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Receptor
PDB id Resolution Class Description Source Keywords
3KCG 1.7 Å EC: 3.4.21.22 CRYSTAL STRUCTURE OF THE ANTITHROMBIN-FACTOR IXA- PENTASACCHARIDE COMPLEX HOMO SAPIENS MICHAELIS COMPLEX BLOOD COAGULATION CALCIUM DISULFIDE BOND EGF-LIKE DOMAIN GLYCOPROTEIN HEMOPHILIA HYDROLASEPHARMACEUTICAL PROTEASE SECRETED SERINE PROTEASE SULFATION ZYMOGEN HEPARIN-BINDING PROTEASE INHIBITOR SERINE PROTEASE INHIBITOR THROMBOPHILIA
Ref.: MOLECULAR BASIS OF FACTOR IXA RECOGNITION BY HEPARIN-ACTIVATED ANTITHROMBIN REVEALED BY A 1.7-A STRUCTURE OF THE TERNARY COMPLEX. PROC.NATL.ACAD.SCI.USA V. 107 645 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA H:500;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
MPD I:5276;
I:5277;
Invalid;
Invalid;
none;
none;
submit data
118.174 C6 H14 O2 C[C@@...
NAG FUC I:801;
I:901;
Part of Protein;
Part of Protein;
none;
none;
submit data
367.351 n/a O=C(N...
NAG NAG MAN I:841;
Part of Protein;
none;
submit data n/a n/a n/a n/a
NTP I:433;
Valid;
none;
submit data
1661.41 C36 H60 O55 S9 CO[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3KCG 1.7 Å EC: 3.4.21.22 CRYSTAL STRUCTURE OF THE ANTITHROMBIN-FACTOR IXA- PENTASACCHARIDE COMPLEX HOMO SAPIENS MICHAELIS COMPLEX BLOOD COAGULATION CALCIUM DISULFIDE BOND EGF-LIKE DOMAIN GLYCOPROTEIN HEMOPHILIA HYDROLASEPHARMACEUTICAL PROTEASE SECRETED SERINE PROTEASE SULFATION ZYMOGEN HEPARIN-BINDING PROTEASE INHIBITOR SERINE PROTEASE INHIBITOR THROMBOPHILIA
Ref.: MOLECULAR BASIS OF FACTOR IXA RECOGNITION BY HEPARIN-ACTIVATED ANTITHROMBIN REVEALED BY A 1.7-A STRUCTURE OF THE TERNARY COMPLEX. PROC.NATL.ACAD.SCI.USA V. 107 645 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 3KCG - NTP C36 H60 O55 S9 CO[C@@H]1[....
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 3KCG - NTP C36 H60 O55 S9 CO[C@@H]1[....
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 3KCG - NTP C36 H60 O55 S9 CO[C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NTP; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 NTP 1 1
2 GU4 GU6 GU0 GU5 GU8 GU9 GU8 GU9 GU8 GU9 GU8 GU5 GU1 GU6 GU2 GU3 0.471154 0.854545
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3KCG; Ligand: NTP; Similar sites found with APoc: 18
This union binding pocket(no: 1) in the query (biounit: 3kcg.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4EOX 0S5 3.38983
2 3FV1 DYH 3.82979
3 5JF2 SF7 4.41176
4 1BXK NAD 4.68085
5 4W4S B29 5
6 4OJ8 2TQ 5.46075
7 3B8X G4M 8.47458
8 1GNI OLA 8.47458
9 1XRO LEU 10.2128
10 1DUG GSH 10.6838
11 1JG9 GLC 11.8644
12 5V4R MGT 13.5593
13 5EK3 5PK 15.2542
14 5OCA 9QZ 16.9492
15 2VWA PTY 20.7921
16 3STD MQ0 23.7288
17 2QZT PLM 25.2252
18 5WGR FAD 27.1186
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