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Receptor
PDB id Resolution Class Description Source Keywords
5XNA 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A SECRETARY ABUNDANT HEAT SOLUBLE (SAHS FROM RAMAZZOTTIUS VARIEORNATUS (FROM DIMER SAMPLE) RAMAZZOTTIUS VARIEORNATUS SECRETARY ABUNDANT HEAT SOLUBLE PROTEIN RAMAZZOTTIUS VARIEOFATTY ACID BINDING PROTEIN LIPID TRANSPORT
Ref.: STRUCTURAL INSIGHTS INTO A SECRETORY ABUNDANT HEAT-PROTEIN FROM AN ANHYDROBIOTIC TARDIGRADE, RAMAZZOTT VARIEORNATUS FEBS LETT. V. 591 2458 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN B:203;
B:204;
A:202;
B:201;
B:202;
A:201;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
EDO A:208;
B:211;
A:207;
B:208;
A:204;
A:205;
B:209;
B:210;
A:210;
A:211;
B:207;
A:209;
A:206;
B:206;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
MG B:205;
A:203;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
24.305 Mg [Mg+2...
CL A:212;
B:212;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
ACY B:213;
 Invalid;
 none;
 submit data
60.052 C2 H4 O2 CC(=O...
SHV A:213;
 Valid;
 none;
 submit data
130.185 C7 H14 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5XNA 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A SECRETARY ABUNDANT HEAT SOLUBLE (SAHS FROM RAMAZZOTTIUS VARIEORNATUS (FROM DIMER SAMPLE) RAMAZZOTTIUS VARIEORNATUS SECRETARY ABUNDANT HEAT SOLUBLE PROTEIN RAMAZZOTTIUS VARIEOFATTY ACID BINDING PROTEIN LIPID TRANSPORT
Ref.: STRUCTURAL INSIGHTS INTO A SECRETORY ABUNDANT HEAT-PROTEIN FROM AN ANHYDROBIOTIC TARDIGRADE, RAMAZZOTT VARIEORNATUS FEBS LETT. V. 591 2458 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5XNA - SHV C7 H14 O2 CCCCCCC(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5XNA - SHV C7 H14 O2 CCCCCCC(=O....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5XNA - SHV C7 H14 O2 CCCCCCC(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SHV; Similar ligands found: 50
No: Ligand ECFP6 Tc MDL keys Tc
1 SHV 1 1
2 OCA 0.869565 0.952381
3 MYR 0.833333 0.952381
4 EW8 0.833333 0.952381
5 TDA 0.833333 0.952381
6 F15 0.833333 0.952381
7 PLM 0.833333 0.952381
8 STE 0.833333 0.952381
9 DAO 0.833333 0.952381
10 KNA 0.833333 0.952381
11 DCR 0.833333 0.952381
12 F23 0.833333 0.952381
13 11A 0.833333 0.952381
14 DKA 0.833333 0.952381
15 X90 0.833333 0.952381
16 6NA 0.782609 0.95
17 PML 0.681818 0.625
18 KTC 0.666667 0.833333
19 LEA 0.652174 0.85
20 AZ1 0.652174 0.6
21 VCA 0.606061 0.909091
22 NER 0.606061 0.909091
23 PAM 0.606061 0.909091
24 ELA 0.606061 0.909091
25 OLA 0.606061 0.909091
26 MYZ 0.529412 0.863636
27 BUA 0.521739 0.7
28 ODD 0.513514 0.869565
29 BRC 0.5 0.625
30 3LA 0.5 0.76
31 EIC 0.487179 0.869565
32 EOD 0.487179 0.666667
33 M12 0.484848 0.826087
34 KAP 0.470588 0.6
35 9J6 0.46875 0.692308
36 OOA 0.46875 0.791667
37 14V 0.459459 0.703704
38 BMJ 0.444444 0.909091
39 D0G 0.444444 0.909091
40 BNV 0.444444 0.909091
41 14U 0.444444 0.666667
42 DNN 0.444444 0.6
43 RCL 0.425532 0.8
44 5UF 0.416667 0.769231
45 HOC 0.411765 0.8
46 HXD 0.405405 0.769231
47 FTT 0.405405 0.769231
48 ODT 0.404762 0.73913
49 IKT 0.4 0.62069
50 ACD 0.4 0.869565
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5XNA; Ligand: SHV; Similar sites found with APoc: 239
This union binding pocket(no: 1) in the query (biounit: 5xna.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZDT PEF None
2 4QJR PIZ None
3 2UXI G50 None
4 4OAR 2S0 None
5 1SR7 MOF None
6 2LBD REA None
7 1FCZ 156 None
8 5HVA DUP None
9 2Z77 HE7 None
10 5UGW GSH None
11 4BQS ADP None
12 4BQS K2Q None
13 3R1V AZB None
14 4J7U YTZ 1.38889
15 4J7U NAP 1.38889
16 1G2N EPH 1.44928
17 6AYI C3G 1.44928
18 2R40 EPH 2.17391
19 2AX9 BHM 2.17391
20 2P4Y C03 2.17391
21 3V49 PK0 2.17391
22 1UOU CMU 2.17391
23 2V1O COA 2.17391
24 4AZP A9M 2.89855
25 6AD9 KK4 2.89855
26 4LPG 1MV 2.89855
27 1DTL BEP 2.89855
28 3KFC 61X 2.89855
29 1PZG A3D 2.89855
30 4DK7 0KS 2.89855
31 5JF2 SF7 2.89855
32 6F68 GSH 3.25203
33 6F68 4EU 3.25203
34 5D48 L96 3.62319
35 1YP0 PEF 3.62319
36 2Q2Y MKR 3.62319
37 2Q2Y ADP 3.62319
38 4Q9M FPP 3.62319
39 5EXW 7DT 3.62319
40 3IQE F42 3.62319
41 4TWP AXI 3.62319
42 3PPM JG1 3.62319
43 5EEH SAH 3.62319
44 4Q9M 2ZW 3.62319
45 5EKO N17 3.62319
46 3IQE H4M 3.62319
47 5FP4 YC8 3.62319
48 4D7M TDC 3.62319
49 2NNQ T4B 3.81679
50 3R9C ECL 4.34783
51 1O7Q UDP 4.34783
52 3SP6 IL2 4.34783
53 3QM1 ZYC 4.34783
54 3KDU NKS 4.34783
55 5OBY ANP 4.34783
56 5O9X G16 4.34783
57 1DB1 VDX 4.34783
58 4PJT 2YQ 4.34783
59 5EP2 AZU 4.34783
60 5UI2 EQ3 4.34783
61 3C8Z 5CA 4.34783
62 4BFW ZVW 4.34783
63 1OLM VTQ 4.34783
64 2BHW NEX 4.34783
65 3FS1 MYR 4.34783
66 2JC9 ADN 4.34783
67 4QOM PYG 4.34783
68 1O6U PLM 4.34783
69 1ZGA HMK 4.34783
70 5MHB PBG 4.93827
71 1YMT DR9 5.07246
72 2BUP ATP 5.07246
73 2BUP ADP 5.07246
74 2XCM ADP 5.07246
75 1MV8 NAD 5.07246
76 1MUU NAD 5.07246
77 5AZC PGT 5.07246
78 3COW 52H 5.07246
79 4ONA UW1 5.07246
80 2F5T MAL 5.07246
81 2ZYJ PGU 5.07246
82 3ZDS OMD 5.07246
83 1W2D 4IP 5.07246
84 4IVG ANP 5.07246
85 5VN0 NAI 5.7971
86 1UDY CS8 5.7971
87 3QCJ NX4 5.7971
88 1BRW URA 5.7971
89 5DF1 58X 5.7971
90 5DF1 NAP 5.7971
91 3KJS DQ1 5.7971
92 2HPS CTZ 5.7971
93 1FCH TYR GLN SER LYS LEU 5.7971
94 5Z1N PEF 6.52174
95 1YYE 196 6.52174
96 3EYK EYK 6.52174
97 1U3R 338 6.52174
98 5FUS DAO 6.52174
99 6CB2 OLC 6.52174
100 2I0G I0G 6.52174
101 4J24 EST 6.52174
102 4QMN DB8 6.52174
103 4J26 EST 6.52174
104 2H7C COA 6.52174
105 5KBF CMP 6.52174
106 2YJD YJD 6.52174
107 2E9L PLM 6.52174
108 5F3I 5UJ 6.52174
109 4H07 IPH 6.52174
110 1RQ2 CIT 6.52174
111 4F06 PHB 6.52174
112 4E2J MOF 7.24638
113 1XVB BHL 7.24638
114 1M2Z DEX 7.24638
115 4S15 4D8 7.24638
116 3BQD DAY 7.24638
117 3LN0 52B 7.24638
118 5MLR GRQ 7.24638
119 2R2N PMP 7.24638
120 2R2N KYN 7.24638
121 5G5W R8C 7.24638
122 1ZPD CIT 7.24638
123 3HLX PQQ 7.24638
124 1UHK CZN 7.24638
125 3SAO NKN 7.24638
126 1KQW RTL 7.46269
127 2OO8 RAJ 7.88644
128 3EM0 CHD 7.97101
129 2BJ4 OHT 7.97101
130 3ZVS MLI 7.97101
131 5AAV GW5 7.97101
132 4NM5 ADP 7.97101
133 1HG4 LPP 7.97101
134 2V7Y ADP 7.97101
135 5DX3 EST 7.97101
136 5FM0 WAQ 7.97101
137 1DZK PRZ 7.97101
138 5DXG EST 7.97101
139 5DXE EST 7.97101
140 2AEL SAZ 7.97101
141 5CXI 5TW 7.97101
142 5HYR EST 7.97101
143 3EKK GS2 8.69565
144 1Y0G 8PP 8.69565
145 2YFB SIN 8.69565
146 1NOW IFG 8.69565
147 2VAT COA 8.69565
148 3KDJ A8S 8.69565
149 1NP0 NGT 8.69565
150 5UWA 8ND 8.69565
151 3H0A 9RA 8.69565
152 4LBP 1WG 9
153 2PRG BRL 9.09091
154 3ROE THM 9.42029
155 5DRB 5FJ 9.42029
156 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 9.42029
157 2P7Q GG6 9.77444
158 4ORM 2V6 10.1449
159 4ORM ORO 10.1449
160 4ORM FMN 10.1449
161 1TCO FK5 10.1449
162 3RDE OYP 10.1449
163 3SCM LGN 10.1449
164 5AJP UDP 10.1449
165 5APK 76E 10.8696
166 5IXK 6EW 10.8696
167 3STD MQ0 10.8696
168 5UC9 MYR 11.0619
169 5NTW 98N 11.5942
170 5AR0 GB8 11.5942
171 5OBU ANP 11.5942
172 3RGA ILD 11.5942
173 3WCA FPS 11.5942
174 5HZ5 65X 11.9403
175 1J78 VDY 12.3188
176 6G3R ADP 12.3188
177 4Q0A 4OA 12.3188
178 5XPL 8C9 12.3188
179 2GCE RFC 13.0435
180 2GCE SFC 13.0435
181 2Q0D ATP 13.7681
182 1T0S BML 14.4928
183 5AG3 3EB 14.4928
184 3ETG GTP 14.4928
185 3QUZ QUV 14.4928
186 2Q1H AS4 14.4928
187 5W7B PA1 PO4 FTT FTT GCS FTT PO4 KDO MYR 15.2174
188 4QGE 35O 15.2174
189 4P6X HCY 15.942
190 2DYR PGV 16.3265
191 2DYS PGV 16.3265
192 5Z84 PEK 16.3265
193 5ZCO PGV 16.3265
194 2DYS PSC 16.3265
195 5Z84 PGV 16.3265
196 5ZCO TGL 16.3265
197 2W9S TOP 16.6667
198 3RY9 1CA 16.6667
199 5MWY YNU 17.3913
200 5L7G 6QE 17.3913
201 2A3I C0R 17.3913
202 5HCV 60R 17.3913
203 3D78 NBB 17.6471
204 2YAY DUP 18.8406
205 5ESO ISC 21.7391
206 5ESO TDP 21.7391
207 5UNJ RJW 22.4638
208 1YOK P6L 22.4638
209 1YUC EPH 22.4638
210 1ZDU P3A 22.4638
211 5BYK OAQ 22.4638
212 5BYK A3P 22.4638
213 1QY1 PRZ 24.1379
214 5V13 JH3 28.2609
215 5JZI LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL 28.2609
216 4DL8 UMP AF3 PO4 28.2609
217 5BVT PAM 30.597
218 3ET3 ET1 31.25
219 3WBG 2AN 31.8841
220 1RDT 570 32
221 1FM9 9CR 32
222 1FM9 570 32
223 1RDT L79 32
224 5HZ9 5M8 32.5926
225 2HFP NSI 38.0952
226 5LJB RTL 39.2593
227 2FR3 REA 40.146
228 1OPB RET 41.791
229 3OLL EST 42.1053
230 4QYN RTL 42.8571
231 1MDC PLM 43.1818
232 5BVS EIC 44.697
233 2QM9 TDZ 45.6522
234 2QO4 CHD 46.8254
235 1LFO OLA 47.6562
236 1FDQ HXA 48.0916
237 1VYF OLA 48.1481
238 2FTB OLA 49.6
239 1TW4 CHD 49.6
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