5EQY
Crystal structure of choline kinase alpha-1 bound by 5-[(4-methyl-1,4-diazepan-1-yl)methyl]-2-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]benzenecarbonitrile (compound 65)
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 10 |
| Details | binding site for residue 5RA A 501 |
| Chain | Residue |
| A | ASP306 |
| A | PHE435 |
| A | GLN308 |
| A | TYR333 |
| A | GLU349 |
| A | TYR354 |
| A | PHE361 |
| A | TRP420 |
| A | TRP423 |
| A | GLU434 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | binding site for residue 5RA B 501 |
| Chain | Residue |
| B | ASP306 |
| B | GLN308 |
| B | TYR333 |
| B | GLU349 |
| B | TYR354 |
| B | TRP420 |
| B | ILE433 |
| B | GLU434 |
| B | PHE435 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:17007874, ECO:0000269|PubMed:20299452, ECO:0007744|PDB:2CKP, ECO:0007744|PDB:3G15 |
| Chain | Residue | Details |
| A | ARG117 | |
| A | ARG146 | |
| A | GLN207 | |
| A | ASP330 | |
| B | ARG117 | |
| B | ARG146 | |
| B | GLN207 | |
| B | ASP330 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:17007874, ECO:0007744|PDB:2CKQ |
| Chain | Residue | Details |
| A | GLY119 | |
| B | GLY119 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000305 |
| Chain | Residue | Details |
| A | GLN308 | |
| B | GLN308 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | MOD_RES: N6-acetyllysine => ECO:0000269|PubMed:34077757 |
| Chain | Residue | Details |
| A | LYS247 | |
| B | LYS247 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphoserine => ECO:0000269|PubMed:34077757 |
| Chain | Residue | Details |
| A | SER279 | |
| B | SER279 |
