Receptor
PDB id Resolution Class Description Source Keywords
3HDA 2.13 Å EC: 3.4.24.- PRTC METHIONINE MUTANTS: M226A_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 GLU ALA ALA GLN ALA Z:1;
Valid;
none;
submit data
543.578 n/a O=C([...
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;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
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 CALCIUM HYDROLASE METAL-BINDING PROTEASE SECRETED ZYMOGEN
Ref.: METZINCIN'S CANONICAL METHIONINE IS RESPONSIBLE FOR THE 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 17 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 15 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 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: ALA GLU ALA ALA GLN ALA; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA GLU ALA ALA GLN ALA 1 1
2 ALA GLU ALA VAL PRO TRP LYS SER GLU 0.617647 0.914286
3 ALA LYS ALA SER GLN ALA ALA 0.594937 0.767442
4 ACE GLY ALA ALA GLN GLU GLU 0.581081 0.918919
5 ILE GLU ILE 0.542857 0.888889
6 ALA LYS ALA ALA 0.528571 0.810811
7 ALA THR ILE MET MET GLN ARG GLY 0.511628 0.780488
8 ALA LYS ALA ILE ALA 0.5 0.769231
9 ALA THR LYS ALA SEP GLN GLU LEU 0.5 0.653061
10 HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 0.489362 0.755556
11 ALA ALA SER ALA SER ALA 0.485714 0.666667
12 ALA ALA ALA ALA ALA 0.460317 0.676471
13 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.459184 0.647059
14 ARG GLU ALA ALA 0.45679 0.790698
15 GLN ILE IL0 ILE GLU ILE ALA 0.456522 0.780488
16 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.454545 0.767442
17 ALA ZGL 0.453125 0.941176
18 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.447619 0.622642
19 LEU ALA SER LEU GLU SER GLN SER 0.438202 0.772727
20 ALA ALA TRP LEU PHE GLU ALA 0.436364 0.666667
21 ALA THR ALA ALA ALA THR GLU ALA TYR 0.427083 0.695652
22 ALA HIS ALA LYS ALA 0.423913 0.625
23 THR ASN GLU PHE ALA PHE 0.419355 0.780488
24 ALA DGL 0.415385 0.823529
25 SER LYS SER MLZ ASP ARG LYS TYR THR LEU 0.413043 0.673469
26 ALA ALA ALA ALA SER ALA ALA 0.410959 0.707317
27 ALA TRP LEU PHE GLU ALA 0.407407 0.666667
28 ALA SER ASN GLU ASN ALA GLU THR MET 0.405941 0.68
29 LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU 0.405941 0.785714
30 GLN LEU ALA 0.405405 0.861111
31 ALA ARG THR ALY GLN THR ALA 0.4 0.622642
32 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.4 0.805556
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: 51
This union binding pocket(no: 1) in the query (biounit: 3hbv.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4GAA BES 0.0008301 0.43232 1.2987
2 3DBK RDF 0.0007163 0.46168 1.3289
3 4DV8 0LX 0.001497 0.46908 1.51515
4 4KX8 L2O VAL VAL ASP 0.0001089 0.50248 1.94805
5 3DWB RDF 0.0009832 0.4457 1.94805
6 3AHO 3A2 0.0008324 0.46831 2.38095
7 4QHP 32Q 0.002709 0.43837 2.38095
8 5V4R MGT 0.0003935 0.48351 2.46914
9 1S17 GNR 0.0001621 0.44188 2.77778
10 2BP1 FLC 0.02169 0.40556 2.81385
11 3M6P BB2 0.001197 0.44674 3.10881
12 1BKC INN 0.0002131 0.47611 3.125
13 4WKI 3PW 0.002369 0.42819 3.40426
14 4TMN 0PK 0.0002583 0.40493 3.48101
15 2OKL BB2 0.00282 0.40257 3.78378
16 1LQY BB2 0.0003804 0.43733 3.80435
17 4AR8 IP8 GLY PRO ALA 0.0009132 0.42964 4.06091
18 1Q1Y BB2 0.00236 0.43072 4.18848
19 3KDU NKS 0.02969 0.41472 4.33213
20 1QJI PKF 0.0001768 0.4853 4.5
21 2Q8H TF4 0.01092 0.42476 4.6683
22 4DR9 BB2 0.00008071 0.47223 4.6875
23 4ARF IP8 GLY PRO ALA 0.004641 0.41938 4.82234
24 3SVJ 4LI 0.00175 0.4474 5.41872
25 3G5K BB2 0.002682 0.41108 5.46448
26 1H0A I3P 0.01445 0.40803 5.6962
27 1ATL 0QI 0.0003265 0.4841 5.94059
28 4AIG FLX 0.005185 0.41703 5.97015
29 4ZW3 4S9 0.0005366 0.49134 6.49351
30 4B52 RDF 0.0003135 0.47117 6.57895
31 3E3U NVC 0.00005467 0.49055 6.59898
32 5L44 K26 0.00129 0.422 7.14286
33 1KQR MNA 0.01972 0.41218 7.26257
34 4Z5W TYS ILE TYS THR GLN 0.01898 0.40404 7.35931
35 1Y79 LYS TRP 0.0007775 0.4332 8.00866
36 1J78 VDY 0.0009927 0.45641 8.0786
37 1G27 BB1 0.00009449 0.44966 8.92857
38 1KUK PCA LYS TRP 0.005935 0.4099 9.35961
39 5OCA 9QZ 0.005897 0.43821 12.4424
40 1WS1 BB2 0.0001627 0.46095 13.4615
41 1FBL HTA 0.0003649 0.45761 15.6757
42 5JF2 SF7 0.001505 0.40635 18.1373
43 5UE4 5XQ 0.01242 0.40793 20.7627
44 1RL4 BRR 0.0003495 0.48488 25
45 4IN9 SER TRP PHE PRO 0.0001565 0.4286 26.506
46 1MMQ RRS 0.00003697 0.47529 30
47 4WZV E40 0.000006735 0.44889 30.625
48 1Q3A NGH 0.0002431 0.45642 32.7273
49 1HFS L04 0.000002104 0.60798 34.375
50 1ZVX FIN 0.000005494 0.59072 38.0368
51 2TCL RO4 0.000005317 0.56447 40.2367
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