7U0T
Crystal Structure of a human Calcineurin A - Calcineurin B fusion bound to FKBP12 and FK-520
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004721 | molecular_function | phosphoprotein phosphatase activity |
| A | 0004723 | molecular_function | calcium-dependent protein serine/threonine phosphatase activity |
| A | 0005509 | molecular_function | calcium ion binding |
| A | 0005515 | molecular_function | protein binding |
| A | 0005516 | molecular_function | calmodulin binding |
| A | 0005654 | cellular_component | nucleoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0005886 | cellular_component | plasma membrane |
| A | 0005955 | cellular_component | calcineurin complex |
| A | 0008597 | molecular_function | calcium-dependent protein serine/threonine phosphatase regulator activity |
| A | 0019902 | molecular_function | phosphatase binding |
| A | 0019904 | molecular_function | protein domain specific binding |
| A | 0033173 | biological_process | calcineurin-NFAT signaling cascade |
| A | 0042383 | cellular_component | sarcolemma |
| A | 0045202 | cellular_component | synapse |
| A | 0045944 | biological_process | positive regulation of transcription by RNA polymerase II |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0070886 | biological_process | positive regulation of calcineurin-NFAT signaling cascade |
| A | 0098685 | cellular_component | Schaffer collateral - CA1 synapse |
| A | 0098686 | cellular_component | hippocampal mossy fiber to CA3 synapse |
| A | 0098688 | cellular_component | parallel fiber to Purkinje cell synapse |
| A | 0098693 | biological_process | regulation of synaptic vesicle cycle |
| A | 0098794 | cellular_component | postsynapse |
| A | 0098978 | cellular_component | glutamatergic synapse |
| A | 0099149 | biological_process | regulation of postsynaptic neurotransmitter receptor internalization |
| A | 0099170 | biological_process | postsynaptic modulation of chemical synaptic transmission |
| A | 1905665 | biological_process | positive regulation of calcium ion import across plasma membrane |
| A | 1905949 | biological_process | negative regulation of calcium ion import across plasma membrane |
| B | 0003007 | biological_process | heart morphogenesis |
| B | 0003755 | molecular_function | peptidyl-prolyl cis-trans isomerase activity |
| B | 0005160 | molecular_function | transforming growth factor beta receptor binding |
| B | 0005246 | molecular_function | calcium channel regulator activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005527 | molecular_function | macrolide binding |
| B | 0005528 | molecular_function | FK506 binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0006457 | biological_process | protein folding |
| B | 0006458 | biological_process | 'de novo' protein folding |
| B | 0010881 | biological_process | regulation of cardiac muscle contraction by regulation of the release of sequestered calcium ion |
| B | 0014802 | cellular_component | terminal cisterna |
| B | 0014809 | biological_process | regulation of skeletal muscle contraction by regulation of release of sequestered calcium ion |
| B | 0016020 | cellular_component | membrane |
| B | 0016529 | cellular_component | sarcoplasmic reticulum |
| B | 0016853 | molecular_function | isomerase activity |
| B | 0030018 | cellular_component | Z disc |
| B | 0030512 | biological_process | negative regulation of transforming growth factor beta receptor signaling pathway |
| B | 0030547 | molecular_function | signaling receptor inhibitor activity |
| B | 0032880 | biological_process | regulation of protein localization |
| B | 0032926 | biological_process | negative regulation of activin receptor signaling pathway |
| B | 0033017 | cellular_component | sarcoplasmic reticulum membrane |
| B | 0034713 | molecular_function | type I transforming growth factor beta receptor binding |
| B | 0042026 | biological_process | protein refolding |
| B | 0042110 | biological_process | T cell activation |
| B | 0043123 | biological_process | positive regulation of canonical NF-kappaB signal transduction |
| B | 0044325 | molecular_function | transmembrane transporter binding |
| B | 0050776 | biological_process | regulation of immune response |
| B | 0051604 | biological_process | protein maturation |
| B | 0055010 | biological_process | ventricular cardiac muscle tissue morphogenesis |
| B | 0060347 | biological_process | heart trabecula formation |
| B | 0070411 | molecular_function | I-SMAD binding |
| B | 0070697 | molecular_function | activin receptor binding |
| B | 0097435 | biological_process | supramolecular fiber organization |
| B | 0098562 | cellular_component | cytoplasmic side of membrane |
| B | 1902991 | biological_process | regulation of amyloid precursor protein catabolic process |
| B | 1990000 | biological_process | amyloid fibril formation |
| B | 1990425 | cellular_component | ryanodine receptor complex |
Functional Information from PROSITE/UniProt
| site_id | PS00018 |
| Number of Residues | 13 |
| Details | EF_HAND_1 EF-hand calcium-binding domain. DLDNSGSLSveEF |
| Chain | Residue | Details |
| A | ASP30-PHE42 | |
| A | ASP62-PHE74 | |
| A | ASP99-LEU111 | |
| A | ASP140-PHE152 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 22 |
| Details | Region: {"description":"Calcineurin B binding","evidences":[{"source":"UniProtKB","id":"P16298","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 28 |
| Details | Domain: {"description":"EF-hand 1","evidences":[{"source":"PROSITE-ProRule","id":"PRU00448","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 35 |
| Details | Domain: {"description":"EF-hand 2","evidences":[{"source":"PROSITE-ProRule","id":"PRU00448","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 35 |
| Details | Domain: {"description":"EF-hand 3","evidences":[{"source":"PROSITE-ProRule","id":"PRU00448","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 35 |
| Details | Domain: {"description":"EF-hand 4","evidences":[{"source":"PROSITE-ProRule","id":"PRU00448","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 5 |
| Details | Region: {"description":"Calcineurin A binding","evidences":[{"source":"PubMed","id":"12218175","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12357034","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17498738","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22343722","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23468591","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26794871","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27974827","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8524402","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 15 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00448","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"12218175","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12357034","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17498738","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22343722","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23468591","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26794871","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27974827","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8524402","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1AUI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M63","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1MF8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2P6B","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LL8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4F0Z","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OR9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4ORA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4ORC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5SVE","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 5 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00448","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"12218175","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12357034","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17498738","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"22343722","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"23468591","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"26794871","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27974827","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"31375679","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8524402","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"6NUC","evidenceCode":"ECO:0000312"},{"source":"PDB","id":"1AUI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1M63","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1MF8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2P6B","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LL8","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4F0Z","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OR9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4ORA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4ORC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5SVE","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI9 |
| Number of Residues | 2 |
| Details | Site: {"description":"Interaction with PxVP motif in substrates of the catalytic subunit","evidences":[{"source":"PubMed","id":"23468591","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI10 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"UniProtKB","id":"Q63810","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI12 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"N6-succinyllysine; alternate","evidences":[{"source":"UniProtKB","id":"P26883","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 6 |
| Details | M-CSA 362 |
| Chain | Residue | Details |
| B | TYR26 | electrostatic destabiliser, steric role |
| B | PHE36 | electrostatic destabiliser, polar/non-polar interaction, steric role |
| B | ASP37 | electrostatic stabiliser, steric role |
| B | ILE56 | electrostatic stabiliser, steric role |
| B | TYR82 | electrostatic stabiliser, steric role |
| B | PHE99 | electrostatic destabiliser, polar/non-polar interaction, steric role |
