5EQE
Crystal structure of choline kinase alpha-1 bound by [4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine (compound 11)
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | binding site for residue 5R8 A 501 |
| Chain | Residue |
| A | ASP306 |
| A | GLN308 |
| A | TYR354 |
| A | TRP420 |
| A | PHE435 |
| A | TYR440 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | binding site for residue 5R8 B 501 |
| Chain | Residue |
| B | TYR354 |
| B | TRP420 |
| B | TRP423 |
| B | ILE433 |
| B | TYR437 |
| B | TYR440 |
| B | ASP306 |
| B | GLN308 |
| B | TYR333 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 28 |
| 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 | 4 |
| 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 | 2 |
| Details | Binding site: {"evidences":[{"evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| 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 | 2 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"34077757","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
