Receptor
PDB id Resolution Class Description Source Keywords
1ypj 1.78 Å EC: 3.4.21.5 THROMBIN INHIBITOR COMPLEX HOMO SAPIENS THROMBIN INHIBITOR COMPLEX BARREL 6 STRANDED BETA-SHEET CLOTTING-HYDROLASE INHIBITOR COMPLEX
Ref.: A SIMPLE PROTOCOL TO ESTIMATE DIFFERENCES IN PROTEI AFFINITY FOR ENANTIOMERS WITHOUT PRIOR RESOLUTION O RACEMATES ANGEW.CHEM.INT.ED.ENGL. V. 45 985 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data Chemaxon Viewer Molecular Weight (Da) Formula SMILES
ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU I:1;
Valid;
Atoms found LESS than expected: % Diff = 0.126;
submit data 1342.38 n/a [S+2]...
UIB H:5555;
Valid;
none;
Ki = 95 nM 448.557 C26 H32 N4 O3 CC[C@...
View in 3D viewer
Show:
Background:
Molecular Surface:
Left mouse click:
Jmol Command:
Jmol viewer:
- Jmol Mouse manual
- Jmol: an open-source Java viewer for chemical structures in 3D.
- For Jmol Menu: Right click on the viewer.
- Note: Accept the security warning to view.
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1EB1 1.8 Å EC: 3.4.21.5 COMPLEX STRUCTURE OF HUMAN THROMBIN WITH N-METHYL-ARGININE I HOMO SAPIENS SERINE PROTEINASE BLOOD COAGULATION CALCIUM-BINDING GLYCOKRINGLE HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.: THE METHYL GROUP OF N(ALPHA)(ME)ARG-CONTAINING PEPT DISTURBS THE ACTIVE-SITE GEOMETRY OF THROMBIN, IMPA EFFICIENT CLEAVAGE J.MOL.BIOL. V. 316 869 2002
Members (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 91 families.
1 1YPE Ki = 8 nM UIP C26 H30 N4 O3 CC[C@@H]1[....
2 3U8T Ki = 16.5 uM DPN PRO DAR CYS NH2 n/a n/a
3 1EB1 Ki = 37 pM ZAL PRO MMO n/a n/a
4 1YPM Ki = 1.9 uM RA4 C23 H35 N7 O5 O=[N+]([O-....
5 1YPJ Ki = 95 nM UIB C26 H32 N4 O3 CC[C@@H]1[....
6 1YPK - CCR C29 H39 N5 O7 S [S+2]([O-]....
7 1YPG Ki = 10 nM UIR C27 H30 N4 O3 c1cc(ccc1[....
8 1SB1 Ki = 128 nM 165 C28 H35 N5 O4 S2 [S+2]([O-]....
9 4HFP Kd = 42 nM 15U C23 H36 N6 O5 S [H]/N=C(N)....
10 1TWX - ASP PHE GLU GLU ILE PRO GLY GLU TYS LEU n/a n/a
11 1H8D - PHW C45 H48 N3 O9 P P(Oc1ccccc....
12 1VR1 - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
13 1H8I - ASP PHE GLU GLU ILE PRO GLU GLU TYS LEU n/a n/a
14 1YPL Ki = 10.6 uM RA8 C23 H38 N6 O4 S [S+2]([O-]....
15 3BV9 ic50 = 6.9 uM DAR OIC PRO DAL 4PH NH2 n/a n/a
16 3U8R Ki = 7.7 uM DPN PRO DAR ILE NH2 n/a n/a
17 3U8O Ki = 0.92 uM DPN PRO DAR DTH NH2 n/a n/a