4WVL
Structure-Guided DOT1L Probe Optimization by Label-Free Ligand Displacement
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 14 |
| Details | binding site for residue 3US A 401 |
| Chain | Residue |
| A | ASP161 |
| A | ASP222 |
| A | PHE223 |
| A | ASN241 |
| A | PHE245 |
| A | HOH529 |
| A | LEU162 |
| A | GLY163 |
| A | SER164 |
| A | GLY165 |
| A | VAL169 |
| A | GLU186 |
| A | LYS187 |
| A | GLY221 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 402 |
| Chain | Residue |
| A | ARG203 |
| A | LYS207 |
| A | HIS213 |
| A | HOH567 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 A 403 |
| Chain | Residue |
| A | HIS117 |
| A | GLU201 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 404 |
| Chain | Residue |
| A | HIS251 |
| A | LYS254 |
| A | ARG343 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue GOL A 405 |
| Chain | Residue |
| A | VAL160 |
| A | TYR183 |
| A | ARG231 |
| A | THR235 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 406 |
| Chain | Residue |
| A | GLU46 |
| A | LYS97 |
| A | SER103 |
| A | LYS211 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 407 |
| Chain | Residue |
| A | ASN99 |
| A | THR100 |
| A | ARG101 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 408 |
| Chain | Residue |
| A | ARG292 |
| A | VAL294 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 5 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"12628190","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1NW3","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00902","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"12628190","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1NW3","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
