4J9C
Crystal structure of the Abl-SH3 domain H59Q-N96T mutant complexed with the designed high-affinity peptide ligand P17
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE PGE A 201 |
| Chain | Residue |
| A | TYR70 |
| A | TYR70 |
| A | SER113 |
| A | ASN114 |
| A | ILE116 |
| A | HOH330 |
| B | PRO9 |
| B | PRO10 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PEG A 202 |
| Chain | Residue |
| A | GLU101 |
| A | ASN106 |
| A | HOH332 |
| A | HOH332 |
| A | LEU91 |
| site_id | AC3 |
| Number of Residues | 34 |
| Details | BINDING SITE FOR CHAIN B OF P17 |
| Chain | Residue |
| A | TYR70 |
| A | TYR70 |
| A | SER75 |
| A | ASP77 |
| A | LYS84 |
| A | ASN94 |
| A | GLU98 |
| A | TRP99 |
| A | LYS105 |
| A | ASN106 |
| A | TRP110 |
| A | PRO112 |
| A | ASN114 |
| A | TYR115 |
| A | PGE201 |
| A | PGE201 |
| A | HOH308 |
| A | HOH312 |
| A | HOH316 |
| A | HOH354 |
| A | HOH364 |
| B | HOH101 |
| B | HOH102 |
| B | HOH103 |
| B | HOH104 |
| B | HOH105 |
| B | HOH106 |
| B | HOH107 |
| B | HOH108 |
| B | HOH109 |
| B | HOH111 |
| B | HOH113 |
| B | HOH115 |
| B | HOH116 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphotyrosine; by autocatalysis => ECO:0000269|PubMed:16912036, ECO:0000269|PubMed:18775435 |
| Chain | Residue | Details |
| A | TYR70 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphotyrosine => ECO:0000269|PubMed:16912036 |
| Chain | Residue | Details |
| A | TYR115 |
