Receptor
PDB id Resolution Class Description Source Keywords
3HBU 1.77 Å EC: 3.4.24.- PRTC METHIONINE MUTANTS: M226H DESY ERWINIA CHRYSANTHEMI MET-TURNBETA ROLL METALLOPROTEASE METZINCIN HYDROLASE MBINDING 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 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 LYS ALA ALA; Similar ligands found: 36
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA LYS ALA ALA 1 1
2 ALA LYS ALA ILE ALA 0.730159 0.942857
3 ALA LYS ALA SER GLN ALA ALA 0.716418 0.785714
4 ALA HIS ALA LYS ALA 0.578947 0.75
5 ALA ALA ALA ALA ALA 0.557692 0.69697
6 ALA ARG THR LYS GLN THR ALA ARG LYS SER 0.534884 0.66
7 SER LEU LEU LYS LYS LEU LEU LEU ALA 0.529412 0.767442
8 ALA GLU ALA ALA GLN ALA 0.528571 0.810811
9 ALA ALA SER ALA SER ALA 0.52459 0.682927
10 PHE GLU ALA LYS LYS LEU VAL 0.507042 0.868421
11 ALA ALA SER LEU TYR GLU LYS LYS ALA ALA 0.5 0.634615
12 ALA ARG ALA ALA ALA ALA ALA ALA ALA 0.485294 0.744186
13 GLY LEU TYR ALA SER LYS LEU ALA 0.483146 0.647059
14 ALA GLU ALA VAL PRO TRP LYS SER GLU 0.477612 0.783784
15 LYS LYS LYS ALA 0.47619 0.888889
16 SER LYS SER MLZ ASP ARG LYS TYR THR LEU 0.469136 0.6875
17 ALA LYS 0.464286 0.828571
18 GLY THR LEU SER ASN ARG ALA SER LYS LEU 0.459459 0.767442
19 ALA GLY ALA ALA 0.459016 0.777778
20 ALA THR PRK ALA ALA ARG LYS SER 0.452381 0.733333
21 ALA ALA LEU THR ARG ALA 0.447059 0.653061
22 ALA GLY GLY ALA ALA ALA ALA ALA 0.441176 0.833333
23 LYS ALA ALA ARG ALY SER ALA PRO ALA 0.4375 0.66
24 HIS GLU GLU LEU ALA LYS LEU 0.434211 0.868421
25 ILE LYS ARG SER MLZ LYS ASN SER LEU ALA 0.426829 0.622642
26 ALA LEU ALA LEU 0.421875 0.72973
27 LYS ALA LYS 0.415385 0.888889
28 ALA ARG THR LYS GLN THR ALA ARG 0.414894 0.66
29 ALA ARG THR LYS GLN THR ALA ARG LYS 0.414894 0.66
30 ILE LYS ARG SER LYS LYS ASN SER LEU ALA 0.410256 0.666667
31 LYS ARG GLU ALA ILE VAL LYS ALA ASP GLU 0.408602 0.804878
32 ALA ARG THR 4WQ GLN THR ALA ARG LYS SER 0.406977 0.611111
33 PRO ALA ALA LYS ARG VAL LYS LEU ASP 0.405063 0.767442
34 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.402985 0.72973
35 ALA SER VAL SER ALA 0.402985 0.666667
36 HIS GLY ALA ALA ARG ALA GLU VAL HIS LEU 0.402174 0.695652
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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