Receptor
PDB id Resolution Class Description Source Keywords
1EXF 2.1 Å EC: 3.4.21.- EXFOLIATIVE TOXIN A STAPHYLOCOCCUS AUREUS COMPLEX (TOXIN/PEPTIDE) HYDROLASE SERINE PROTEASE SUPERANTIGEN
Ref.: THE STRUCTURE OF THE SUPERANTIGEN EXFOLIATIVE TOXIN A SUGGESTS A NOVEL REGULATION AS A SERINE PROTEASE. BIOCHEMISTRY V. 36 1559 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLY A:300;
Valid;
none;
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75.067 C2 H5 N O2 C(C(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1EXF 2.1 Å EC: 3.4.21.- EXFOLIATIVE TOXIN A STAPHYLOCOCCUS AUREUS COMPLEX (TOXIN/PEPTIDE) HYDROLASE SERINE PROTEASE SUPERANTIGEN
Ref.: THE STRUCTURE OF THE SUPERANTIGEN EXFOLIATIVE TOXIN A SUGGESTS A NOVEL REGULATION AS A SERINE PROTEASE. BIOCHEMISTRY V. 36 1559 1997
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 1EXF - GLY C2 H5 N O2 C(C(=O)O)N
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 1EXF - GLY C2 H5 N O2 C(C(=O)O)N
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1EXF - GLY C2 H5 N O2 C(C(=O)O)N
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLY; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY 1 1
2 BAL 0.5625 0.708333
3 ABU 0.473684 0.708333
4 MCR 0.466667 0.65
5 2RA 0.421053 0.692308
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1EXF; Ligand: GLY; Similar sites found: 76
This union binding pocket(no: 1) in the query (biounit: 1exf.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4OWK NGA 0.004074 0.40573 None
2 5N5D SAM 0.003435 0.46185 0.884956
3 2J83 BAT 0.002175 0.43485 2.06612
4 1NP7 FAD 0.003175 0.43549 2.47934
5 5UIU 8CG 0.03413 0.42055 2.47934
6 5MDH NAD 0.03964 0.41375 2.47934
7 1S68 AMP 0.00118 0.40757 2.47934
8 2QZZ NAP 0.03213 0.40145 2.47934
9 2QZZ EMF 0.03315 0.40145 2.47934
10 2J4D FAD 0.006622 0.40095 2.47934
11 2WQ4 SFU 0.00216 0.41117 2.5641
12 2GEK GDP 0.000434 0.50272 2.89256
13 1N0U SO1 0.01695 0.42488 2.89256
14 4DE9 VTP 0.02294 0.42014 2.89256
15 3T2C 13P 0.006615 0.41348 2.89256
16 1QK3 5GP 0.003819 0.41516 3.00429
17 2H1H AFH 0.01673 0.43901 3.30579
18 1Q19 APC 0.0008889 0.43842 3.30579
19 1A59 COA 0.0184 0.41256 3.30579
20 4JWH SAH 0.02083 0.40611 3.30579
21 1TH8 ADP 0.02246 0.40057 3.44828
22 1ZVX FIN 0.01419 0.43049 3.68098
23 3VCY UD1 0.007713 0.44094 3.71901
24 5CCM 4ZX 0.006791 0.43947 3.71901
25 5CCM SAM 0.005787 0.43947 3.71901
26 5THQ NDP 0.01879 0.42207 3.71901
27 2X61 NGA GAL SIA 0.003651 0.41989 3.71901
28 3K87 FAD 0.002637 0.45397 3.78378
29 2OFW ADX 0.01032 0.46031 3.84615
30 5H56 TYD 0.009233 0.41672 4.10256
31 5H56 ADP 0.009233 0.41672 4.10256
32 4LXQ TYD 0.004139 0.49931 4.13223
33 4LXQ FON 0.004139 0.49931 4.13223
34 1I9G SAM 0.002357 0.43638 4.13223
35 2J07 FAD 0.009445 0.43529 4.13223
36 4W6Z 8ID 0.01402 0.41459 4.13223
37 1X87 NAD 0.02052 0.41054 4.13223
38 3HVJ 705 0.0235 0.42572 4.52489
39 1Z4O GL1 0.002985 0.41625 4.52489
40 2BME GNP 0.01413 0.40609 4.83871
41 4B0H DUR 0.04188 0.42579 4.86111
42 3DUW SAH 0.004506 0.44011 4.93274
43 1EIX BMQ 0.005081 0.40414 4.95868
44 3LKJ LKJ 0.01549 0.41512 4.96454
45 3TNF GNP 0.01567 0.40548 5.17241
46 4DSU GDP 0.003553 0.43976 5.29101
47 3RAB GNP 0.008645 0.41193 5.32544
48 2QK4 ATP 0.000557 0.45682 5.3719
49 3ACC 5GP 0.008417 0.42947 5.52486
50 3E5H GNP 0.009174 0.40771 5.61798
51 4HZD COA 0.0027 0.43191 5.78512
52 3ZF8 GDP 0.01023 0.42583 5.78512
53 2WQP WQP 0.04202 0.41121 5.78512
54 5O4J PJL 0.0144 0.40756 5.78512
55 1WY7 SAH 0.008069 0.40613 6.28019
56 3KFL ME8 0.005663 0.45626 6.61157
57 1NVV GNP 0.001007 0.48587 6.62651
58 1NVU GTP 0.002971 0.4236 6.62651
59 2PEZ DAT 0.009243 0.46045 6.70391
60 4K81 GTP 0.003895 0.41105 7.02479
61 5BZ4 COA 0.01704 0.41226 7.43802
62 3JYN NDP 0.04457 0.41786 7.85124
63 2FKA BEF 0.00158 0.41605 8.52713
64 5UWT GNP 0.02485 0.40477 8.86076
65 2BS3 CIT 0.004913 0.43357 9.09091
66 3C1O NAP 0.01472 0.43011 9.09091
67 4HAT GNP 0.006648 0.4015 9.72222
68 2A9K GDP 0.0003388 0.46456 10.6952
69 2UZI GTP 0.001604 0.46455 11.4035
70 3GJX GTP 0.008663 0.41007 11.5702
71 3H4L ANP 0.009825 0.40707 11.5702
72 2GJP BGC GLC DAF GLC GLC GLC DAF 0.02623 0.40779 11.9835
73 3KIF GDL 0.0006766 0.44977 12.2642
74 1VC9 ATP 0.0167 0.40938 12.6984
75 1F76 FMN 0.02018 0.42833 13.2231
76 2VBU CDP 0.01544 0.41877 17.6471
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