3N7Y
Crystal Structure of the Grb2 SH2 Domain in Complex with a 20-Membered Macrocyclic Ligand Having the Sequence pYVNV
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR CHAIN D OF 20-MEMBERED PEPTIDE-LIKE MACROCYCLIC LIGAND |
| Chain | Residue |
| A | ARG67 |
| A | TRP121 |
| A | ASN143 |
| A | HOH154 |
| A | HOH188 |
| C | ASN143 |
| C | GLN144 |
| C | HOH168 |
| C | HOH170 |
| D | HOH86 |
| D | HOH287 |
| A | ARG86 |
| A | SER88 |
| A | SER90 |
| A | SER96 |
| A | HIS107 |
| A | PHE108 |
| A | LYS109 |
| A | LEU120 |
| site_id | AC2 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR CHAIN E OF 20-MEMBERED PEPTIDE-LIKE MACROCYCLIC LIGAND |
| Chain | Residue |
| A | ASN143 |
| A | GLN144 |
| B | HOH32 |
| B | ARG67 |
| B | ARG86 |
| B | SER88 |
| B | SER90 |
| B | SER96 |
| B | GLN106 |
| B | HIS107 |
| B | PHE108 |
| B | LYS109 |
| B | LEU120 |
| B | TRP121 |
| B | HOH164 |
| B | HOH296 |
| E | HOH104 |
| E | HOH121 |
| E | HOH202 |
| E | HOH205 |
| E | HOH275 |
| site_id | AC3 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR CHAIN F OF 20-MEMBERED PEPTIDE-LIKE MACROCYCLIC LIGAND |
| Chain | Residue |
| B | GLN106 |
| B | GLN144 |
| B | HOH163 |
| B | HOH198 |
| B | HOH207 |
| C | ARG67 |
| C | ARG86 |
| C | SER88 |
| C | GLU89 |
| C | SER90 |
| C | SER96 |
| C | HIS107 |
| C | PHE108 |
| C | LYS109 |
| C | LEU120 |
| C | TRP121 |
| F | HOH47 |
| F | HOH166 |
| F | HOH170 |
| F | HOH285 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 276 |
| Details | Domain: {"description":"SH2","evidences":[{"source":"PROSITE-ProRule","id":"PRU00191","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 3 |
| 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 | 6 |
| 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 |
