5WE8
Crystal structure of WNK1 in complex with N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide (compound 8)
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | binding site for residue MN A 501 |
| Chain | Residue |
| A | ASN354 |
| A | ASP368 |
| A | ANP502 |
| A | HOH655 |
| A | HOH680 |
| site_id | AC2 |
| Number of Residues | 19 |
| Details | binding site for residue ANP A 502 |
| Chain | Residue |
| A | VAL235 |
| A | ALA248 |
| A | THR301 |
| A | GLU302 |
| A | LEU303 |
| A | MET304 |
| A | LYS351 |
| A | ASN354 |
| A | ASP368 |
| A | MN501 |
| A | HOH612 |
| A | HOH620 |
| A | HOH626 |
| A | HOH648 |
| A | HOH655 |
| A | GLY228 |
| A | GLY230 |
| A | SER231 |
| A | LYS233 |
| site_id | AC3 |
| Number of Residues | 12 |
| Details | binding site for residue A7Y A 503 |
| Chain | Residue |
| A | LEU252 |
| A | PHE265 |
| A | GLU268 |
| A | LEU272 |
| A | VAL281 |
| A | LEU299 |
| A | ILE345 |
| A | ASP368 |
| A | LEU369 |
| A | GLY370 |
| A | ALA372 |
| A | HOH698 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | binding site for residue MN B 501 |
| Chain | Residue |
| B | ASN354 |
| B | ASP368 |
| B | ANP502 |
| B | HOH602 |
| B | HOH660 |
| site_id | AC5 |
| Number of Residues | 13 |
| Details | binding site for residue ANP B 502 |
| Chain | Residue |
| B | GLY228 |
| B | GLY230 |
| B | LYS233 |
| B | THR301 |
| B | GLU302 |
| B | LEU303 |
| B | MET304 |
| B | LYS351 |
| B | ASP368 |
| B | MN501 |
| B | HOH602 |
| B | HOH650 |
| B | HOH660 |
| site_id | AC6 |
| Number of Residues | 15 |
| Details | binding site for residue A7Y B 503 |
| Chain | Residue |
| A | VAL383 |
| B | PHE265 |
| B | GLU268 |
| B | MET271 |
| B | LEU272 |
| B | VAL281 |
| B | PHE283 |
| B | LEU299 |
| B | ILE345 |
| B | ASP368 |
| B | LEU369 |
| B | GLY370 |
| B | ALA372 |
| B | LEU374 |
| B | HOH665 |
Functional Information from PROSITE/UniProt
| site_id | PS00108 |
| Number of Residues | 13 |
| Details | PROTEIN_KINASE_ST Serine/Threonine protein kinases active-site signature. IiHrDLKcdNIFI |
| Chain | Residue | Details |
| A | ILE345-ILE357 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"16263722","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 10 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"27712055","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"28771350","evidenceCode":"ECO:0000305"},{"source":"PDB","id":"5TF9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5WDY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5WE8","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 8 |
| Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"Q9JIH7","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphoserine; by autocatalysis","evidences":[{"source":"PubMed","id":"31656913","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphoserine; by autocatalysis","evidences":[{"source":"PubMed","id":"15883153","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16263722","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16832045","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17190791","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"31656913","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"34289367","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
