4X2U
X-ray crystal structure of the orally available aminopeptidase inhibitor, Tosedostat, bound to the M1 Alanyl Aminopeptidase from P. falciparum
Functional Information from GO Data
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 4 |
Details | binding site for residue ZN A 1101 |
Chain | Residue |
A | HIS496 |
A | HIS500 |
A | GLU519 |
A | TOD1102 |
site_id | AC2 |
Number of Residues | 19 |
Details | binding site for residue TOD A 1102 |
Chain | Residue |
A | ARG489 |
A | HIS496 |
A | GLU497 |
A | HIS500 |
A | GLU519 |
A | TYR580 |
A | GLN1038 |
A | ZN1101 |
A | GOL1105 |
A | GOL1112 |
A | HOH1395 |
A | HOH1501 |
A | HOH1541 |
A | HOH2422 |
A | ASN458 |
A | VAL459 |
A | GLY460 |
A | ALA461 |
A | GLU463 |
site_id | AC3 |
Number of Residues | 6 |
Details | binding site for residue MG A 1103 |
Chain | Residue |
A | GLY250 |
A | HOH1219 |
A | HOH1270 |
A | HOH1282 |
A | HOH1324 |
A | HOH1471 |
site_id | AC4 |
Number of Residues | 6 |
Details | binding site for residue MG A 1104 |
Chain | Residue |
A | HOH1596 |
A | HOH1705 |
A | HOH1766 |
A | HOH1828 |
A | HOH1919 |
A | HOH2118 |
site_id | AC5 |
Number of Residues | 7 |
Details | binding site for residue GOL A 1105 |
Chain | Residue |
A | GLN317 |
A | GLU319 |
A | MET462 |
A | TYR575 |
A | TOD1102 |
A | HOH1541 |
A | HOH1728 |
site_id | AC6 |
Number of Residues | 10 |
Details | binding site for residue GOL A 1106 |
Chain | Residue |
A | LYS479 |
A | TYR880 |
A | HIS886 |
A | VAL887 |
A | ASP888 |
A | GLN891 |
A | ARG895 |
A | TYR925 |
A | HOH1507 |
A | HOH1529 |
site_id | AC7 |
Number of Residues | 5 |
Details | binding site for residue GOL A 1107 |
Chain | Residue |
A | SER826 |
A | TYR853 |
A | THR900 |
A | SER903 |
A | HOH1789 |
site_id | AC8 |
Number of Residues | 7 |
Details | binding site for residue GOL A 1108 |
Chain | Residue |
A | HIS653 |
A | LYS676 |
A | TYR741 |
A | ASN835 |
A | PHE836 |
A | HOH1575 |
A | HOH2320 |
site_id | AC9 |
Number of Residues | 5 |
Details | binding site for residue GOL A 1109 |
Chain | Residue |
A | ASN573 |
A | TYR575 |
A | THR1037 |
A | TYR1077 |
A | HOH1452 |
site_id | AD1 |
Number of Residues | 6 |
Details | binding site for residue GOL A 1110 |
Chain | Residue |
A | ASN273 |
A | PRO698 |
A | GLU699 |
A | ASN700 |
A | TYR757 |
A | HOH2325 |
site_id | AD2 |
Number of Residues | 10 |
Details | binding site for residue GOL A 1111 |
Chain | Residue |
A | ASP545 |
A | TYR765 |
A | CYS768 |
A | THR769 |
A | TYR772 |
A | TYR823 |
A | SER826 |
A | PRO828 |
A | HOH1488 |
A | HOH2357 |
site_id | AD3 |
Number of Residues | 8 |
Details | binding site for residue GOL A 1112 |
Chain | Residue |
A | TYR575 |
A | THR576 |
A | THR577 |
A | TYR580 |
A | TOD1102 |
A | HOH1997 |
A | HOH2251 |
A | HOH2422 |
site_id | AD4 |
Number of Residues | 6 |
Details | binding site for residue MG A 1113 |
Chain | Residue |
A | HOH1574 |
A | HOH1691 |
A | HOH1748 |
A | HOH1760 |
A | HOH2002 |
A | HOH2029 |
site_id | AD5 |
Number of Residues | 6 |
Details | binding site for residue MG A 1114 |
Chain | Residue |
A | ASN1083 |
A | HOH1238 |
A | HOH1277 |
A | HOH1355 |
A | HOH1667 |
A | HOH2388 |
Functional Information from PROSITE/UniProt
site_id | PS00142 |
Number of Residues | 10 |
Details | ZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. VVGHEYFHQY |
Chain | Residue | Details |
A | VAL493-TYR502 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 1 |
Details | ACT_SITE: Proton acceptor => ECO:0000250|UniProtKB:P15144 |
Chain | Residue | Details |
A | GLU497 |
site_id | SWS_FT_FI2 |
Number of Residues | 3 |
Details | BINDING: BINDING => ECO:0000305|PubMed:19196988, ECO:0000305|PubMed:21366301, ECO:0007744|PDB:3EBH, ECO:0007744|PDB:3EBI, ECO:0007744|PDB:3Q43 |
Chain | Residue | Details |
A | GLU319 | |
A | GLY460 | |
A | GLU463 |
site_id | SWS_FT_FI3 |
Number of Residues | 1 |
Details | BINDING: BINDING => ECO:0000305|PubMed:19196988, ECO:0000305|PubMed:21366301, ECO:0007744|PDB:3EBH, ECO:0007744|PDB:3Q43 |
Chain | Residue | Details |
A | ALA461 |
Chain | Residue | Details |
A | HIS496 | |
A | HIS500 | |
A | GLU519 |
site_id | SWS_FT_FI5 |
Number of Residues | 1 |
Details | SITE: Important for substrate specificity => ECO:0000269|PubMed:23897806 |
Chain | Residue | Details |
A | VAL459 |
site_id | SWS_FT_FI6 |
Number of Residues | 1 |
Details | SITE: Transition state stabilizer => ECO:0000250|UniProtKB:P15144 |
Chain | Residue | Details |
A | TYR580 |
site_id | SWS_FT_FI7 |
Number of Residues | 1 |
Details | SITE: Cleavage => ECO:0000305|PubMed:21659511 |
Chain | Residue | Details |
A | GLN795 |