO:0007744|PubMed:24275569 |
| Chain | Residue | Details |
| D | THR111 |
| site_id | SWS_FT_FI11 |
| Number of Residues | 1 |
| Details | MOD_RES: N6-methyllysine; alternate => ECO:0007744|PubMed:24129315 |
| Chain | Residue | Details |
| D | LYS116 |
| site_id | SWS_FT_FI12 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphotyrosine => ECO:0007744|PubMed:19690332 |
| Chain | Residue | Details |
| D | TYR139 |
| site_id | SWS_FT_FI13 |
| Number of Residues | 2 |
| Details | CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin); alternate => ECO:0000250|UniProtKB:P62157 |
| Chain | Residue | Details |
| D | LYS22 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| A | ASP136 | |
| A | GLU140 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| A | ASP136 | |
| A | LYS138 |
| site_id | CSA3 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| A | ASP136 | |
| A | LYS138 | |
| A | THR177 |
| site_id | CSA4 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1ir3 |
| Chain | Residue | Details |
| A | ASP136 | |
| A | LYS138 | |
| A | ASN141 |
