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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 with APoc: 34
This union binding pocket(no: 1) in the query (biounit: 3lms.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 3T50 FMN 2.34375
2 3CL7 HYN 2.92208
3 1TL2 NDG 2.9661
4 4CRL C1I 4.05405
5 5OJI ISN 4.05405
6 5WSY 7UC 4.05405
7 2BVL GLC 4.85437
8 2BVL UDP 4.85437
9 5BNS 4VM 5.17799
10 1YRE COA 6.59898
11 1AL8 DHP 6.75676
12 154L NAG NAG NAG 6.75676
13 1WUU ANP 7.11974
14 3KP6 SAL 7.28477
15 5D2R 56W 8.09062
16 5LOF 70R 8.10811
17 1KQB FMN 8.29493
18 1KQB BEZ 8.29493
19 3NFZ 3NF 10.8108
20 5O4J SAH 10.8108
21 5O4J PJL 10.8108
22 5T0B SIA GAL NAG 10.8108
23 1ICV FMN 10.8108
24 1YKI FMN 10.8108
25 1YKI NFZ 10.8108
26 5O4J 9KH 10.8108
27 1QSM ACO 11.8421
28 1D2N ANP 12.1622
29 1N9L FMN 14.8649
30 3JQQ FAD 14.8649
31 5DBX ANP 16.2162
32 4A38 BZS 20.2703
33 3T95 PAV 21.6216
34 1TJY PAV 21.6216
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