6TZ7
Crystal Structure of Aspergillus fumigatus Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus)
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 | 0000747 | biological_process | conjugation with cellular fusion |
| B | 0004723 | molecular_function | calcium-dependent protein serine/threonine phosphatase activity |
| B | 0005509 | molecular_function | calcium ion binding |
| B | 0005955 | cellular_component | calcineurin complex |
| B | 0006873 | biological_process | intracellular monoatomic ion homeostasis |
| B | 0008597 | molecular_function | calcium-dependent protein serine/threonine phosphatase regulator activity |
| B | 0019902 | molecular_function | phosphatase binding |
| B | 0046872 | molecular_function | metal ion binding |
| B | 0050801 | biological_process | monoatomic ion homeostasis |
| B | 0071444 | biological_process | cellular response to pheromone |
| B | 0097720 | biological_process | calcineurin-mediated signaling |
| C | 0003755 | molecular_function | peptidyl-prolyl cis-trans isomerase activity |
| C | 0005634 | cellular_component | nucleus |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005829 | cellular_component | cytosol |
| C | 0016853 | molecular_function | isomerase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | binding site for residue ZN A 401 |
| Chain | Residue |
| A | ASP116 |
| A | ASN148 |
| A | HIS197 |
| A | HIS279 |
| A | FE402 |
| A | PO4403 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue FE A 402 |
| Chain | Residue |
| A | ZN401 |
| A | PO4403 |
| A | ASP88 |
| A | HIS90 |
| A | ASP116 |
| site_id | AC3 |
| Number of Residues | 10 |
| Details | binding site for residue PO4 A 403 |
| Chain | Residue |
| A | HIS90 |
| A | ASP116 |
| A | ARG120 |
| A | ASN148 |
| A | HIS149 |
| A | ARG252 |
| A | HIS279 |
| A | ZN401 |
| A | FE402 |
| A | HOH519 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 404 |
| Chain | Residue |
| A | ASP27 |
| A | TRP31 |
| A | GLU57 |
| A | GLN58 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 405 |
| Chain | Residue |
| A | LEU204 |
| A | ALA262 |
| A | PHE266 |
| A | HOH506 |
| A | HOH541 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue CA B 201 |
| Chain | Residue |
| B | ASP122 |
| B | ASP124 |
| B | ASP126 |
| B | TYR128 |
| B | GLU133 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue CA B 202 |
| Chain | Residue |
| B | ASP163 |
| B | ASP165 |
| B | ASP167 |
| B | LYS169 |
| B | GLU174 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | binding site for residue CA B 203 |
| Chain | Residue |
| B | ASP85 |
| B | ASP87 |
| B | ASP91 |
| B | GLU96 |
| site_id | AC9 |
| Number of Residues | 22 |
| Details | binding site for residue FK5 C 201 |
| Chain | Residue |
| A | TRP350 |
| A | SER351 |
| A | PRO353 |
| A | PHE354 |
| A | GLU357 |
| A | HOH552 |
| B | MET141 |
| B | VAL142 |
| B | ASN145 |
| C | TYR27 |
| C | PHE37 |
| C | ASP38 |
| C | ARG43 |
| C | PHE47 |
| C | ARG55 |
| C | VAL56 |
| C | ILE57 |
| C | TRP60 |
| C | GLY82 |
| C | TYR83 |
| C | PHE100 |
| C | HOH305 |
Functional Information from PROSITE/UniProt
| site_id | PS00018 |
| Number of Residues | 13 |
| Details | EF_HAND_1 EF-hand calcium-binding domain. DKDSSGTIDrdEF |
| Chain | Residue | Details |
| B | ASP53-PHE65 | |
| B | ASP85-PHE97 | |
| B | ASP122-LEU134 | |
| B | ASP163-PHE175 |
| site_id | PS00125 |
| Number of Residues | 6 |
| Details | SER_THR_PHOSPHATASE Serine/threonine specific protein phosphatases signature. LRGNHE |
| Chain | Residue | Details |
| A | LEU145-GLU150 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: Proton donor => ECO:0000250 |
| Chain | Residue | Details |
| A | HIS149 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000250 |
| Chain | Residue | Details |
| A | ASP88 | |
| A | HIS90 | |
| A | ASP116 | |
| A | ASN148 | |
| A | HIS197 | |
| A | HIS279 |
