Receptor
PDB id Resolution Class Description Source Keywords
3LMS 2.5 Å EC: 3.4.17.20 STRUCTURE OF HUMAN ACTIVATED THROMBIN-ACTIVATABLE FIBRINOLYS INHIBITOR, TAFIA, IN COMPLEX WITH TICK-DERIVED FUNNELIN INHT CI. HOMO SAPIENS FIBRINOLYSIS COGAULATION FUNNELIN ALPHA-BETA-HYDROLASE METALLOPEPTIDASE ALTERNATIVE SPLICING CARBOXYPEPTIDASE DBOND GLYCOPROTEIN HYDROLASE METAL-BINDING METALLOPROTEAPOLYMORPHISM PROTEASE SECRETED ZINC ZYMOGEN BLOOD COAGMETALLOENZYME INHIBITOR METALLOPROTEASE INHIBITOR HYDROLAHYDROLASE INHIBITOR COMPLEX
Ref.: INSIGHTS INTO THE MOLECULAR INACTIVATION MECHANISM ACTIVATED THROMBIN-ACTIVATABLE FIBRINOLYSIS INHIBIT J.THROMB.HAEMOST. V. 8 1056 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:509;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
CL A:506;
A:507;
B:508;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
35.453 Cl [Cl-]
GLY A:501;
Valid;
none;
submit data
75.067 C2 H5 N O2 C(C(=...
GOL A:503;
A:504;
A:505;
B:502;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
K A:510;
A:511;
Invalid;
Invalid;
none;
none;
submit data
39.098 K [K+]
ZN A:309;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LMS 2.5 Å EC: 3.4.17.20 STRUCTURE OF HUMAN ACTIVATED THROMBIN-ACTIVATABLE FIBRINOLYS INHIBITOR, TAFIA, IN COMPLEX WITH TICK-DERIVED FUNNELIN INHT CI. HOMO SAPIENS FIBRINOLYSIS COGAULATION FUNNELIN ALPHA-BETA-HYDROLASE METALLOPEPTIDASE ALTERNATIVE SPLICING CARBOXYPEPTIDASE DBOND GLYCOPROTEIN HYDROLASE METAL-BINDING METALLOPROTEAPOLYMORPHISM PROTEASE SECRETED ZINC ZYMOGEN BLOOD COAGMETALLOENZYME INHIBITOR METALLOPROTEASE INHIBITOR HYDROLAHYDROLASE INHIBITOR COMPLEX
Ref.: INSIGHTS INTO THE MOLECULAR INACTIVATION MECHANISM ACTIVATED THROMBIN-ACTIVATABLE FIBRINOLYSIS INHIBIT J.THROMB.HAEMOST. V. 8 1056 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3LMS - GLY C2 H5 N O2 C(C(=O)O)N
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3LMS - GLY C2 H5 N O2 C(C(=O)O)N
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3LMS - GLY C2 H5 N O2 C(C(=O)O)N
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLY; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY 1 1
2 BAL 0.5625 0.708333
3 ABU 0.473684 0.708333
4 MCR 0.466667 0.65
5 2RA 0.421053 0.692308
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LMS; Ligand: GLY; Similar sites found: 13
This union binding pocket(no: 1) in the query (biounit: 3lms.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3CL7 HYN 0.0191 0.403 2.92208
2 1TL2 NDG 0.01451 0.40598 2.9661
3 154L NAG NAG NAG 0.01713 0.40249 6.75676
4 1WUU ANP 0.003838 0.42522 7.11974
5 1KQB BEZ 0.01615 0.42059 8.29493
6 1KQB FMN 0.0164 0.40957 8.29493
7 5O4J PJL 0.01999 0.4405 10.8108
8 1YKI FMN 0.02086 0.40799 10.8108
9 5O4J 9KH 0.03775 0.40738 10.8108
10 5O4J SAH 0.03775 0.40738 10.8108
11 5DBX ANP 0.02149 0.40503 16.2162
12 4A38 BZS 0.0001062 0.43133 20.2703
13 3T95 PAV 0.002809 0.43155 21.6216
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