6NUF
Structure of Calcineurin in complex with NHE1 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 | 0016018 | molecular_function | cyclosporin A binding |
| 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 | 0006814 | biological_process | sodium ion transport |
| C | 0006885 | biological_process | regulation of pH |
| C | 0015385 | molecular_function | sodium:proton antiporter activity |
| C | 0016020 | cellular_component | membrane |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | binding site for residue FE A 401 |
| Chain | Residue |
| A | ASP90 |
| A | HIS92 |
| A | ASP118 |
| A | ZN402 |
| A | PO4403 |
| A | HOH526 |
| A | HOH669 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | binding site for residue ZN A 402 |
| Chain | Residue |
| A | HIS199 |
| A | HIS281 |
| A | FE401 |
| A | PO4403 |
| A | HOH526 |
| A | ASP118 |
| A | ASN150 |
| site_id | AC3 |
| Number of Residues | 14 |
| Details | binding site for residue PO4 A 403 |
| Chain | Residue |
| A | HIS92 |
| A | ASP118 |
| A | ARG122 |
| A | ASN150 |
| A | HIS151 |
| A | ARG254 |
| A | HIS281 |
| A | FE401 |
| A | ZN402 |
| A | HOH521 |
| A | HOH526 |
| A | HOH558 |
| A | HOH669 |
| A | HOH699 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | binding site for residue PGE A 404 |
| Chain | Residue |
| A | HIS155 |
| A | TRP232 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue PGE A 405 |
| Chain | Residue |
| A | ALA109 |
| A | ASN110 |
| A | THR143 |
| A | HOH633 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | binding site for residue PEG A 406 |
| Chain | Residue |
| A | GLN164 |
| A | LYS167 |
| A | HOH761 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue NA A 407 |
| Chain | Residue |
| A | GLU172 |
| A | ASP176 |
| A | HOH504 |
| A | HOH592 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | binding site for residue CA B 201 |
| Chain | Residue |
| B | ASP63 |
| B | ASP65 |
| B | ASN67 |
| B | GLU69 |
| B | GLU74 |
| B | HOH307 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | binding site for residue CA B 202 |
| Chain | Residue |
| B | ASP141 |
| B | ASP143 |
| B | ASP145 |
| B | ARG147 |
| B | GLU152 |
| B | HOH342 |
| site_id | AD1 |
| Number of Residues | 6 |
| Details | binding site for residue CA B 203 |
| Chain | Residue |
| B | ASP31 |
| B | ASP33 |
| B | SER35 |
| B | SER37 |
| B | GLU42 |
| B | HOH372 |
| site_id | AD2 |
| Number of Residues | 6 |
| Details | binding site for residue CA B 204 |
| Chain | Residue |
| B | ASP100 |
| B | ASP102 |
| B | ASP104 |
| B | TYR106 |
| B | GLU111 |
| B | HOH326 |
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 | ASP31-PHE43 | |
| B | ASP63-PHE75 | |
| B | ASP100-LEU112 | |
| B | ASP141-PHE153 |
| 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 | 1 |
| Details | ACT_SITE: Proton donor => ECO:0000305|PubMed:8524402 |
| Chain | Residue | Details |
| A | HIS151 | |
| B | GLU74 | |
| B | ASP141 | |
| B | ASP143 | |
| B | ASP145 | |
| B | ARG147 | |
| B | GLU152 | |
| B | ASP33 | |
| B | SER35 | |
| B | SER37 | |
| B | GLU42 | |
| B | ASP63 | |
| B | ASP65 | |
| B | ASN67 | |
| B | GLU69 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:12218175, ECO:0000269|PubMed:17498738, ECO:0000269|PubMed:22343722, ECO:0000269|PubMed:26248042, ECO:0000269|PubMed:27974827, ECO:0000269|PubMed:31375679, ECO:0000269|PubMed:8524402, ECO:0007744|PDB:1AUI, ECO:0007744|PDB:1M63, ECO:0007744|PDB:2P6B, ECO:0007744|PDB:3LL8, ECO:0007744|PDB:5C1V, ECO:0007744|PDB:5SVE, ECO:0007744|PDB:6NUC, ECO:0007744|PDB:6NUU, ECO:0007744|PDB:6UUQ |
| Chain | Residue | Details |
| A | ASP90 | |
| A | HIS92 | |
| A | ASP118 | |
| A | ASN150 | |
| A | HIS199 | |
| A | HIS281 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | SITE: Interaction with PxVP motif in substrate => ECO:0000269|PubMed:23468591, ECO:0000269|PubMed:27974827 |
| Chain | Residue | Details |
| A | TRP352 | |
| B | ASN122 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | MOD_RES: N-acetylserine => ECO:0007744|PubMed:22814378 |
| Chain | Residue | Details |
| A | SER2 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | MOD_RES: 3'-nitrotyrosine => ECO:0000250|UniProtKB:P63328 |
| Chain | Residue | Details |
| A | TYR224 |
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 |
