4J9I
Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P17
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL E 201 |
| Chain | Residue |
| E | ASN64 |
| E | LEU65 |
| E | ASN120 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL E 202 |
| Chain | Residue |
| C | TYR93 |
| C | ASN96 |
| C | GLY97 |
| site_id | AC3 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR CHAIN B OF P17 |
| Chain | Residue |
| A | ASP77 |
| A | THR79 |
| A | LYS84 |
| A | GLU98 |
| A | TRP99 |
| A | ASN106 |
| A | TRP110 |
| A | PRO112 |
| A | TYR115 |
| A | HOH219 |
| A | HOH222 |
| B | HOH101 |
| C | ASN96 |
| E | HOH318 |
| A | TYR70 |
| A | TYR70 |
| A | SER75 |
| site_id | AC4 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR CHAIN D OF P17 |
| Chain | Residue |
| C | TYR70 |
| C | SER75 |
| C | ASN78 |
| C | THR79 |
| C | ASN94 |
| C | GLU98 |
| C | TRP99 |
| C | LYS105 |
| C | TRP110 |
| C | PRO112 |
| C | ASN114 |
| C | TYR115 |
| E | TYR70 |
| E | LYS84 |
| site_id | AC5 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR CHAIN F OF P17 |
| Chain | Residue |
| C | LYS84 |
| C | PRO118 |
| E | TYR70 |
| E | SER75 |
| E | GLY76 |
| E | ASP77 |
| E | GLU98 |
| E | TRP99 |
| E | ASN106 |
| E | TRP110 |
| E | PRO112 |
| E | ASN114 |
| E | TYR115 |
| E | HOH317 |
| F | HOH101 |
| F | HOH102 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 3 |
| Details | Modified residue: {"description":"Phosphotyrosine; by autocatalysis","evidences":[{"source":"PubMed","id":"16912036","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18775435","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 3 |
| Details | Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"16912036","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
