6M4U
Crystal structure of FKBP-FRB T2098L mutant in complex with rapamycin
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003007 | biological_process | heart morphogenesis |
| A | 0003755 | molecular_function | peptidyl-prolyl cis-trans isomerase activity |
| A | 0005160 | molecular_function | transforming growth factor beta receptor binding |
| A | 0005246 | molecular_function | calcium channel regulator activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005527 | molecular_function | macrolide binding |
| A | 0005528 | molecular_function | FK506 binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0006457 | biological_process | protein folding |
| A | 0006458 | biological_process | 'de novo' protein folding |
| A | 0010881 | biological_process | regulation of cardiac muscle contraction by regulation of the release of sequestered calcium ion |
| A | 0014802 | cellular_component | terminal cisterna |
| A | 0014809 | biological_process | regulation of skeletal muscle contraction by regulation of release of sequestered calcium ion |
| A | 0016020 | cellular_component | membrane |
| A | 0016529 | cellular_component | sarcoplasmic reticulum |
| A | 0016853 | molecular_function | isomerase activity |
| A | 0030018 | cellular_component | Z disc |
| A | 0030512 | biological_process | negative regulation of transforming growth factor beta receptor signaling pathway |
| A | 0030547 | molecular_function | signaling receptor inhibitor activity |
| A | 0032880 | biological_process | regulation of protein localization |
| A | 0032926 | biological_process | negative regulation of activin receptor signaling pathway |
| A | 0033017 | cellular_component | sarcoplasmic reticulum membrane |
| A | 0034713 | molecular_function | type I transforming growth factor beta receptor binding |
| A | 0042026 | biological_process | protein refolding |
| A | 0042110 | biological_process | T cell activation |
| A | 0043123 | biological_process | positive regulation of canonical NF-kappaB signal transduction |
| A | 0044325 | molecular_function | transmembrane transporter binding |
| A | 0050776 | biological_process | regulation of immune response |
| A | 0051604 | biological_process | protein maturation |
| A | 0055010 | biological_process | ventricular cardiac muscle tissue morphogenesis |
| A | 0060347 | biological_process | heart trabecula formation |
| A | 0070411 | molecular_function | I-SMAD binding |
| A | 0070697 | molecular_function | activin receptor binding |
| A | 0097435 | biological_process | supramolecular fiber organization |
| A | 0098562 | cellular_component | cytoplasmic side of membrane |
| A | 1902991 | biological_process | regulation of amyloid precursor protein catabolic process |
| A | 1990000 | biological_process | amyloid fibril formation |
| A | 1990425 | cellular_component | ryanodine receptor complex |
| B | 0044877 | molecular_function | protein-containing complex binding |
| E | 0003007 | biological_process | heart morphogenesis |
| E | 0003755 | molecular_function | peptidyl-prolyl cis-trans isomerase activity |
| E | 0005160 | molecular_function | transforming growth factor beta receptor binding |
| E | 0005246 | molecular_function | calcium channel regulator activity |
| E | 0005515 | molecular_function | protein binding |
| E | 0005527 | molecular_function | macrolide binding |
| E | 0005528 | molecular_function | FK506 binding |
| E | 0005737 | cellular_component | cytoplasm |
| E | 0005829 | cellular_component | cytosol |
| E | 0006457 | biological_process | protein folding |
| E | 0006458 | biological_process | 'de novo' protein folding |
| E | 0010881 | biological_process | regulation of cardiac muscle contraction by regulation of the release of sequestered calcium ion |
| E | 0014802 | cellular_component | terminal cisterna |
| E | 0014809 | biological_process | regulation of skeletal muscle contraction by regulation of release of sequestered calcium ion |
| E | 0016020 | cellular_component | membrane |
| E | 0016529 | cellular_component | sarcoplasmic reticulum |
| E | 0016853 | molecular_function | isomerase activity |
| E | 0030018 | cellular_component | Z disc |
| E | 0030512 | biological_process | negative regulation of transforming growth factor beta receptor signaling pathway |
| E | 0030547 | molecular_function | signaling receptor inhibitor activity |
| E | 0032880 | biological_process | regulation of protein localization |
| E | 0032926 | biological_process | negative regulation of activin receptor signaling pathway |
| E | 0033017 | cellular_component | sarcoplasmic reticulum membrane |
| E | 0034713 | molecular_function | type I transforming growth factor beta receptor binding |
| E | 0042026 | biological_process | protein refolding |
| E | 0042110 | biological_process | T cell activation |
| E | 0043123 | biological_process | positive regulation of canonical NF-kappaB signal transduction |
| E | 0044325 | molecular_function | transmembrane transporter binding |
| E | 0050776 | biological_process | regulation of immune response |
| E | 0051604 | biological_process | protein maturation |
| E | 0055010 | biological_process | ventricular cardiac muscle tissue morphogenesis |
| E | 0060347 | biological_process | heart trabecula formation |
| E | 0070411 | molecular_function | I-SMAD binding |
| E | 0070697 | molecular_function | activin receptor binding |
| E | 0097435 | biological_process | supramolecular fiber organization |
| E | 0098562 | cellular_component | cytoplasmic side of membrane |
| E | 1902991 | biological_process | regulation of amyloid precursor protein catabolic process |
| E | 1990000 | biological_process | amyloid fibril formation |
| E | 1990425 | cellular_component | ryanodine receptor complex |
| F | 0044877 | molecular_function | protein-containing complex binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 19 |
| Details | binding site for residue RAP A 201 |
| Chain | Residue |
| A | TYR27 |
| A | TYR83 |
| A | PHE100 |
| A | HOH309 |
| A | HOH323 |
| B | LEU2031 |
| B | SER2035 |
| B | LEU2098 |
| B | TYR2105 |
| B | PHE2108 |
| F | LYS2113 |
| A | PHE37 |
| A | ASP38 |
| A | PHE47 |
| A | GLN54 |
| A | GLU55 |
| A | VAL56 |
| A | ILE57 |
| A | TRP60 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 202 |
| Chain | Residue |
| A | GLU55 |
| B | ARG2109 |
| F | LYS2113 |
| F | HOH2346 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue ZN A 203 |
| Chain | Residue |
| A | GLU108 |
| A | CL205 |
| E | LYS48 |
| E | GLU108 |
| E | CL203 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | binding site for residue ZN A 204 |
| Chain | Residue |
| A | LYS48 |
| A | GLU108 |
| A | CL206 |
| E | GLU108 |
| E | CL204 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | binding site for residue CL A 205 |
| Chain | Residue |
| A | GLU108 |
| A | ZN203 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | binding site for residue CL A 206 |
| Chain | Residue |
| A | LYS48 |
| A | LYS106 |
| A | ZN204 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 2201 |
| Chain | Residue |
| B | HIS2028 |
| B | GLU2032 |
| B | CL2207 |
| F | GLU2025 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 2202 |
| Chain | Residue |
| B | ASP2077 |
| B | HIS2106 |
| B | ARG2110 |
| B | HOH2301 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue ZN B 2203 |
| Chain | Residue |
| B | HIS2024 |
| B | LYS2113 |
| B | HOH2340 |
| B | HOH2347 |
| B | HOH2350 |
| site_id | AD1 |
| Number of Residues | 2 |
| Details | binding site for residue ZN B 2204 |
| Chain | Residue |
| B | GLU2083 |
| B | HOH2328 |
| site_id | AD2 |
| Number of Residues | 2 |
| Details | binding site for residue ZN B 2205 |
| Chain | Residue |
| B | HIS2106 |
| B | HOH2335 |
| site_id | AD3 |
| Number of Residues | 7 |
| Details | binding site for residue CL B 2206 |
| Chain | Residue |
| B | GLU2025 |
| B | HIS2028 |
| B | SER2112 |
| B | LYS2113 |
| F | ZN2201 |
| F | HIS2028 |
| F | GLU2032 |
| site_id | AD4 |
| Number of Residues | 7 |
| Details | binding site for residue CL B 2207 |
| Chain | Residue |
| B | HIS2028 |
| B | GLU2032 |
| B | ZN2201 |
| F | HIS2024 |
| F | GLU2025 |
| F | SER2112 |
| F | LYS2113 |
| site_id | AD5 |
| Number of Residues | 4 |
| Details | binding site for residue ZN F 2201 |
| Chain | Residue |
| B | GLU2025 |
| B | CL2206 |
| F | HIS2028 |
| F | GLU2032 |
| site_id | AD6 |
| Number of Residues | 3 |
| Details | binding site for residue ZN F 2202 |
| Chain | Residue |
| B | GLU2029 |
| B | HOH2339 |
| F | GLY2019 |
| site_id | AD7 |
| Number of Residues | 25 |
| Details | binding site for residue RAP E 201 |
| Chain | Residue |
| F | TYR2105 |
| F | PHE2108 |
| B | LYS2113 |
| E | TYR27 |
| E | PHE37 |
| E | ASP38 |
| E | PHE47 |
| E | GLN54 |
| E | GLU55 |
| E | VAL56 |
| E | ILE57 |
| E | TRP60 |
| E | TYR83 |
| E | ILE92 |
| E | HOH316 |
| E | HOH327 |
| E | HOH331 |
| E | HOH338 |
| E | HOH350 |
| F | LEU2031 |
| F | GLU2032 |
| F | SER2035 |
| F | PHE2039 |
| F | LEU2098 |
| F | ASP2102 |
| site_id | AD8 |
| Number of Residues | 2 |
| Details | binding site for residue ZN E 202 |
| Chain | Residue |
| E | HIS95 |
| E | HOH357 |
| site_id | AD9 |
| Number of Residues | 2 |
| Details | binding site for residue CL E 203 |
| Chain | Residue |
| A | ZN203 |
| E | LYS48 |
| site_id | AE1 |
| Number of Residues | 2 |
| Details | binding site for residue CL E 204 |
| Chain | Residue |
| A | ZN204 |
| E | LEU107 |
| site_id | AE2 |
| Number of Residues | 3 |
| Details | binding site for residue GOL F 2203 |
| Chain | Residue |
| F | GLU2080 |
| F | GLU2083 |
| F | HOH2310 |
| site_id | AE3 |
| Number of Residues | 4 |
| Details | binding site for residue ZN F 2204 |
| Chain | Residue |
| F | HIS2024 |
| F | CL2207 |
| F | HOH2344 |
| F | HOH2352 |
| site_id | AE4 |
| Number of Residues | 6 |
| Details | binding site for residue ZN F 2205 |
| Chain | Residue |
| F | ARG2076 |
| F | ASP2077 |
| F | HIS2106 |
| F | ARG2110 |
| F | HOH2324 |
| F | HOH2327 |
| site_id | AE5 |
| Number of Residues | 3 |
| Details | binding site for residue ZN F 2206 |
| Chain | Residue |
| F | GLU2052 |
| F | GLN2082 |
| F | HOH2363 |
| site_id | AE6 |
| Number of Residues | 3 |
| Details | binding site for residue CL F 2207 |
| Chain | Residue |
| F | TRP2023 |
| F | HIS2024 |
| F | ZN2204 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 176 |
| Details | Domain: {"description":"PPIase FKBP-type","evidences":[{"source":"PROSITE-ProRule","id":"PRU00277","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"N6-succinyllysine; alternate","evidences":[{"source":"UniProtKB","id":"P26883","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)","evidences":[{"source":"PubMed","id":"37979583","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 6 |
| Details | M-CSA 362 |
| Chain | Residue | Details |
| A | TYR27 | electrostatic destabiliser, steric role |
| A | PHE37 | electrostatic destabiliser, polar/non-polar interaction, steric role |
| A | ASP38 | electrostatic stabiliser, steric role |
| A | ILE57 | electrostatic stabiliser, steric role |
| A | TYR83 | electrostatic stabiliser, steric role |
| A | PHE100 | electrostatic destabiliser, polar/non-polar interaction, steric role |
| site_id | MCSA2 |
| Number of Residues | 6 |
| Details | M-CSA 362 |
| Chain | Residue | Details |
