5QTT
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(3R,7S)-7-{[5-amino-1-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carbonyl]amino}-3-methyl-2-oxo-2,3,4,5,6,7-hexahydro-1H-12,8-(metheno)-1,9-benzodiazacyclotetradecin-15-yl]carbamate
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004252 | molecular_function | serine-type endopeptidase activity |
| A | 0006508 | biological_process | proteolysis |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 24 |
| Details | binding site for residue QEY A 301 |
| Chain | Residue |
| A | ARG39 |
| A | GLY193 |
| A | SER195 |
| A | THR213 |
| A | SER214 |
| A | TRP215 |
| A | GLY216 |
| A | GLY218 |
| A | GLY226 |
| A | VAL227 |
| A | TYR228 |
| A | HIS40 |
| A | EDO303 |
| A | HOH419 |
| A | HOH447 |
| A | HOH463 |
| A | HOH468 |
| A | LEU41 |
| A | TYR143 |
| A | ILE151 |
| A | ASP189 |
| A | ALA190 |
| A | CYS191 |
| A | LYS192 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 302 |
| Chain | Residue |
| A | ARG170 |
| A | ARG170 |
| A | ARG184 |
| A | ARG184 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 303 |
| Chain | Residue |
| A | HIS57 |
| A | SER214 |
| A | TRP215 |
| A | QEY301 |
| A | HOH463 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 304 |
| Chain | Residue |
| A | ASN49 |
| A | THR111 |
| A | VAL112 |
| A | GLY113 |
| A | TYR114 |
| site_id | AC5 |
| Number of Residues | 10 |
| Details | binding site for residue EDO A 305 |
| Chain | Residue |
| A | ARG24 |
| A | GLY25 |
| A | GLU26 |
| A | TRP27 |
| A | PRO28 |
| A | ILE70 |
| A | LEU71 |
| A | LEU155 |
| A | HOH407 |
| A | HOH443 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 306 |
| Chain | Residue |
| A | SER81 |
| A | LYS192 |
| A | GLY216 |
| A | GLU217 |
| A | GLY218 |
| A | HOH447 |
| site_id | AC7 |
| Number of Residues | 9 |
| Details | binding site for residue EDO A 307 |
| Chain | Residue |
| A | GLU167 |
| A | ARG170 |
| A | GLY184 |
| A | TYR184 |
| A | ARG184 |
| A | GLU223 |
| A | ARG224 |
| A | PRO225 |
| A | HOH425 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 308 |
| Chain | Residue |
| A | ASN165 |
| A | HIS178 |
| A | MET180 |
| A | ILE181 |
| A | ASN230 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 309 |
| Chain | Residue |
| A | SER99 |
| A | GLY100 |
| A | TYR101 |
| A | THR177 |
| A | LYS179 |
| site_id | AD1 |
| Number of Residues | 1 |
| Details | binding site for residue EDO A 310 |
| site_id | AD2 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 311 |
| Chain | Residue |
| A | ILE47 |
| A | LEU239 |
| A | THR242 |
| A | HOH418 |
| site_id | AD3 |
| Number of Residues | 1 |
| Details | binding site for residue EDO A 312 |
| site_id | AD4 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 313 |
| Chain | Residue |
| A | ARG24 |
| A | SER99 |
| A | GLY173 |
| A | LYS175 |
| A | HOH503 |
Functional Information from PROSITE/UniProt
| site_id | PS00134 |
| Number of Residues | 6 |
| Details | TRYPSIN_HIS Serine proteases, trypsin family, histidine active site. LTAAHC |
| Chain | Residue | Details |
| A | LEU53-CYS58 | |
| site_id | PS00135 |
| Number of Residues | 12 |
| Details | TRYPSIN_SER Serine proteases, trypsin family, serine active site. DAckGDSGGPLS |
| Chain | Residue | Details |
| A | ASP189-SER200 | |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 3 |
| Details | ACT_SITE: Charge relay system |
| Chain | Residue | Details |
| A | HIS57 | |
| A | ASP102 | |
| A | SER195 | |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | LYS169 | |
| Chain | Residue | Details |
| A | ASN72 | |
| Chain | Residue | Details |
| A | GLY113 | |
