4RWS
Crystal structure of CXCR4 and viral chemokine antagonist vMIP-II complex (PSI Community Target)
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0003796 | molecular_function | lysozyme activity |
A | 0003824 | molecular_function | catalytic activity |
A | 0004930 | molecular_function | G protein-coupled receptor activity |
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 | 0019955 | molecular_function | cytokine binding |
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 |
C | 0005125 | molecular_function | cytokine activity |
C | 0005515 | molecular_function | protein binding |
C | 0005576 | cellular_component | extracellular region |
C | 0005615 | cellular_component | extracellular space |
C | 0006955 | biological_process | immune response |
C | 0007165 | biological_process | signal transduction |
C | 0008009 | molecular_function | chemokine activity |
C | 0032991 | cellular_component | protein-containing complex |
C | 0045236 | molecular_function | CXCR chemokine receptor binding |
C | 0060326 | biological_process | cell chemotaxis |
Functional Information from PROSITE/UniProt
site_id | PS00237 |
Number of Residues | 17 |
Details | G_PROTEIN_RECEP_F1_1 G-protein coupled receptors family 1 signature. SSVwILAFISLDRYLaI |
Chain | Residue | Details |
A | SER122-ILE138 |
site_id | PS00472 |
Number of Residues | 42 |
Details | SMALL_CYTOKINES_CC Small cytokines (intercrine/chemokine) C-C subfamily signature. CCLgyqkrp..LpqvlLssWyptsql..Cskp.GVIFltkrgrqv.CA |
Chain | Residue | Details |
C | CYS11-ALA52 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 1 |
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 | 1 |
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 | 2 |
Details | Binding site: {"evidences":[{"source":"PubMed","id":"8266098","evidenceCode":"ECO:0000269"}]} |
Chain | Residue | Details |
site_id | SWS_FT_FI4 |
Number of Residues | 2 |
Details | Binding site: {"evidences":[{"source":"PubMed","id":"7831309","evidenceCode":"ECO:0000303"}]} |
Chain | Residue | Details |
site_id | SWS_FT_FI5 |
Number of Residues | 24 |
Details | Transmembrane: {"description":"Helical; Name=1","evidences":[{"source":"PubMed","id":"20929726","evidenceCode":"ECO:0000269"}]} |
Chain | Residue | Details |
site_id | SWS_FT_FI6 |
Number of Residues | 21 |
Details | Transmembrane: {"description":"Helical; Name=2","evidences":[{"source":"PubMed","id":"20929726","evidenceCode":"ECO:0000269"}]} |
Chain | Residue | Details |
site_id | SWS_FT_FI7 |
Number of Residues | 50 |
Details | Topological domain: {"description":"Extracellular","evidences":[{"source":"PubMed","id":"20929726","evidenceCode":"ECO:0000269"}]} |
Chain | Residue | Details |
site_id | SWS_FT_FI8 |
Number of Residues | 19 |
Details | Transmembrane: {"description":"Helical; Name=3","evidences":[{"source":"PubMed","id":"20929726","evidenceCode":"ECO:0000269"}]} |
Chain | Residue | Details |
site_id | SWS_FT_FI9 |
Number of Residues | 23 |
Details | Topological domain: {"description":"Cytoplasmic","evidences":[{"source":"PubMed","id":"20929726","evidenceCode":"ECO:0000269"}]} |
Chain | Residue | Details |
site_id | SWS_FT_FI10 |
Number of Residues | 19 |
Details | Transmembrane: {"description":"Helical; Name=4","evidences":[{"source":"PubMed","id":"20929726","evidenceCode":"ECO:0000269"}]} |
Chain | Residue | Details |
site_id | SWS_FT_FI11 |
Number of Residues | 20 |
Details | Transmembrane: {"description":"Helical; Name=5","evidences":[{"source":"PubMed","id":"20929726","evidenceCode":"ECO:0000269"}]} |
Chain | Residue | Details |
site_id | SWS_FT_FI12 |
Number of Residues | 19 |
Details | Transmembrane: {"description":"Helical; Name=6","evidences":[{"source":"PubMed","id":"20929726","evidenceCode":"ECO:0000269"}]} |
Chain | Residue | Details |
site_id | SWS_FT_FI13 |
Number of Residues | 19 |
Details | Transmembrane: {"description":"Helical; Name=7","evidences":[{"source":"PubMed","id":"20929726","evidenceCode":"ECO:0000269"}]} |
Chain | Residue | Details |
site_id | SWS_FT_FI14 |
Number of Residues | 3 |
Details | Region: {"description":"Chemokine binding","evidences":[{"source":"PubMed","id":"20929726","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10825158","evidenceCode":"ECO:0000305"}]} |
Chain | Residue | Details |
site_id | SWS_FT_FI15 |
Number of Residues | 4 |
Details | Region: {"description":"Chemokine binding"} |
Chain | Residue | Details |
site_id | SWS_FT_FI16 |
Number of Residues | 12 |
Details | Region: {"description":"Involved in dimerization; when bound to chemokine"} |
Chain | Residue | Details |
site_id | SWS_FT_FI17 |
Number of Residues | 4 |
Details | Region: {"description":"Chemokine binding, important for signaling and HIV-1 coreceptor activity"} |
Chain | Residue | Details |
site_id | SWS_FT_FI18 |
Number of Residues | 21 |
Details | Region: {"description":"Involved in dimerization"} |
Chain | Residue | Details |
site_id | SWS_FT_FI19 |
Number of Residues | 2 |
Details | Motif: {"description":"Important for signaling"} |
Chain | Residue | Details |
site_id | SWS_FT_FI20 |
Number of Residues | 1 |
Details | Site: {"description":"Chemokine binding"} |
Chain | Residue | Details |
site_id | SWS_FT_FI21 |
Number of Residues | 1 |
Details | Site: {"description":"Chemokine binding","evidences":[{"source":"PubMed","id":"20929726","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10825158","evidenceCode":"ECO:0000305"}]} |
Chain | Residue | Details |
site_id | SWS_FT_FI22 |
Number of Residues | 1 |
Details | Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]} |
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 |