2HUW
X-ray crystal structure of the Grb2 SH2 domain complexed to a constrained and cyclopropane-derived ligand
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PO4 B 201 |
| Chain | Residue |
| B | HIS58 |
| B | PRO59 |
| B | TRP60 |
| B | ARG136 |
| B | ASP150 |
| B | HOH220 |
| site_id | AC2 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE YVN B 202 |
| Chain | Residue |
| B | SER88 |
| B | GLU89 |
| B | SER90 |
| B | SER96 |
| B | HIS107 |
| B | PHE108 |
| B | LYS109 |
| B | LEU120 |
| B | TRP121 |
| B | HOH228 |
| B | HOH246 |
| B | HOH250 |
| B | HOH268 |
| A | PRO155 |
| B | ARG67 |
| B | ARG86 |
| site_id | AC3 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE YVN A 203 |
| Chain | Residue |
| A | ARG67 |
| A | ARG86 |
| A | SER88 |
| A | GLU89 |
| A | SER90 |
| A | SER96 |
| A | GLN106 |
| A | HIS107 |
| A | PHE108 |
| A | LYS109 |
| A | LEU120 |
| A | TRP121 |
| A | HOH223 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 184 |
| Details | Domain: {"description":"SH2","evidences":[{"source":"PROSITE-ProRule","id":"PRU00191","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"19608861","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)","evidences":[{"source":"PubMed","id":"34348893","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
