4K5Y
Crystal structure of human corticotropin-releasing factor receptor 1 (CRF1R) in complex with the antagonist CP-376395
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003796 | molecular_function | lysozyme activity |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004888 | molecular_function | transmembrane signaling receptor activity |
| A | 0004930 | molecular_function | G protein-coupled receptor activity |
| A | 0007166 | biological_process | cell surface receptor signaling pathway |
| A | 0007186 | biological_process | G protein-coupled receptor signaling pathway |
| A | 0009253 | biological_process | peptidoglycan catabolic process |
| A | 0016020 | cellular_component | membrane |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
| A | 0016998 | biological_process | cell wall macromolecule catabolic process |
| A | 0030430 | cellular_component | host cell cytoplasm |
| A | 0031640 | biological_process | killing of cells of another organism |
| A | 0042742 | biological_process | defense response to bacterium |
| A | 0044659 | biological_process | viral release from host cell by cytolysis |
| B | 0003796 | molecular_function | lysozyme activity |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0004888 | molecular_function | transmembrane signaling receptor activity |
| B | 0004930 | molecular_function | G protein-coupled receptor activity |
| B | 0007166 | biological_process | cell surface receptor signaling pathway |
| B | 0007186 | biological_process | G protein-coupled receptor signaling pathway |
| B | 0009253 | biological_process | peptidoglycan catabolic process |
| B | 0016020 | cellular_component | membrane |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
| B | 0016998 | biological_process | cell wall macromolecule catabolic process |
| B | 0030430 | cellular_component | host cell cytoplasm |
| B | 0031640 | biological_process | killing of cells of another organism |
| B | 0042742 | biological_process | defense response to bacterium |
| B | 0044659 | biological_process | viral release from host cell by cytolysis |
| C | 0003796 | molecular_function | lysozyme activity |
| C | 0003824 | molecular_function | catalytic activity |
| C | 0004888 | molecular_function | transmembrane signaling receptor activity |
| C | 0004930 | molecular_function | G protein-coupled receptor activity |
| C | 0007166 | biological_process | cell surface receptor signaling pathway |
| C | 0007186 | biological_process | G protein-coupled receptor signaling pathway |
| C | 0009253 | biological_process | peptidoglycan catabolic process |
| C | 0016020 | cellular_component | membrane |
| C | 0016787 | molecular_function | hydrolase activity |
| C | 0016798 | molecular_function | hydrolase activity, acting on glycosyl bonds |
| C | 0016998 | biological_process | cell wall macromolecule catabolic process |
| C | 0030430 | cellular_component | host cell cytoplasm |
| C | 0031640 | biological_process | killing of cells of another organism |
| C | 0042742 | biological_process | defense response to bacterium |
| C | 0044659 | biological_process | viral release from host cell by cytolysis |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE 1Q5 A 401 |
| Chain | Residue |
| A | PHE203 |
| A | MET206 |
| A | GLY210 |
| A | LEU280 |
| A | ASN283 |
| A | THR316 |
| A | TYR327 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE OLA A 501 |
| Chain | Residue |
| B | ILE248 |
| A | ILE234 |
| A | GLY237 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE OLC A 502 |
| Chain | Residue |
| A | PHE357 |
| A | CYS364 |
| A | ASN367 |
| C | LEU135 |
| C | VAL139 |
| C | ALA167 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE OLC A 503 |
| Chain | Residue |
| A | ASN1144 |
| B | ARG189 |
| B | TYR197 |
| B | ILE243 |
| B | TRP259 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 504 |
| Chain | Residue |
| A | PHE1114 |
| A | THR1115 |
| A | ASN1116 |
| A | SER1117 |
| B | ARG1137 |
| site_id | AC6 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE 1Q5 B 401 |
| Chain | Residue |
| B | PHE162 |
| B | PHE203 |
| B | MET206 |
| B | GLY210 |
| B | LEU280 |
| B | ASN283 |
| B | THR316 |
| B | LEU320 |
| B | TYR327 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE OLC B 501 |
| Chain | Residue |
| A | VAL244 |
| A | ILE248 |
| B | THR215 |
| B | ILE234 |
| B | GLY237 |
| B | VAL238 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PGW B 502 |
| Chain | Residue |
| B | PHE138 |
| B | ILE153 |
| B | ASN157 |
| B | ARG225 |
| B | ALA228 |
| B | ILE232 |
| B | TRP236 |
| site_id | AC9 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE PGW B 503 |
| Chain | Residue |
| B | CYS128 |
| B | VAL136 |
| B | LEU140 |
| C | LEU142 |
| C | ILE147 |
| C | ALA156 |
| C | ASN157 |
| C | ALA160 |
| C | LEU164 |
| C | ILE232 |
| site_id | BC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE PGW B 504 |
| Chain | Residue |
| B | HIS199 |
| B | TYR270 |
| B | GLN273 |
| B | MET276 |
| B | ALA277 |
| B | LEU280 |
| B | PHE284 |
| B | TYR327 |
| site_id | BC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE 1PE B 505 |
| Chain | Residue |
| A | PHE1104 |
| B | ILE1029 |
| B | GLY1030 |
| B | PHE1104 |
| B | MET1106 |
| site_id | BC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 B 506 |
| Chain | Residue |
| A | ARG1137 |
| B | PHE1114 |
| B | THR1115 |
| B | ASN1116 |
| B | SER1117 |
| B | ASN1132 |
| site_id | BC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 507 |
| Chain | Residue |
| A | SER1136 |
| A | ARG1137 |
| B | SER1136 |
| B | ARG1137 |
| site_id | BC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 B 508 |
| Chain | Residue |
| A | ARG189 |
| B | ASN1144 |
| B | ARG1148 |
| site_id | BC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE 1Q5 C 401 |
| Chain | Residue |
| C | PHE203 |
| C | MET206 |
| C | GLY210 |
| C | ASN283 |
| C | THR316 |
| C | LEU320 |
| C | LEU323 |
| C | TYR327 |
| site_id | BC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE OLA C 501 |
| Chain | Residue |
| B | PHE358 |
| B | PHE365 |
| C | CYS233 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton donor/acceptor","evidences":[{"source":"HAMAP-Rule","id":"MF_04110","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"3382407","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"7831309","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8266098","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton donor/acceptor","evidences":[{"source":"HAMAP-Rule","id":"MF_04110","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"1892846","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"3382407","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"7831309","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8266098","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"8266098","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"7831309","evidenceCode":"ECO:0000303"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 48 |
| Details | Topological domain: {"description":"Cytoplasmic"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 72 |
| Details | Transmembrane: {"description":"Helical; Name=2"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 78 |
| Details | Topological domain: {"description":"Extracellular"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 84 |
| Details | Transmembrane: {"description":"Helical; Name=3"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI9 |
| Number of Residues | 81 |
| Details | Transmembrane: {"description":"Helical; Name=4"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI10 |
| Number of Residues | 75 |
| Details | Transmembrane: {"description":"Helical; Name=5"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI11 |
| Number of Residues | 48 |
| Details | Transmembrane: {"description":"Helical; Name=6"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI12 |
| Number of Residues | 29 |
| Details | Transmembrane: {"description":"Helical; Name=7"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI13 |
| Number of Residues | 30 |
| Details | Region: {"description":"Important for antagonist binding"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI14 |
| Number of Residues | 3 |
| Details | Modified residue: {"description":"Phosphoserine; by PKA","evidences":[{"source":"PubMed","id":"14657255","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 2 |
| Details | M-CSA 921 |
| Chain | Residue | Details |
| A | GLU1011 | proton shuttle (general acid/base) |
| A | ASP1020 | covalent catalysis |
| site_id | MCSA2 |
| Number of Residues | 2 |
| Details | M-CSA 921 |
| Chain | Residue | Details |
| B | GLU1011 | proton shuttle (general acid/base) |
| B | ASP1020 | covalent catalysis |
| site_id | MCSA3 |
| Number of Residues | |
| Details | M-CSA 921 |
| Chain | Residue | Details |
