5FTG
Human choline kinase a1 in complex with compound 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1- yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N- dimethyl-pyridin-4-amine (compound 10a)
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE NBR A 1458 |
| Chain | Residue |
| A | ASN305 |
| A | TRP423 |
| A | GLU434 |
| A | PHE435 |
| A | TYR440 |
| A | EDO1466 |
| A | ASP306 |
| A | GLN308 |
| A | TYR333 |
| A | GLU349 |
| A | TYR354 |
| A | GLU357 |
| A | PHE361 |
| A | TRP420 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 1459 |
| Chain | Residue |
| A | THR216 |
| A | GLU217 |
| A | LEU219 |
| A | SER220 |
| A | TRP350 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO A 1460 |
| Chain | Residue |
| A | TYR369 |
| A | GLN374 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 1461 |
| Chain | Residue |
| A | TRP350 |
| A | MET351 |
| A | ARG363 |
| A | HOH2225 |
| A | HOH2238 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 1462 |
| Chain | Residue |
| A | ARG89 |
| A | LEU93 |
| A | PHE449 |
| A | LYS452 |
| A | ARG453 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 1463 |
| Chain | Residue |
| A | ASP80 |
| A | HIS112 |
| A | SER114 |
| A | GLN126 |
| A | SER128 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO A 1464 |
| Chain | Residue |
| A | GLU175 |
| A | LEU179 |
| A | PRO201 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EDO A 1465 |
| Chain | Residue |
| A | LEU293 |
| A | GLU294 |
| A | THR296 |
| A | SER298 |
| A | TYR338 |
| A | PHE412 |
| A | HOH2193 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO A 1466 |
| Chain | Residue |
| A | ASP306 |
| A | GLN308 |
| A | TRP423 |
| A | NBR1458 |
| A | HOH2221 |
| site_id | BC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 1467 |
| Chain | Residue |
| A | TYR352 |
| A | ALA443 |
| A | ASP446 |
| A | ALA447 |
| A | HOH2287 |
| A | HOH2290 |
| site_id | BC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 1468 |
| Chain | Residue |
| A | MET351 |
| A | TYR369 |
| A | HIS417 |
| A | ALA447 |
| A | HIS450 |
| A | GLN451 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 14 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"17007874","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20299452","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2CKP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3G15","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"17007874","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2CKQ","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"34077757","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"34077757","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
