4Z0K
Rapid development of two Factor IXa inhibitors from Hit to Lead
Functional Information from GO Data
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 15 |
Details | binding site for residue 4LN A 301 |
Chain | Residue |
A | TYR99 |
A | GLU217 |
A | GLU219 |
A | CYS220 |
A | HOH411 |
A | HOH508 |
A | HOH519 |
A | PHE174 |
A | SER190 |
A | CYS191 |
A | GLN192 |
A | SER195 |
A | SER214 |
A | TRP215 |
A | GLY216 |
site_id | AC2 |
Number of Residues | 6 |
Details | binding site for residue NA A 302 |
Chain | Residue |
A | GLU70 |
A | ASN72 |
A | GLU75 |
A | GLU77 |
A | GLU80 |
A | HOH407 |
site_id | AC3 |
Number of Residues | 11 |
Details | binding site for residue NHE A 303 |
Chain | Residue |
A | ASP21 |
A | LYS132 |
A | PHE145 |
A | ALA152 |
A | LEU153 |
A | VAL154 |
A | HOH423 |
A | HOH476 |
A | HOH486 |
A | HOH623 |
B | ASN89 |
site_id | AC4 |
Number of Residues | 4 |
Details | binding site for residue CL B 201 |
Chain | Residue |
A | ARG83 |
A | HOH451 |
A | HOH561 |
B | LEU117 |
Functional Information from PROSITE/UniProt
site_id | PS00134 |
Number of Residues | 6 |
Details | TRYPSIN_HIS Serine proteases, trypsin family, histidine active site. VTAAHC |
Chain | Residue | Details |
A | VAL53-CYS58 |
site_id | PS00135 |
Number of Residues | 12 |
Details | TRYPSIN_SER Serine proteases, trypsin family, serine active site. DScqGDSGGPHV |
Chain | Residue | Details |
A | ASP189-VAL200 |
site_id | PS01186 |
Number of Residues | 16 |
Details | EGF_2 EGF-like domain signature 2. CsCteGYrlaenqksC |
Chain | Residue | Details |
B | CYS109-CYS124 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 1 |
Details | SITE: Cleavage; by factor XIa |
Chain | Residue | Details |
B | ARG145 | |
A | SER195 |
site_id | SWS_FT_FI2 |
Number of Residues | 1 |
Details | ACT_SITE: Charge relay system => ECO:0000269|PubMed:659613 |
Chain | Residue | Details |
A | ASP102 |
site_id | SWS_FT_FI3 |
Number of Residues | 4 |
Details | BINDING: BINDING => ECO:0000269|PubMed:10467148, ECO:0000269|PubMed:20004170, ECO:0000269|PubMed:20080729, ECO:0000269|PubMed:20121197, ECO:0000269|PubMed:20121198, ECO:0007744|PDB:1RFN, ECO:0007744|PDB:2WPH, ECO:0007744|PDB:2WPI, ECO:0007744|PDB:2WPJ, ECO:0007744|PDB:2WPK, ECO:0007744|PDB:2WPM, ECO:0007744|PDB:3KCG, ECO:0007744|PDB:3LC3, ECO:0007744|PDB:3LC5 |
Chain | Residue | Details |
A | GLU70 | |
A | ASN72 | |
A | GLU75 | |
A | GLU77 |
site_id | SWS_FT_FI4 |
Number of Residues | 1 |
Details | BINDING: BINDING => ECO:0000269|PubMed:10467148, ECO:0000269|PubMed:20004170, ECO:0000269|PubMed:20080729, ECO:0000269|PubMed:20121197, ECO:0000269|PubMed:20121198, ECO:0007744|PDB:2WPH, ECO:0007744|PDB:2WPI, ECO:0007744|PDB:2WPJ, ECO:0007744|PDB:2WPK, ECO:0007744|PDB:2WPM, ECO:0007744|PDB:3KCG, ECO:0007744|PDB:3LC3, ECO:0007744|PDB:3LC5 |
Chain | Residue | Details |
A | GLU80 |