2AOA
Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE S1S A 201 |
| Chain | Residue |
| A | ARG67 |
| A | LEU111 |
| A | LEU120 |
| B | ARG142 |
| A | ARG86 |
| A | SER88 |
| A | GLU89 |
| A | SER90 |
| A | SER96 |
| A | HIS107 |
| A | PHE108 |
| A | LYS109 |
| site_id | AC2 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE S1S B 301 |
| Chain | Residue |
| A | ASN143 |
| A | S1S401 |
| A | S1S401 |
| A | HOH402 |
| A | HOH406 |
| A | HOH406 |
| A | HOH417 |
| B | ARG86 |
| B | SER96 |
| B | HIS107 |
| B | PHE108 |
| B | LYS109 |
| B | LEU111 |
| B | LEU120 |
| B | TRP121 |
| B | P33501 |
| B | HOH524 |
| site_id | AC3 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE S1S A 401 |
| Chain | Residue |
| A | ASP113 |
| A | LYS117 |
| A | ARG142 |
| A | HOH402 |
| A | HOH404 |
| A | HOH458 |
| B | ASP94 |
| B | LYS109 |
| B | LEU111 |
| B | TRP121 |
| B | VAL122 |
| B | LYS124 |
| B | GLU130 |
| B | S1S301 |
| B | S1S301 |
| B | HOH506 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE P33 B 501 |
| Chain | Residue |
| B | ARG112 |
| B | S1S301 |
| B | HOH517 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| 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_FI2 |
| 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 |
