3LL8
Crystal Structure of Calcineurin in Complex with AKAP79 Peptide
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0016787 | molecular_function | hydrolase activity |
A | 0033192 | molecular_function | calmodulin-dependent protein phosphatase activity |
A | 0097720 | biological_process | calcineurin-mediated signaling |
B | 0001569 | biological_process | branching involved in blood vessel morphogenesis |
B | 0001837 | biological_process | epithelial to mesenchymal transition |
B | 0004721 | molecular_function | phosphoprotein phosphatase activity |
B | 0004723 | molecular_function | calcium-dependent protein serine/threonine phosphatase activity |
B | 0005509 | molecular_function | calcium ion binding |
B | 0005515 | molecular_function | protein binding |
B | 0005516 | molecular_function | calmodulin binding |
B | 0005654 | cellular_component | nucleoplasm |
B | 0005737 | cellular_component | cytoplasm |
B | 0005829 | cellular_component | cytosol |
B | 0005886 | cellular_component | plasma membrane |
B | 0005955 | cellular_component | calcineurin complex |
B | 0006606 | biological_process | protein import into nucleus |
B | 0007507 | biological_process | heart development |
B | 0008287 | cellular_component | protein serine/threonine phosphatase complex |
B | 0008597 | molecular_function | calcium-dependent protein serine/threonine phosphatase regulator activity |
B | 0014044 | biological_process | Schwann cell development |
B | 0019902 | molecular_function | phosphatase binding |
B | 0019904 | molecular_function | protein domain specific binding |
B | 0022011 | biological_process | myelination in peripheral nervous system |
B | 0033173 | biological_process | calcineurin-NFAT signaling cascade |
B | 0034504 | biological_process | protein localization to nucleus |
B | 0042383 | cellular_component | sarcolemma |
B | 0045202 | cellular_component | synapse |
B | 0045944 | biological_process | positive regulation of transcription by RNA polymerase II |
B | 0046872 | molecular_function | metal ion binding |
B | 0060487 | biological_process | lung epithelial cell differentiation |
B | 0070886 | biological_process | positive regulation of calcineurin-NFAT signaling cascade |
B | 0097720 | biological_process | calcineurin-mediated signaling |
B | 0098685 | cellular_component | Schaffer collateral - CA1 synapse |
B | 0098686 | cellular_component | hippocampal mossy fiber to CA3 synapse |
B | 0098688 | cellular_component | parallel fiber to Purkinje cell synapse |
B | 0098693 | biological_process | regulation of synaptic vesicle cycle |
B | 0098794 | cellular_component | postsynapse |
B | 0098978 | cellular_component | glutamatergic synapse |
B | 0099149 | biological_process | regulation of postsynaptic neurotransmitter receptor internalization |
B | 0099170 | biological_process | postsynaptic modulation of chemical synaptic transmission |
B | 1905665 | biological_process | positive regulation of calcium ion import across plasma membrane |
B | 1905949 | biological_process | negative regulation of calcium ion import across plasma membrane |
C | 0016787 | molecular_function | hydrolase activity |
C | 0033192 | molecular_function | calmodulin-dependent protein phosphatase activity |
C | 0097720 | biological_process | calcineurin-mediated signaling |
D | 0001569 | biological_process | branching involved in blood vessel morphogenesis |
D | 0001837 | biological_process | epithelial to mesenchymal transition |
D | 0004721 | molecular_function | phosphoprotein phosphatase activity |
D | 0004723 | molecular_function | calcium-dependent protein serine/threonine phosphatase activity |
D | 0005509 | molecular_function | calcium ion binding |
D | 0005515 | molecular_function | protein binding |
D | 0005516 | molecular_function | calmodulin binding |
D | 0005654 | cellular_component | nucleoplasm |
D | 0005737 | cellular_component | cytoplasm |
D | 0005829 | cellular_component | cytosol |
D | 0005886 | cellular_component | plasma membrane |
D | 0005955 | cellular_component | calcineurin complex |
D | 0006606 | biological_process | protein import into nucleus |
D | 0007507 | biological_process | heart development |
D | 0008287 | cellular_component | protein serine/threonine phosphatase complex |
D | 0008597 | molecular_function | calcium-dependent protein serine/threonine phosphatase regulator activity |
D | 0014044 | biological_process | Schwann cell development |
D | 0019902 | molecular_function | phosphatase binding |
D | 0019904 | molecular_function | protein domain specific binding |
D | 0022011 | biological_process | myelination in peripheral nervous system |
D | 0033173 | biological_process | calcineurin-NFAT signaling cascade |
D | 0034504 | biological_process | protein localization to nucleus |
D | 0042383 | cellular_component | sarcolemma |
D | 0045202 | cellular_component | synapse |
D | 0045944 | biological_process | positive regulation of transcription by RNA polymerase II |
D | 0046872 | molecular_function | metal ion binding |
D | 0060487 | biological_process | lung epithelial cell differentiation |
D | 0070886 | biological_process | positive regulation of calcineurin-NFAT signaling cascade |
D | 0097720 | biological_process | calcineurin-mediated signaling |
D | 0098685 | cellular_component | Schaffer collateral - CA1 synapse |
D | 0098686 | cellular_component | hippocampal mossy fiber to CA3 synapse |
D | 0098688 | cellular_component | parallel fiber to Purkinje cell synapse |
D | 0098693 | biological_process | regulation of synaptic vesicle cycle |
D | 0098794 | cellular_component | postsynapse |
D | 0098978 | cellular_component | glutamatergic synapse |
D | 0099149 | biological_process | regulation of postsynaptic neurotransmitter receptor internalization |
D | 0099170 | biological_process | postsynaptic modulation of chemical synaptic transmission |
D | 1905665 | biological_process | positive regulation of calcium ion import across plasma membrane |
D | 1905949 | biological_process | negative regulation of calcium ion import across plasma membrane |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE PO4 A 500 |
Chain | Residue |
A | HIS92 |
A | HOH520 |
A | HOH525 |
A | ASP118 |
A | ARG122 |
A | ASN150 |
A | HIS151 |
A | ARG254 |
A | HIS281 |
A | ZN505 |
A | FE506 |
site_id | AC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE ZN A 505 |
Chain | Residue |
A | ASP118 |
A | ASN150 |
A | HIS199 |
A | HIS281 |
A | PO4500 |
A | FE506 |
site_id | AC3 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE FE A 506 |
Chain | Residue |
A | ASP90 |
A | HIS92 |
A | ASP118 |
A | PO4500 |
A | ZN505 |
A | HOH525 |
site_id | AC4 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE CA B 501 |
Chain | Residue |
B | ASP30 |
B | ASP32 |
B | SER34 |
B | SER36 |
B | GLU41 |
B | HOH421 |
site_id | AC5 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE CA B 502 |
Chain | Residue |
B | ASP62 |
B | ASP64 |
B | ASN66 |
B | GLU68 |
B | GLU73 |
B | HOH422 |
site_id | AC6 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE CA B 503 |
Chain | Residue |
B | ASP99 |
B | ASP101 |
B | ASP103 |
B | TYR105 |
B | GLU110 |
B | HOH423 |
site_id | AC7 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE CA B 504 |
Chain | Residue |
B | ASP140 |
B | ASP142 |
B | ASP144 |
B | ARG146 |
B | GLU151 |
B | HOH424 |
site_id | AC8 |
Number of Residues | 10 |
Details | BINDING SITE FOR RESIDUE PO4 C 507 |
Chain | Residue |
C | HIS92 |
C | ASP118 |
C | ARG122 |
C | ASN150 |
C | HIS151 |
C | ARG254 |
C | HIS281 |
C | ZN512 |
C | FE513 |
C | HOH601 |
site_id | AC9 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE ZN C 512 |
Chain | Residue |
C | ASP118 |
C | ASN150 |
C | HIS199 |
C | HIS281 |
C | PO4507 |
C | FE513 |
site_id | BC1 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE FE C 513 |
Chain | Residue |
C | ASP90 |
C | HIS92 |
C | ASP118 |
C | PO4507 |
C | ZN512 |
C | HOH601 |
site_id | BC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE CA D 508 |
Chain | Residue |
D | ASP30 |
D | ASP32 |
D | SER34 |
D | SER36 |
D | GLU41 |
D | HOH415 |
site_id | BC3 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE CA D 509 |
Chain | Residue |
D | ASP62 |
D | ASP64 |
D | ASN66 |
D | GLU68 |
D | GLU73 |
D | HOH412 |
site_id | BC4 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE CA D 510 |
Chain | Residue |
D | ASP99 |
D | ASP101 |
D | ASP103 |
D | TYR105 |
D | GLU110 |
D | HOH413 |
site_id | BC5 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE CA D 511 |
Chain | Residue |
D | ASP140 |
D | ASP142 |
D | ASP144 |
D | ARG146 |
D | GLU151 |
D | HOH414 |
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 |
B | ASP30-PHE42 | |
B | ASP62-PHE74 | |
B | ASP99-LEU111 | |
B | ASP140-PHE152 |
site_id | PS00125 |
Number of Residues | 6 |
Details | SER_THR_PHOSPHATASE Serine/threonine specific protein phosphatases signature. LRGNHE |
Chain | Residue | Details |
A | LEU147-GLU152 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 30 |
Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00448, ECO:0000269|PubMed:12218175, ECO:0000269|PubMed:12357034, ECO:0000269|PubMed:17498738, ECO:0000269|PubMed:22343722, ECO:0000269|PubMed:23468591, ECO:0000269|PubMed:26794871, ECO:0000269|PubMed:27974827, ECO:0000269|PubMed:8524402, ECO:0007744|PDB:1AUI, ECO:0007744|PDB:1M63, ECO:0007744|PDB:1MF8, ECO:0007744|PDB:2P6B, ECO:0007744|PDB:3LL8, ECO:0007744|PDB:4F0Z, ECO:0007744|PDB:4OR9, ECO:0007744|PDB:4ORA, ECO:0007744|PDB:4ORC, ECO:0007744|PDB:5SVE |
Chain | Residue | Details |
B | ASP30 | |
B | GLU73 | |
B | ASP140 | |
B | ASP142 | |
B | ASP144 | |
B | ARG146 | |
B | GLU151 | |
D | ASP30 | |
D | ASP32 | |
D | SER34 | |
D | SER36 | |
B | ASP32 | |
D | GLU41 | |
D | ASP62 | |
D | ASP64 | |
D | ASN66 | |
D | GLU68 | |
D | GLU73 | |
D | ASP140 | |
D | ASP142 | |
D | ASP144 | |
D | ARG146 | |
B | SER34 | |
D | GLU151 | |
B | SER36 | |
B | GLU41 | |
B | ASP62 | |
B | ASP64 | |
B | ASN66 | |
B | GLU68 |
site_id | SWS_FT_FI2 |
Number of Residues | 10 |
Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00448, ECO:0000269|PubMed:12218175, ECO:0000269|PubMed:12357034, ECO:0000269|PubMed:17498738, ECO:0000269|PubMed:22343722, ECO:0000269|PubMed:23468591, ECO:0000269|PubMed:26794871, ECO:0000269|PubMed:27974827, ECO:0000269|PubMed:31375679, ECO:0000269|PubMed:8524402, ECO:0000312|PDB:6NUC, ECO:0007744|PDB:1AUI, ECO:0007744|PDB:1M63, ECO:0007744|PDB:1MF8, ECO:0007744|PDB:2P6B, ECO:0007744|PDB:3LL8, ECO:0007744|PDB:4F0Z, ECO:0007744|PDB:4OR9, ECO:0007744|PDB:4ORA, ECO:0007744|PDB:4ORC, ECO:0007744|PDB:5SVE |
Chain | Residue | Details |
B | ASP99 | |
D | GLU110 | |
C | HIS199 | |
C | HIS281 | |
B | ASP101 | |
B | ASP103 | |
B | TYR105 | |
B | GLU110 | |
D | ASP99 | |
D | ASP101 | |
D | ASP103 | |
D | TYR105 |
site_id | SWS_FT_FI3 |
Number of Residues | 4 |
Details | SITE: Interaction with PxVP motif in substrates of the catalytic subunit => ECO:0000269|PubMed:23468591 |
Chain | Residue | Details |
B | MET117 | |
B | ASN121 | |
D | MET117 | |
D | ASN121 |
site_id | SWS_FT_FI4 |
Number of Residues | 2 |
Details | MOD_RES: Phosphotyrosine => ECO:0000250|UniProtKB:Q63810 |
Chain | Residue | Details |
B | TYR105 | |
D | TYR105 |
Catalytic Information from CSA
site_id | MCSA1 |
Number of Residues | 10 |
Details | M-CSA 406 |
Chain | Residue | Details |
A | ASP90 | metal ligand |
A | HIS281 | metal ligand |
A | HIS92 | metal ligand |
A | ASP118 | metal ligand |
A | ASP121 | electrostatic stabiliser |
A | ARG122 | transition state stabiliser |
A | ASN150 | metal ligand |
A | HIS151 | proton shuttle (general acid/base) |
A | HIS199 | metal ligand |
A | ARG254 | transition state stabiliser |
site_id | MCSA2 |
Number of Residues | 10 |
Details | M-CSA 406 |
Chain | Residue | Details |
C | ASP90 | metal ligand |
C | HIS281 | metal ligand |
C | HIS92 | metal ligand |
C | ASP118 | metal ligand |
C | ASP121 | electrostatic stabiliser |
C | ARG122 | transition state stabiliser |
C | ASN150 | metal ligand |
C | HIS151 | proton shuttle (general acid/base) |
C | HIS199 | metal ligand |
C | ARG254 | transition state stabiliser |