Receptor
PDB id Resolution Class Description Source Keywords
3HBV 1.95 Å EC: 3.4.24.- PRTC METHIONINE MUTANTS: M226A IN-HOUSE ERWINIA CHRYSANTHEMI MET-TURN BETA ROLL ZINC METALLOPROTEASE METZINCIN CALCIHYDROLASE METAL-BINDING PROTEASE SECRETED ZYMOGEN
Ref.: METZINCIN'S CANONICAL METHIONINE IS RESPONSIBLE FOR STRUCTURAL INTEGRITY OF THE ZINC-BINDING SITE BIOL.CHEM. V. 390 875 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ALA LYS ALA SER GLN ALA ALA Z:1;
 Valid;
 none;
 submit data
631.732 n/a O=C(N...
CA P:480;
P:481;
P:482;
P:483;
P:484;
P:485;
P:487;
 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;
 submit data
40.078 Ca [Ca+2...
CL P:1;
P:3;
P:600;
P:601;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
35.453 Cl [Cl-]
ZN P:486;
P:488;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HBV 1.95 Å EC: 3.4.24.- PRTC METHIONINE MUTANTS: M226A IN-HOUSE ERWINIA CHRYSANTHEMI MET-TURN BETA ROLL ZINC METALLOPROTEASE METZINCIN CALCIHYDROLASE METAL-BINDING PROTEASE SECRETED ZYMOGEN
Ref.: METZINCIN'S CANONICAL METHIONINE IS RESPONSIBLE FOR STRUCTURAL INTEGRITY OF THE ZINC-BINDING SITE BIOL.CHEM. V. 390 875 2009
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 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
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 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
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 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 (2D)
Ligand no: 1; Ligand: ALA LYS ALA SER GLN ALA ALA; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA LYS ALA SER GLN ALA ALA 1 1
2 ALA LYS ALA ALA 0.724638 0.833333
3 ALA LYS ALA ILE ALA 0.609756 0.795455
4 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.592233 0.792453
5 ALA LEU SER ARG GLN 0.583333 0.857143
6 ALA GLU ALA ALA GLN ALA 0.580247 0.767442
7 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.559524 0.909091
8 GLY LEU TYR ALA SER LYS LEU ALA 0.55 0.807692
9 ALA ALA SER ALA SER ALA 0.540541 0.837209
10 ALA LEU SER ARG 0.534247 0.857143
11 ALA LYS GLU LYS SER ASP 0.523256 0.911111
12 SER LYS SER MLZ ASP ARG LYS TYR THR LEU 0.516129 0.857143
13 SER LEU LEU LYS LYS LEU LEU LEU ALA 0.511905 0.911111
14 ALA ARG THR LYS GLN THR ALA ARG LYS 0.509615 0.803922
15 LYS ALA ALA ARG M3L SER ALA 0.504854 0.672131
16 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.5 0.911111
17 ALA HIS ALA LYS ALA 0.489583 0.660377
18 ALA ARG THR M3L GLN THR ALA ALA LYS ALA 0.473214 0.650794
19 LYS SER LEU LEU GLN GLN LEU LEU THR GLU 0.471698 0.875
20 ALA ARG THR ALY GLN THR ALA 0.470588 0.773585
21 DLE DLY DAL DLE DLY DLY DLE DAL ZDC 0.466019 0.719298
22 TYR GLN SER LYS LEU 0.465347 0.807692
23 ASN LEU LEU GLN LYS LYS 0.463158 0.826087
24 ALA THR ILE MET MET GLN ARG GLY 0.458333 0.6875
25 ALA ARG THR M3L GLN THR ALA 2MR LYS 0.456311 0.66129
26 SER GLN LEU LYS ASN ASN ALA LYS GLU ILE 0.454545 0.84
27 SER LEU SER GLN SER LEU SER GLN SER 0.450549 0.888889
28 LEU ALA SER LEU GLU SER GLN SER 0.447917 0.869565
29 ALA ARG THR MLY GLN THR ALA ARG LYS TYR 0.447619 0.683333
30 ALA GLN PHE SER ALA SER ALA SER ARG 0.440367 0.773585
31 ALA GLN THR ALA ARG ALY SER THR 0.433628 0.792453
32 GLY ASN CYS PHE SER LYS ARG ARG ALA ALA MYR 0.430769 0.777778
33 DLY DTY DLY DLY DAL DLE ZDC 0.428571 0.706897
34 LYS LYS LYS ALA 0.426829 0.795455
35 ALA ARG THR M3L GLN THR ALA DA2 LYS 0.426357 0.66129
36 GLY GLY LYS LEU SER LYS LYS LYS LYS MYR 0.418182 0.857143
37 LYS GLN LYS 0.416667 0.795455
38 ALA ALA ALA ALA SER ALA ALA 0.4125 0.837209
39 ALA ARG THR MLZ GLN THR ALA ARG LYS 0.412281 0.732143
40 ALA GLN ASP ILE TYR ARG ALA SER TYR 0.412214 0.672131
41 ALA GLU ALA VAL PRO TRP LYS SER GLU 0.411765 0.727273
42 LYS GLN THR SER VAL 0.411111 0.847826
43 ALA ASN GLY GLY ALA SER GLY GLN VAL LYS 0.410256 0.875
44 LYS ALA SER VAL GLY 0.408602 0.954545
45 ALA ARG THR LYS GLN THR ALA ARG 0.407767 0.82
46 ALA THR PRK ALA ALA ARG LYS SER 0.407767 0.87234
47 HIS GLU GLU LEU ALA LYS LEU 0.40625 0.822222
48 ALA ARG THR M3L GLN THR ALA ARG 0.405405 0.650794
49 ALA GLU LYS ASP GLU LEU 0.404255 0.826087
50 ALA ARG THR ALA ALA THR ALA ARG LYS SER 0.40404 0.78
51 ALA SER VAL SER ALA 0.402439 0.818182
52 6X4 0.402174 0.826087
53 SER LEU LEU LYS LYS LEU LEU ASP 0.4 0.893617
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA LYS ALA SER GLN ALA ALA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HBV; Ligand: ALA LYS ALA SER GLN ALA ALA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3hbv.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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