Receptor
PDB id Resolution Class Description Source Keywords
1KAP 1.64 Å EC: 3.4.24.- THREE-DIMENSIONAL STRUCTURE OF THE ALKALINE PROTEASE OF PSEU AERUGINOSA: A TWO-DOMAIN PROTEIN WITH A CALCIUM BINDING PARR OLL MOTIF PSEUDOMONAS AERUGINOSA CALCIUM BINDING PROTEIN ZINC METALLOPROTEASE
Ref.: THREE-DIMENSIONAL STRUCTURE OF THE ALKALINE PROTEAS PSEUDOMONAS AERUGINOSA: A TWO-DOMAIN PROTEIN WITH A BINDING PARALLEL BETA ROLL MOTIF. EMBO J. V. 12 3357 1993
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA P:614;
P:615;
P:616;
P:617;
P:618;
P:619;
P:620;
P:621;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
GLY SER ASN SER I:751;
Valid;
none;
submit data
363.327 n/a O=C([...
ZN P:613;
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
1KAP 1.64 Å EC: 3.4.24.- THREE-DIMENSIONAL STRUCTURE OF THE ALKALINE PROTEASE OF PSEU AERUGINOSA: A TWO-DOMAIN PROTEIN WITH A CALCIUM BINDING PARR OLL MOTIF PSEUDOMONAS AERUGINOSA CALCIUM BINDING PROTEIN ZINC METALLOPROTEASE
Ref.: THREE-DIMENSIONAL STRUCTURE OF THE ALKALINE PROTEAS PSEUDOMONAS AERUGINOSA: A TWO-DOMAIN PROTEIN WITH A BINDING PARALLEL BETA ROLL MOTIF. EMBO J. V. 12 3357 1993
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 1KAP - GLY SER ASN SER n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1KAP - GLY SER ASN SER n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3HDA - ALA GLU ALA ALA GLN ALA n/a n/a
2 3HBU - ALA LYS ALA ALA n/a n/a
3 3HBV - ALA LYS ALA SER GLN ALA ALA n/a n/a
4 1KAP - GLY SER ASN SER n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLY SER ASN SER; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY SER ASN SER 1 1
2 GLY CYS VAL LEU SER 0.428571 0.822222
3 CYS GLY ASP LEU LEU ASN LEU ASP LEU GLY 0.424658 0.8
4 GLY LYS ASP SER CYS GLN GLY ASP SER 0.413043 0.847826
5 GLY SER MSE GLY 0.411765 0.734694
6 GLY ASP 0.411765 0.725
7 LYS ASN LYS 0.40625 0.755556
8 GLY ASN TYR SER PHE TYR ALA LEU 0.404255 0.754717
9 ASP SER 0.4 0.875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1KAP; Ligand: GLY SER ASN SER; Similar sites found: 32
This union binding pocket(no: 1) in the query (biounit: 1kap.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5L44 K26 0.0003063 0.44734 1.46138
2 1RL4 BRR 0.0004764 0.47822 1.59574
3 1Y79 LYS TRP 0.000128 0.4993 1.67015
4 3AHO 3A2 0.001345 0.45825 2.50522
5 4DV8 0LX 0.001035 0.47708 2.71399
6 4GAA BES 0.002248 0.41279 2.71399
7 1G27 BB1 0.0003977 0.42456 2.97619
8 3E3U NVC 0.0004908 0.4487 3.04569
9 1LQY BB2 0.00287 0.4002 3.26087
10 4WKI 3PW 0.004148 0.41704 3.40426
11 4AR8 IP8 GLY PRO ALA 0.0008884 0.42875 3.80711
12 1S17 GNR 0.0003612 0.42595 3.88889
13 2XQ0 BES 0.0008773 0.43428 3.9666
14 3M6P BB2 0.001412 0.44566 4.14508
15 4DR9 BB2 0.000476 0.43892 4.16667
16 4B52 RDF 0.001013 0.43519 4.27632
17 3DWB RDF 0.005373 0.41188 4.38413
18 1WS1 BB2 0.0008269 0.42963 5.12821
19 1BKC INN 0.0002826 0.4705 5.46875
20 3ZVS MLI 0.00001436 0.57541 5.625
21 5UE4 5XQ 0.005585 0.4252 5.9322
22 1ATL 0QI 0.0004161 0.47906 5.94059
23 1Q3A NGH 0.0001317 0.4987 6.06061
24 2GGX NPJ 0.01661 0.40438 8.125
25 3R6K FUC GAL GLA 0.0177 0.40727 8.19672
26 4WZV E40 0.000009564 0.43908 8.75
27 3SJK LYS PRO VAL LEU ARG THR ALA 0.01787 0.40384 8.94737
28 1FBL HTA 0.0009949 0.43746 11.6216
29 1QJI PKF 0.0000006196 0.55844 13.5
30 1MMQ RRS 0.00007389 0.46108 18.8235
31 4IN9 SER TRP PHE PRO 0.0004185 0.49192 24.6988
32 2TCL RO4 0.00001736 0.46668 26.0355
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