5Q0E
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(4S,8S)-8-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-4-methyl-2-oxo-1,3,4,5,6,7,8,10-octahydro-2H-12,9-(azeno)-1,10-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 9FD A 301 |
Chain | Residue |
A | ARG39 |
A | LYS192 |
A | GLY193 |
A | ASP194 |
A | SER195 |
A | TRP215 |
A | GLY216 |
A | GLY218 |
A | CYS219 |
A | GLY226 |
A | VAL227 |
A | HIS40 |
A | EDO304 |
A | EDO307 |
A | EDO316 |
A | HOH413 |
A | HOH478 |
A | LEU41 |
A | HIS57 |
A | CYS58 |
A | ILE151 |
A | ASP189 |
A | ALA190 |
A | CYS191 |
site_id | AC2 |
Number of Residues | 11 |
Details | binding site for residue SO4 A 302 |
Chain | Residue |
A | VAL23 |
A | ARG24 |
A | GLY25 |
A | GLU26 |
A | TRP27 |
A | PRO28 |
A | ILE70 |
A | LEU71 |
A | LEU155 |
A | HOH414 |
A | HOH432 |
site_id | AC3 |
Number of Residues | 6 |
Details | binding site for residue SO4 A 303 |
Chain | Residue |
A | LYS169 |
A | LYS169 |
A | ARG170 |
A | ARG170 |
A | ARG184 |
A | ARG184 |
site_id | AC4 |
Number of Residues | 4 |
Details | binding site for residue EDO A 304 |
Chain | Residue |
A | 9FD301 |
A | EDO307 |
A | EDO308 |
A | EDO316 |
site_id | AC5 |
Number of Residues | 6 |
Details | binding site for residue EDO A 305 |
Chain | Residue |
A | ASN49 |
A | THR111 |
A | VAL112 |
A | GLY113 |
A | TYR114 |
A | HOH472 |
site_id | AC6 |
Number of Residues | 7 |
Details | binding site for residue EDO A 306 |
Chain | Residue |
A | ARG24 |
A | SER99 |
A | GLY173 |
A | LYS175 |
A | HOH436 |
A | HOH466 |
A | HOH535 |
site_id | AC7 |
Number of Residues | 8 |
Details | binding site for residue EDO A 307 |
Chain | Residue |
A | SER81 |
A | GLY216 |
A | GLU217 |
A | GLY218 |
A | 9FD301 |
A | EDO304 |
A | EDO308 |
A | HOH499 |
site_id | AC8 |
Number of Residues | 5 |
Details | binding site for residue EDO A 308 |
Chain | Residue |
A | GLY216 |
A | GLU217 |
A | EDO304 |
A | EDO307 |
A | HOH426 |
site_id | AC9 |
Number of Residues | 1 |
Details | binding site for residue EDO A 309 |
site_id | AD1 |
Number of Residues | 2 |
Details | binding site for residue EDO A 310 |
Chain | Residue |
A | GLN38 |
A | HOH406 |
site_id | AD2 |
Number of Residues | 7 |
Details | binding site for residue EDO A 311 |
Chain | Residue |
A | GLU167 |
A | ARG170 |
A | GLY184 |
A | TYR184 |
A | GLU223 |
A | PRO225 |
A | HOH431 |
site_id | AD3 |
Number of Residues | 6 |
Details | binding site for residue EDO A 312 |
Chain | Residue |
A | HIS178 |
A | MET180 |
A | ILE181 |
A | ASN230 |
A | HOH483 |
A | HOH541 |
site_id | AD4 |
Number of Residues | 5 |
Details | binding site for residue EDO A 313 |
Chain | Residue |
A | SER99 |
A | GLY100 |
A | TYR101 |
A | THR177 |
A | LYS179 |
site_id | AD5 |
Number of Residues | 3 |
Details | binding site for residue EDO A 314 |
Chain | Residue |
A | GLU26 |
A | TRP137 |
A | LYS157 |
site_id | AD6 |
Number of Residues | 4 |
Details | binding site for residue EDO A 315 |
Chain | Residue |
A | ILE47 |
A | THR242 |
A | GLN243 |
A | HOH448 |
site_id | AD7 |
Number of Residues | 5 |
Details | binding site for residue EDO A 316 |
Chain | Residue |
A | GLY113 |
A | TYR114 |
A | 9FD301 |
A | EDO304 |
A | HOH423 |
site_id | AD8 |
Number of Residues | 3 |
Details | binding site for residue EDO A 317 |
Chain | Residue |
A | GLY25 |
A | GLU26 |
A | ARG119 |
site_id | AD9 |
Number of Residues | 4 |
Details | binding site for residue EDO A 318 |
Chain | Residue |
A | PRO120 |
A | ILE121 |
A | CYS122 |
A | TRP207 |
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 | |