4J9H
Crystal structure of the ABL-SH3 domain complexed with the designed high-affinity peptide ligand P7 at pH 8
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 E 201 |
| Chain | Residue |
| A | HOH243 |
| E | GLU86 |
| E | LYS87 |
| E | LYS105 |
| E | HOH338 |
| site_id | AC2 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR CHAIN G OF P7 |
| Chain | Residue |
| A | ASN94 |
| A | GLU98 |
| A | TRP99 |
| A | ASN106 |
| A | TRP110 |
| A | ASN114 |
| A | TYR115 |
| A | HOH221 |
| A | HOH241 |
| A | HOH263 |
| B | LYS84 |
| B | HOH229 |
| D | PRO118 |
| G | HOH102 |
| G | HOH103 |
| G | HOH104 |
| G | HOH105 |
| G | HOH106 |
| G | HOH108 |
| G | HOH109 |
| G | HOH110 |
| H | PRO10 |
| A | TYR70 |
| A | SER75 |
| A | ASP77 |
| A | THR79 |
| site_id | AC3 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR CHAIN H OF P7 |
| Chain | Residue |
| A | TYR70 |
| A | HOH219 |
| B | TYR70 |
| B | SER75 |
| B | ASN78 |
| B | THR79 |
| B | ASN94 |
| B | GLU98 |
| B | TRP99 |
| B | LYS105 |
| B | TRP110 |
| B | ASN114 |
| B | TYR115 |
| B | HOH213 |
| B | HOH220 |
| G | PRO10 |
| H | HOH101 |
| H | HOH102 |
| H | HOH103 |
| H | HOH104 |
| H | HOH105 |
| H | HOH107 |
| H | HOH112 |
| H | HOH113 |
| H | HOH116 |
| H | HOH117 |
| H | HOH118 |
| site_id | AC4 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR CHAIN I OF P7 |
| Chain | Residue |
| E | HOH301 |
| E | HOH316 |
| F | TYR70 |
| F | SER75 |
| F | ASN78 |
| F | THR79 |
| F | ASN94 |
| F | GLU98 |
| F | TRP99 |
| F | LYS105 |
| F | ASN106 |
| F | TRP110 |
| F | TYR115 |
| F | HOH203 |
| F | HOH207 |
| F | HOH251 |
| I | HOH101 |
| I | HOH102 |
| I | HOH103 |
| I | HOH104 |
| I | HOH106 |
| I | HOH108 |
| I | HOH109 |
| I | HOH110 |
| site_id | AC5 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR CHAIN J OF P7 |
| Chain | Residue |
| E | HOH355 |
| F | TYR70 |
| F | LYS84 |
| J | HOH101 |
| J | HOH103 |
| J | HOH104 |
| J | HOH105 |
| J | HOH107 |
| J | HOH109 |
| C | THR117 |
| C | PRO118 |
| C | HOH220 |
| E | SER75 |
| E | ASP77 |
| E | THR79 |
| E | ASN94 |
| E | GLU98 |
| E | TRP99 |
| E | ASN106 |
| E | TRP110 |
| E | ASN114 |
| E | TYR115 |
| E | HOH302 |
| E | HOH315 |
| E | HOH324 |
| E | HOH335 |
| site_id | AC6 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR CHAIN K OF P7 |
| Chain | Residue |
| D | TYR70 |
| D | SER75 |
| D | ASP77 |
| D | ASN78 |
| D | THR79 |
| D | ASN94 |
| D | GLU98 |
| D | TRP99 |
| D | ASN106 |
| D | TRP110 |
| D | ASN114 |
| D | TYR115 |
| D | HOH207 |
| D | HOH254 |
| K | HOH101 |
| K | HOH102 |
| K | HOH103 |
| K | HOH104 |
| K | HOH106 |
| K | HOH109 |
| site_id | AC7 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR CHAIN L OF P7 |
| Chain | Residue |
| C | TYR70 |
| C | SER75 |
| C | GLY76 |
| C | ASP77 |
| C | ASN78 |
| C | THR79 |
| C | ASN94 |
| C | GLU98 |
| C | TRP99 |
| C | LYS105 |
| C | ASN106 |
| C | TRP110 |
| C | ASN114 |
| C | TYR115 |
| C | HOH205 |
| C | HOH216 |
| D | HOH232 |
| L | HOH101 |
| L | HOH102 |
| L | HOH103 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 6 |
| 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 | 6 |
| Details | Modified residue: {"description":"Phosphotyrosine","evidences":[{"source":"PubMed","id":"16912036","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
