2P6B
Crystal Structure of Human Calcineurin in Complex with PVIVIT 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 | 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 | 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 | 6 |
| Details | BINDING SITE FOR RESIDUE ZN A 509 |
| Chain | Residue |
| A | ASP118 |
| A | ASN150 |
| A | HIS199 |
| A | HIS281 |
| A | FE510 |
| A | PO4511 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE FE A 510 |
| Chain | Residue |
| A | ZN509 |
| A | PO4511 |
| A | HOH673 |
| A | ASP90 |
| A | HIS92 |
| A | ASP118 |
| site_id | AC3 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE PO4 A 511 |
| Chain | Residue |
| A | HIS92 |
| A | ASP118 |
| A | ARG122 |
| A | ASN150 |
| A | HIS151 |
| A | ARG254 |
| A | HIS281 |
| A | ZN509 |
| A | FE510 |
| A | HOH538 |
| A | HOH554 |
| A | HOH615 |
| 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 | GLU68 |
| 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 | HOH530 |
| 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 | HOH521 |
| 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 | HOH532 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ZN C 512 |
| Chain | Residue |
| C | ASP118 |
| C | ASN150 |
| C | HIS199 |
| C | HIS281 |
| C | FE513 |
| C | PO4514 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE FE C 513 |
| Chain | Residue |
| C | ASP90 |
| C | HIS92 |
| C | ASP118 |
| C | ZN512 |
| C | PO4514 |
| C | HOH603 |
| site_id | BC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE PO4 C 514 |
| Chain | Residue |
| C | HIS92 |
| C | ASP118 |
| C | ARG122 |
| C | ASN150 |
| C | HIS151 |
| C | ARG254 |
| C | HIS281 |
| C | ZN512 |
| C | FE513 |
| C | HOH611 |
| C | HOH623 |
| site_id | BC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA D 505 |
| Chain | Residue |
| D | ASP30 |
| D | ASP32 |
| D | SER34 |
| D | SER36 |
| D | GLU41 |
| D | HOH533 |
| site_id | BC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA D 506 |
| Chain | Residue |
| D | ASP62 |
| D | ASP64 |
| D | ASN66 |
| D | GLU68 |
| D | GLU73 |
| D | HOH528 |
| site_id | BC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA D 507 |
| Chain | Residue |
| D | ASP99 |
| D | ASP101 |
| D | ASP103 |
| D | TYR105 |
| D | GLU110 |
| D | HOH523 |
| site_id | BC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE CA D 508 |
| Chain | Residue |
| D | ASP140 |
| D | ASP142 |
| D | ASP144 |
| D | ARG146 |
| D | GLU151 |
| D | HOH530 |
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 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | MOD_RES: 3'-nitrotyrosine => ECO:0000250|UniProtKB:P63328 |
| Chain | Residue | Details |
| A | TYR224 | |
| C | TYR224 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1aui |
| Chain | Residue | Details |
| A | ASP121 | |
| A | HIS151 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1aui |
| Chain | Residue | Details |
| C | ASP121 | |
| C | HIS151 |
| 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 |
