7G2J
Crystal Structure of rat Autotaxin in complex with 2-chloro-5-(5-cyclopropyloxy-2-fluorophenyl)-4-(1H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)benzonitrile, i.e. SMILES C1C(C1)Oc1ccc(F)c(c1)c1cc(C#N)c(Cl)cc1OCC1=NNc2ncccc12 with IC50=0.0201566 microM
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0001953 | biological_process | negative regulation of cell-matrix adhesion |
| A | 0003676 | molecular_function | nucleic acid binding |
| A | 0004528 | molecular_function | phosphodiesterase I activity |
| A | 0004622 | molecular_function | phosphatidylcholine lysophospholipase activity |
| A | 0004630 | molecular_function | phospholipase D activity |
| A | 0005044 | molecular_function | scavenger receptor activity |
| A | 0005509 | molecular_function | calcium ion binding |
| A | 0005576 | cellular_component | extracellular region |
| A | 0005615 | cellular_component | extracellular space |
| A | 0006629 | biological_process | lipid metabolic process |
| A | 0006644 | biological_process | phospholipid metabolic process |
| A | 0006935 | biological_process | chemotaxis |
| A | 0006955 | biological_process | immune response |
| A | 0008270 | molecular_function | zinc ion binding |
| A | 0008284 | biological_process | positive regulation of cell population proliferation |
| A | 0009395 | biological_process | phospholipid catabolic process |
| A | 0010634 | biological_process | positive regulation of epithelial cell migration |
| A | 0016020 | cellular_component | membrane |
| A | 0016042 | biological_process | lipid catabolic process |
| A | 0016192 | biological_process | vesicle-mediated transport |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0030149 | biological_process | sphingolipid catabolic process |
| A | 0030247 | molecular_function | polysaccharide binding |
| A | 0030334 | biological_process | regulation of cell migration |
| A | 0034638 | biological_process | phosphatidylcholine catabolic process |
| A | 0044849 | biological_process | estrous cycle |
| A | 0046872 | molecular_function | metal ion binding |
| A | 0047391 | molecular_function | alkylglycerophosphoethanolamine phosphodiesterase activity |
| A | 0048714 | biological_process | positive regulation of oligodendrocyte differentiation |
| A | 0051894 | biological_process | positive regulation of focal adhesion assembly |
| A | 0060326 | biological_process | cell chemotaxis |
| A | 0071276 | biological_process | cellular response to cadmium ion |
| A | 0071392 | biological_process | cellular response to estradiol stimulus |
| A | 1900026 | biological_process | positive regulation of substrate adhesion-dependent cell spreading |
| A | 1903165 | biological_process | response to polycyclic arene |
| A | 2000394 | biological_process | positive regulation of lamellipodium morphogenesis |
Functional Information from PROSITE/UniProt
| site_id | PS00524 |
| Number of Residues | 21 |
| Details | SMB_1 Somatomedin B domain (SMB) signature. CrCdnlCksyss.CChDFdelC |
| Chain | Residue | Details |
| A | CYS73-CYS93 | |
| A | CYS117-CYS137 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 43 |
| Details | Domain: {"description":"SMB 1","evidences":[{"source":"PROSITE-ProRule","id":"PRU00350","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 44 |
| Details | Domain: {"description":"SMB 2","evidences":[{"source":"PROSITE-ProRule","id":"PRU00350","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 21 |
| Details | Region: {"description":"Required for secretion","evidences":[{"source":"UniProtKB","id":"Q9R1E6","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Motif: {"description":"Cell attachment site","evidences":[{"evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | Active site: {"description":"Nucleophile","evidences":[{"source":"PubMed","id":"12633853","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27268273","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 6 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"21240271","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27075612","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27268273","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27660691","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2XR9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2XRG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5DLT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5DLV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5DLW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IJQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IJS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5L0B","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5L0E","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5L0K","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5LQQ","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"Q9R1E6","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"21240271","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27075612","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27268273","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27660691","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2XRG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5DLT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5DLV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IJS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5L0B","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5L0E","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5L0K","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5LQQ","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI9 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"21240271","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27075612","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27268273","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2XR9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2XRG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5DLT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5DLV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5DLW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IJQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5L0K","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5LQQ","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI10 |
| Number of Residues | 3 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"21240271","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27075612","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27268273","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2XR9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2XRG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5DLT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5DLV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5DLW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IJQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IJS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5L0K","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5LQQ","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI11 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"21240271","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27075612","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"27268273","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2XR9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2XRG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5DLT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5DLV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5DLW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IJQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5IJS","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5L0K","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI12 |
| Number of Residues | 1 |
| Details | Site: {"description":"Essential for catalytic activity","evidences":[{"source":"UniProtKB","id":"Q9R1E6","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI13 |
| Number of Residues | 4 |
| Details | Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI14 |
| Number of Residues | 1 |
| Details | Glycosylation: {"description":"N-linked (GlcNAc...) asparagine","evidences":[{"source":"PubMed","id":"21240271","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
