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 1610 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 1331 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 1144 families.
1 5XNA - SHV C7 H14 O2 CCCCCCC(=O....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SHV; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 SHV 1 1
2 OCA 0.869565 0.952381
3 PLM 0.833333 0.952381
4 DCR 0.833333 0.952381
5 EW8 0.833333 0.952381
6 X90 0.833333 0.952381
7 STE 0.833333 0.952381
8 TDA 0.833333 0.952381
9 F23 0.833333 0.952381
10 F15 0.833333 0.952381
11 KNA 0.833333 0.952381
12 DAO 0.833333 0.952381
13 MYR 0.833333 0.952381
14 11A 0.833333 0.952381
15 DKA 0.833333 0.952381
16 6NA 0.782609 0.95
17 PML 0.681818 0.625
18 KTC 0.666667 0.833333
19 AZ1 0.652174 0.6
20 LEA 0.652174 0.85
21 PAM 0.606061 0.909091
22 VCA 0.606061 0.909091
23 NER 0.606061 0.909091
24 OLA 0.606061 0.909091
25 ELA 0.606061 0.909091
26 MYZ 0.529412 0.863636
27 BUA 0.521739 0.7
28 ODD 0.513514 0.869565
29 3LA 0.5 0.76
30 BRC 0.5 0.625
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 DNN 0.444444 0.6
39 D0G 0.444444 0.909091
40 BMJ 0.444444 0.909091
41 BNV 0.444444 0.909091
42 14U 0.444444 0.666667
43 RCL 0.425532 0.8
44 5UF 0.416667 0.769231
45 HOC 0.411765 0.8
46 FTT 0.405405 0.769231
47 HXD 0.405405 0.769231
48 T4T 0.405405 0.76
49 ODT 0.404762 0.73913
50 IKT 0.4 0.62069
51 ITY 0.4 0.8
52 CWL 0.4 0.62069
53 ACD 0.4 0.869565
Similar Ligands (3D)
Ligand no: 1; Ligand: SHV; Similar ligands found: 259
No: Ligand Similarity coefficient
1 KQY 0.9946
2 AG2 0.9940
3 N6C 0.9856
4 HPN 0.9839
5 ACA 0.9726
6 6XA 0.9681
7 ORN 0.9609
8 HTX 0.9582
9 MHN 0.9542
10 16D 0.9536
11 GUA 0.9522
12 MLZ 0.9507
13 GLU 0.9486
14 KMT 0.9471
15 SHO 0.9471
16 HE4 0.9464
17 MET 0.9458
18 011 0.9452
19 OCT 0.9425
20 DLY 0.9407
21 0L1 0.9407
22 DGL 0.9407
23 GLY GLY 0.9406
24 LYS 0.9402
25 BHL BHL 0.9400
26 BHL 0.9400
27 LYN 0.9389
28 650 0.9389
29 AKG 0.9389
30 B3M 0.9386
31 PG0 0.9378
32 NSD 0.9377
33 7BC 0.9362
34 IXW 0.9325
35 0VT 0.9323
36 MED 0.9322
37 AE3 0.9319
38 OC9 0.9319
39 DE5 0.9315
40 ONH 0.9309
41 OGA 0.9298
42 5XA 0.9295
43 NLE 0.9290
44 S8V 0.9288
45 GLN 0.9285
46 NF3 0.9276
47 49F 0.9269
48 KMH 0.9266
49 2IT 0.9262
50 7C3 0.9256
51 98J 0.9252
52 URP 0.9250
53 DGN 0.9248
54 DAV 0.9244
55 GPJ 0.9230
56 SIN 0.9221
57 OYA 0.9215
58 OEG 0.9211
59 UN1 0.9209
60 ENW 0.9202
61 7XA 0.9187
62 S2G 0.9174
63 3S5 0.9174
64 BNF 0.9173
65 VKC 0.9172
66 GPF 0.9168
67 M1T 0.9161
68 OKG 0.9155
69 BHH 0.9151
70 SSB 0.9149
71 PJL 0.9148
72 CCE 0.9148
73 G3H 0.9140
74 2HG 0.9139
75 3OL 0.9139
76 I38 0.9138
77 AHN 0.9135
78 4SD 0.9135
79 1GP 0.9134
80 4LR 0.9130
81 HSE 0.9125
82 SD4 0.9122
83 TEG 0.9121
84 URO 0.9121
85 OOG 0.9115
86 9J3 0.9111
87 9ON 0.9106
88 PRA 0.9106
89 NYL 0.9104
90 NM3 0.9103
91 HP6 0.9102
92 266 0.9097
93 MSE 0.9097
94 AT3 0.9096
95 HSO 0.9095
96 SLZ 0.9093
97 PGH 0.9084
98 DIR 0.9084
99 3YP 0.9082
100 HCS 0.9081
101 MPJ 0.9077
102 HE2 0.9076
103 NLP 0.9076
104 ONL 0.9075
105 9X7 0.9075
106 13P 0.9070
107 64Z 0.9069
108 FOM 0.9065
109 AJ3 0.9064
110 3HG 0.9062
111 8GL 0.9062
112 9X6 0.9061
113 1SH 0.9060
114 NMH 0.9060
115 2FM 0.9058
116 MEQ 0.9058
117 2CO 0.9056
118 GOJ 0.9053
119 XLS 0.9053
120 GP9 0.9052
121 268 0.9051
122 MUC 0.9051
123 GGL 0.9048
124 LUQ 0.9047
125 NVA 0.9043
126 CLT 0.9041
127 ENV 0.9031
128 X1R 0.9030
129 7UC 0.9029
130 11C 0.9024
131 GVA 0.9021
132 NWH 0.9020
133 G3P 0.9018
134 M3P 0.9017
135 CCD 0.9015
136 ARG 0.9013
137 XUL 0.9013
138 8EW 0.9010
139 PSE 0.9008
140 DAL DAL 0.9005
141 DHM 0.9001
142 4TB 0.9000
143 264 0.9000
144 RB5 0.9000
145 LEU 0.8995
146 NTU 0.8992
147 SYM 0.8991
148 TIU 0.8989
149 3OM 0.8988
150 GRQ 0.8988
151 O8Y 0.8988
152 7OD 0.8979
153 8SZ 0.8978
154 3PG 0.8978
155 SKJ 0.8977
156 SME 0.8968
157 CHH 0.8967
158 PBN 0.8966
159 258 0.8964
160 FUM 0.8963
161 ZGL 0.8961
162 CYX 0.8945
163 1SA 0.8943
164 SPD 0.8938
165 Q9Z 0.8938
166 DZA 0.8924
167 HGA 0.8923
168 SEP 0.8920
169 1HS 0.8918
170 QFJ 0.8918
171 LTL 0.8917
172 K6V 0.8909
173 129 0.8909
174 MHO 0.8908
175 HPL 0.8907
176 AL0 0.8905
177 152 0.8903
178 RTK 0.8893
179 HL5 0.8892
180 KPC 0.8891
181 DIA 0.8885
182 3H2 0.8881
183 MEV 0.8881
184 9GB 0.8879
185 IP8 0.8876
186 HPO 0.8873
187 RUJ 0.8863
188 YIV 0.8862
189 9YT 0.8858
190 XRG 0.8856
191 NM2 0.8853
192 1KA 0.8849
193 PRO GLY 0.8844
194 Q07 0.8840
195 D10 0.8840
196 LT1 0.8838
197 M45 0.8838
198 6JN 0.8837
199 N4B 0.8836
200 PO6 0.8832
201 O45 0.8829
202 BHU 0.8829
203 5XB 0.8828
204 2FT 0.8824
205 MPH 0.8817
206 CUW 0.8816
207 MSL 0.8816
208 TIH 0.8812
209 FK8 0.8809
210 COI 0.8807
211 UGC 0.8802
212 GAB 0.8798
213 KDG 0.8796
214 ODI 0.8784
215 5XC 0.8783
216 3LR 0.8776
217 GLY ALA 0.8775
218 SSC 0.8769
219 N8C 0.8766
220 DAR 0.8748
221 ILO 0.8747
222 NPI 0.8742
223 E4P 0.8740
224 HL4 0.8734
225 GGB 0.8732
226 OW4 0.8731
227 MF3 0.8731
228 PG3 0.8724
229 DLT 0.8709
230 DII 0.8709
231 1H1 0.8701
232 LPA 0.8693
233 263 0.8689
234 CXP 0.8684
235 CIR 0.8682
236 RJY 0.8678
237 N9J 0.8658
238 ACH 0.8654
239 2JJ 0.8653
240 MD0 0.8650
241 ALA ALA 0.8650
242 MLY 0.8648
243 HBU 0.8644
244 1CO 0.8636
245 GVM 0.8635
246 NOT 0.8632
247 A8C 0.8625
248 MAH 0.8618
249 FXY 0.8612
250 3SS 0.8612
251 2RH 0.8607
252 M44 0.8574
253 3MB 0.8572
254 GLY GLY GLY 0.8565
255 CSS 0.8545
256 1N5 0.8542
257 NNH 0.8535
258 OSE 0.8527
259 LY0 0.8523
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: 2
This union binding pocket(no: 1) in the query (biounit: 5xna.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 4AZP A9M 2.89855
2 3WBG 2AN 31.8841
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