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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 7 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 with APoc: 203
This union binding pocket(no: 1) in the query (biounit: 1exf.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 5MT9 ARG None
2 5MT9 SRO None
3 4OWK NGA None
4 3REF GDP None
5 5N5D SAM 0.884956
6 2AF6 BRU 1.23967
7 4ITH RCM 1.65289
8 4YFY 1YJ 2.06612
9 2J83 BAT 2.06612
10 5Y1G NAD 2.47934
11 5Y1G AKB 2.47934
12 1NP7 FAD 2.47934
13 5DEP UD1 2.47934
14 5UIU 8CG 2.47934
15 5MDH NAD 2.47934
16 6BJA COA 2.47934
17 1S68 AMP 2.47934
18 5FRD COA 2.47934
19 2QZZ EMF 2.47934
20 2QZZ NAP 2.47934
21 2J4D FAD 2.47934
22 3QDC RET 2.51046
23 2WQ4 SFU 2.5641
24 5LW0 AR6 2.5974
25 2GEK GDP 2.89256
26 1WD4 AHR 2.89256
27 6ARY FLC 2.89256
28 1N0U SO1 2.89256
29 3FPF TNA 2.89256
30 3FPF MTA 2.89256
31 6MPT C30 2.89256
32 2XXP DSL 2.89256
33 3TLJ SAH 2.89256
34 2BZZ AP5 2.96296
35 1QK3 5GP 3.00429
36 6F4W FMC 3.00429
37 4DJA DLZ 3.30579
38 4DJA FAD 3.30579
39 2H1H AFH 3.30579
40 1Q19 APC 3.30579
41 6A1G 9OL 3.30579
42 1A59 COA 3.30579
43 4JWH SAH 3.30579
44 1TH8 ADP 3.44828
45 1ZVX FIN 3.68098
46 4A0S NAP 3.71901
47 3VCY UD1 3.71901
48 5CCM SAM 3.71901
49 5CCM 4ZX 3.71901
50 5THQ NDP 3.71901
51 2X61 NGA GAL SIA 3.71901
52 1GTE FMN 3.71901
53 1GTE IUR 3.71901
54 2OJW ADP 3.71901
55 5E3Q SCA 3.71901
56 5K0A FAD 3.71901
57 3K87 FAD 3.78378
58 5CFT 51G 3.78378
59 3IE3 N11 3.82775
60 3IE3 GSH 3.82775
61 2OFW ADX 3.84615
62 1X1R GDP 3.93258
63 5C79 PBU 4
64 5WSY 7UC 4.04624
65 6EMU SAM 4.06091
66 2ZX2 RAM 4.10256
67 4LXQ TYD 4.13223
68 4LXQ FON 4.13223
69 1I9G SAM 4.13223
70 2J07 FAD 4.13223
71 2J07 HDF 4.13223
72 2YYE APC 4.13223
73 4OKD GLC GLC GLC 4.13223
74 5N5S NAP 4.13223
75 4W6Z 8ID 4.13223
76 1X87 NAD 4.13223
77 5UQW GDP 4.2328
78 3HVJ 705 4.52489
79 1Z4O GL1 4.52489
80 4P4T GDP 4.54545
81 4DSG UDP 4.54545
82 4DSG FAD 4.54545
83 3MB5 SAM 4.54545
84 4CJN MUR 4.54545
85 1PN0 FAD 4.54545
86 1PN0 IPH 4.54545
87 4RYD 2UE ARG TBG ARG 00S 4.54545
88 4ZVV GN0 4.54545
89 1VA6 P2S 4.54545
90 1VA6 ADP 4.54545
91 5W6Y TRP 4.54545
92 4ZVV NAD 4.54545
93 6FA4 GNP 4.62428
94 3FSY SCA 4.81928
95 2BME GNP 4.83871
96 5I7A 68Q 4.90798
97 3DUW SAH 4.93274
98 5VFC 9BA 4.95868
99 3DMH SAM 4.95868
100 3DMH GMP 4.95868
101 1EIX BMQ 4.95868
102 3LKJ LKJ 4.96454
103 2WLG SOP 5.11628
104 3TNF GNP 5.17241
105 3RAB GNP 5.32544
106 6G9I CXX 5.35714
107 2QK4 ATP 5.3719
108 5OKT 9XK 5.3719
109 6B92 SAH 5.3719
110 1H2B NAJ 5.3719
111 5FSY AR6 5.3719
112 4KBA 1QM 5.3719
113 6GFK SAH 5.3719
114 6CWH 6LA 5.49451
115 3ACC 5GP 5.52486
116 3E5H GNP 5.61798
117 4WZV E40 5.625
118 3VSV XYS 5.78512
119 4HZD COA 5.78512
120 3ZF8 GDP 5.78512
121 5O4J SAH 5.78512
122 2WQP WQP 5.78512
123 5O4J PJL 5.78512
124 1IK4 PGH 5.92105
125 3T34 GDP 6.19835
126 6HSP COA 6.19835
127 6HSP CO8 6.19835
128 6HSJ COA 6.19835
129 5VM0 9EG 6.25
130 1WY7 SAH 6.28019
131 2C5L GTP 6.35838
132 6D5H GNP 6.58683
133 6BVI GNP 6.58683
134 6BVL GNP 6.58683
135 6BVK GNP 6.58683
136 6BVM GNP 6.58683
137 6BVJ GNP 6.58683
138 6D5L GNP 6.58683
139 6D56 GNP 6.58683
140 6D5V GNP 6.58683
141 6D5G GNP 6.58683
142 6D59 GNP 6.58683
143 6D5M GNP 6.58683
144 6D5J GNP 6.58683
145 6D5E GNP 6.58683
146 6D55 GNP 6.58683
147 3KFL ME8 6.61157
148 1PFY MSP 6.61157
149 1NVV GNP 6.62651
150 2PEZ GGZ 6.70391
151 2PEZ DAT 6.70391
152 5BO9 SIA GAL NGS 7.02479
153 5K0S 0OU 7.02479
154 4K81 GTP 7.02479
155 3CY2 MB9 7.02479
156 3TY5 ADP 7.43802
157 5BZ4 COA 7.43802
158 5MY8 RXZ 7.43802
159 2X1L MET 7.85124
160 3JYN NDP 7.85124
161 3I3X U22 8.26446
162 5C2N NAG 8.33333
163 5ZW3 SAH 8.44444
164 2FKA BEF 8.52713
165 4MV1 ADP 8.67769
166 5UWR GNP 8.86076
167 5UWT GNP 8.86076
168 5DI9 GNP 8.86076
169 5V49 8WA 9.09091
170 5V49 MET 9.09091
171 2BS3 CIT 9.09091
172 3C1O NAP 9.09091
173 2QFY AKG 9.09091
174 1HK8 DGT 9.50413
175 1GUA GNP 9.58084
176 3X1Z GNP 9.58084
177 4HDO GNP 9.58084
178 4HAT GNP 9.72222
179 1BQ4 BHC 9.91736
180 4XBA GMP 10
181 3DDC GNP 10.241
182 2A9K GDP 10.6952
183 1Y8Q ATP 10.7438
184 4P83 U5P 10.989
185 1WOR RED 11.157
186 2UZI GTP 11.4035
187 5IVE 6E8 11.5702
188 3GJX GTP 11.5702
189 1UWK NAD 11.5702
190 1UWK URO 11.5702
191 3H4L ANP 11.5702
192 1U8Z GDP 11.9048
193 3KIF GDL 12.2642
194 3F4F UMP 12.3967
195 2H88 TEO 12.6214
196 1VC9 ATP 12.6984
197 1F76 FMN 13.2231
198 1WQ1 GDP 13.2231
199 5XET ME8 14.0496
200 2H21 SAM 14.4628
201 6DEF GCP 15.7025
202 2VBU CDP 17.6471
203 5HZ9 5M8 22.963
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