Receptor
PDB id Resolution Class Description Source Keywords
3hbu 1.77 Å EC: 3.4.24.- PRTC METHIONINE MUTANTS: M226H DESY ERWINIA CHRYSANTHEMI MET-TURN BETA ROLL METALLOPROTEASE METZINCIN HYDROLASE 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 ALA Z:1;
 Valid;
 none;
 submit data
345.444 n/a O=C(N...
CA P:480;
P:481;
P:482;
P:483;
P:484;
P:485;
P:489;
 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:490;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
ZN P:486;
P:487;
P:488;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
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 ALA; Similar ligands found: 40
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA LYS ALA ALA 1 1
2 ALA LYS ALA ILE ALA 0.738462 0.945946
3 ALA LYS ALA SER GLN ALA ALA 0.724638 0.833333
4 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.69697 0.833333
5 ALA HIS ALA LYS ALA 0.589744 0.76087
6 ALA LEU SER ARG GLN 0.557377 0.731707
7 SER LEU LEU LYS LYS LEU LEU LEU ALA 0.542857 0.795455
8 ALA ALA ALA ALA 0.537037 0.685714
9 ALA ALA ALA ALA ALA 0.537037 0.685714
10 ALA GLU ALA ALA GLN ALA 0.513889 0.815789
11 ALA ALA SER ALA SER ALA 0.507937 0.714286
12 LYS LYS LYS ALA 0.507692 0.894737
13 DLE DLY DAL DLE DLY DLY DLE DAL ZDC 0.5 0.625
14 ALA LEU SER ARG 0.5 0.731707
15 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.494845 0.660377
16 ALA THR PRK ALA ALA ARG LYS SER 0.482353 0.76087
17 GLY LEU TYR ALA SER LYS LEU ALA 0.478261 0.673077
18 ALA GLU ALA VAL PRO TRP LYS SER GLU 0.463768 0.769231
19 ALA ARG THR ALA ALA THR ALA ARG LYS SER 0.463415 0.708333
20 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.458333 0.790698
21 LYS ALA LYS 0.454545 0.894737
22 DLY DTY DLY DLY DAL DLE ZDC 0.453608 0.614035
23 SER LYS SER MLZ ASP ARG LYS TYR THR LEU 0.452381 0.714286
24 ALA ALA LEU THR ARG ALA 0.436782 0.693878
25 ALA ARG THR LYS GLN THR ALA ARG LYS 0.42268 0.7
26 PRO LYS THR PRO LYS LYS ALA LYS LYS LEU 0.422535 0.921053
27 ALA GLY ALA ALA 0.421875 0.837838
28 LYS ILE ALA ALA 0.42029 0.918919
29 ALA LYS GLU LYS SER ASP 0.417722 0.755556
30 ALA ARG LYS LEU ASP 0.416667 0.729167
31 HIS GLU GLU LEU ALA LYS LEU 0.414634 0.875
32 LYS LEU LYS 0.414286 0.875
33 ALA GLU LYS ASP GLU LEU 0.4125 0.833333
34 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.4125 0.795455
35 6X4 0.410256 0.833333
36 LYS LYS LYS 0.409091 0.868421
37 ALA LEU ALA LEU 0.409091 0.717949
38 ALA GLY GLY ALA ALA ALA ALA ALA 0.408451 0.864865
39 SER LEU LEU LYS LYS LEU LEU ASP 0.407407 0.744681
40 ALA ARG THR LYS GLN THR ALA ARG 0.4 0.714286
Similar Ligands (3D)
Ligand no: 1; Ligand: ALA LYS 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
APoc FAQ
Feedback