Receptor
PDB id Resolution Class Description Source Keywords
1ML3 2.5 Å EC: 1.2.1.12 EVIDENCES FOR A FLIP-FLOP CATALYTIC MECHANISM OF TRYPANOSOMA CRUZI GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE,F ROM ITS CRYSTAL STRUCTURE IN COMPLEX WITH REACTED IR REVERSIBLE INHIBITOR 2-(2-PHOSPHONO-ETHYL)-ACRYLIC ACID 4-N ITRO-PHENYL ESTER TRYPANOSOMA CRUZI PROTEIN COVALENT-INHIBITOR COMPLEX OXIDOREDUCTASE
Ref.: EVIDENCE FOR THE TWO PHOSPHATE BINDING SITES OF AN ANALOGUE OF THE THIOACYL INTERMEDIATE FOR THE TRYPANOSOMA CRUZI GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE-CATALYZED REACTION, FROM ITS CRYSTAL STRUCTURE. BIOCHEMISTRY V. 42 7143 200
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CYX B:1166;
C:2166;
D:3166;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
164.096 C5 H9 O4 P C=C(C...
NAD B:1362;
C:1360;
D:1361;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1K3T 1.95 Å EC: 1.2.1.12 STRUCTURE OF GLYCOSOMAL GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE FROM TRYPANOSOMA CRUZI COMPLEXED WITH C HALEPIN, A COUMARIN DERIVATIVE INHIBITOR TRYPANOSOMA CRUZI APO-PROTEIN GGAPDH-CHALEPIN COMPLEX GLYCOSOME TRYPANOSOMA CRUZI OXIDOREDUCTASE
Ref.: STRUCTURE OF TRYPANOSOMA CRUZI GLYCOSOMAL GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE COMPLEXED WITH CHALEPIN, A NATURAL PRODUCT INHIBITOR, AT 1.95 A RESOLUTION. FEBS LETT. V. 520 13 2002
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 1K3T ic50 = 64 uM BRZ C19 H22 O4 CC(C)(C=C)....
2 1ML3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (43)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1CER - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1HDG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 5JYE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 5JY6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 4QX6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 1DSS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 2D2I - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 3L4S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 3LVF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 3LC1 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
11 3K73 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
12 3KSD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
13 3HQ4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 3K9Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 3KV3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
16 1ML3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
17 6GFR - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
18 6GFP - MLI C3 H2 O4 C(C(=O)[O-....
19 5LD5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
20 3B20 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 4WNC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
22 4O63 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 7C5F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 5UR0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 6ITE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 6FZH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
27 4Z0H - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
28 1DBV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
29 3DBV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
30 1NQA - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 3CMC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
32 1NQO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
33 1NPT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 1GD1 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
35 1NQ5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
36 6X2E - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
37 1RM3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
38 1RM5 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
39 1RM4 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
40 1VSV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 1DC6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
42 1GAE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
43 5ZA0 - GLC GLC n/a n/a
50% Homology Family (62)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1CER - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1HDG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 5JYE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 5JY6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 4QX6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 3V1Y - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 5C7O - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
8 3H9E - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 3PFW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
10 1SZJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
11 1DSS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
12 2D2I - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
13 3L4S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 3LVF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 3LC1 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
16 3K73 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
17 3KSD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
18 3HQ4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 3K9Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
20 3KV3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 1K3T ic50 = 64 uM BRZ C19 H22 O4 CC(C)(C=C)....
22 1ML3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 6GFR - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 6GFP - MLI C3 H2 O4 C(C(=O)[O-....
25 5LD5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
26 3B20 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
27 4O59 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
28 1J0X Kd = 0.01 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
29 1ZNQ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
30 1U8F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 4WNI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
32 4WNC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
33 4O63 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 7C5F - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
35 5UR0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
36 6ITE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
37 6FZH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
38 4Z0H - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 2DBV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
40 4DBV - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
41 1DBV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
42 3DBV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
43 1NQA - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 3CMC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 1NQO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 1NPT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 1GD1 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
48 1NQ5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
49 6WYC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50 6X2E - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
51 2B4R - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
52 2B4T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
53 2PKR - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
54 1RM3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
55 1RM5 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
56 1RM4 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
57 3CIF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 1VSV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 1GAD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
60 1DC6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
61 1GAE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
62 5ZA0 - GLC GLC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: CYX; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 CYX 1 1
2 3PP 0.4 0.78125
Ligand no: 2; Ligand: NAD; Similar ligands found: 251
No: Ligand ECFP6 Tc MDL keys Tc
1 NAD IBO 0.885714 0.985915
2 NAD TDB 0.885714 0.985915
3 A3D 0.872727 0.986111
4 NHD 0.821429 0.972222
5 NAP 0.811966 0.986111
6 NFD 0.791304 0.946667
7 DND 0.765766 0.972603
8 AMP NAD 0.74359 0.972222
9 ZID 0.737705 0.986111
10 NAQ 0.729508 0.934211
11 NAE 0.721311 0.959459
12 NA0 0.712 0.972603
13 TAP 0.704 0.921053
14 NDE 0.689922 0.972603
15 NAJ 0.683333 0.972222
16 NDC 0.679389 0.934211
17 NDO 0.674603 0.958904
18 N01 0.656 0.972222
19 CNA 0.642276 0.972603
20 NBP 0.621212 0.922078
21 NAD BBN 0.609929 0.876543
22 8ID 0.609756 0.922078
23 NAD CJ3 0.601399 0.845238
24 ADP MG 0.584906 0.957747
25 ADP BEF 0.584906 0.957747
26 A2D 0.576923 0.958333
27 ADP 0.575472 0.931507
28 NGD 0.574803 0.922078
29 BA3 0.566038 0.958333
30 NAD NDT 0.565789 0.755319
31 M33 0.564815 0.918919
32 ADP PO3 0.563636 0.957747
33 ATP MG 0.563636 0.957747
34 AP5 0.560748 0.958333
35 B4P 0.560748 0.958333
36 BEF ADP 0.558559 0.931507
37 VO4 ADP 0.557522 0.932432
38 AT4 0.555556 0.894737
39 AN2 0.555556 0.918919
40 GAP 0.553571 0.932432
41 OOB 0.551724 0.972222
42 CA0 0.550459 0.932432
43 9JJ 0.546053 0.898734
44 ATP 0.545455 0.931507
45 HEJ 0.545455 0.931507
46 ACP 0.545455 0.906667
47 KG4 0.545455 0.932432
48 DQV 0.544 0.972222
49 ALF ADP 0.54386 0.883117
50 ANP MG 0.54386 0.945205
51 DAL AMP 0.543103 0.945205
52 8LQ 0.543103 0.92
53 AQP 0.540541 0.931507
54 APR 0.540541 0.931507
55 AR6 0.540541 0.931507
56 5FA 0.540541 0.931507
57 AGS 0.535714 0.883117
58 AD9 0.535714 0.906667
59 WAQ 0.533333 0.896104
60 ABM 0.53271 0.905405
61 45A 0.53271 0.905405
62 QA7 0.529915 0.907895
63 DLL 0.529412 0.972222
64 00A 0.529412 0.921053
65 AMP MG 0.528302 0.943662
66 ANP 0.526316 0.906667
67 NJP 0.526316 0.959459
68 ACQ 0.526316 0.906667
69 OAD 0.525 0.932432
70 ADX 0.522523 0.839506
71 8LE 0.521739 0.907895
72 5AL 0.521739 0.945205
73 A1R 0.521008 0.871795
74 9SN 0.520325 0.909091
75 A 0.518868 0.930556
76 AMP 0.518868 0.930556
77 50T 0.517857 0.893333
78 ATF 0.517241 0.894737
79 3OD 0.516393 0.932432
80 1ZZ 0.516393 0.851852
81 SON 0.513514 0.92
82 PRX 0.513274 0.881579
83 SRP 0.512821 0.92
84 8LH 0.512821 0.92
85 6YZ 0.512821 0.906667
86 3UK 0.512397 0.958904
87 9X8 0.512397 0.883117
88 ADP BMA 0.512397 0.932432
89 MYR AMP 0.512195 0.851852
90 NAJ PZO 0.510949 0.909091
91 NMN 0.509434 0.875
92 HQG 0.508475 0.918919
93 A3R 0.508333 0.871795
94 B5V 0.508197 0.945946
95 AMP DBH 0.507937 0.906667
96 A22 0.504202 0.945205
97 JNT 0.504132 0.906667
98 FA5 0.504 0.945946
99 ATP A 0.504 0.971831
100 ATP A A A 0.504 0.971831
101 B5M 0.504 0.933333
102 8QN 0.5 0.945205
103 NAX 0.496183 0.886076
104 PR8 0.495935 0.8625
105 ADQ 0.495868 0.932432
106 AMO 0.495868 0.92
107 4AD 0.495868 0.933333
108 PAJ 0.495868 0.873418
109 V2G 0.495726 0.884615
110 APC MG 0.495652 0.931507
111 A12 0.495495 0.894737
112 AP2 0.495495 0.894737
113 ALF ADP 3PG 0.492424 0.873418
114 AHZ 0.492308 0.851852
115 FYA 0.491935 0.918919
116 AHX 0.491803 0.884615
117 4UU 0.488372 0.933333
118 5SV 0.487603 0.8375
119 T99 0.487179 0.894737
120 TAT 0.487179 0.894737
121 APC 0.486957 0.894737
122 SRA 0.486239 0.881579
123 6V0 0.484848 0.909091
124 NAI 0.484848 0.921053
125 GTA 0.484615 0.898734
126 LAD 0.483871 0.873418
127 AU1 0.482456 0.906667
128 F2R 0.481752 0.831325
129 TXE 0.481203 0.921053
130 OMR 0.481203 0.841463
131 AF3 ADP 3PG 0.481203 0.873418
132 LAQ 0.480916 0.851852
133 G3A 0.48062 0.909091
134 B5Y 0.480315 0.933333
135 NB8 0.48 0.884615
136 TXA 0.48 0.92
137 BIS 0.48 0.871795
138 PTJ 0.48 0.884615
139 ME8 0.48 0.851852
140 139 0.477941 0.886076
141 LPA AMP 0.477273 0.851852
142 G5P 0.476923 0.909091
143 AFH 0.476923 0.873418
144 AR6 AR6 0.476923 0.958333
145 ARG AMP 0.476923 0.841463
146 25L 0.47619 0.945205
147 NAJ PYZ 0.475524 0.864198
148 9ZA 0.47541 0.896104
149 9ZD 0.47541 0.896104
150 OZV 0.47541 0.931507
151 25A 0.47541 0.958333
152 DZD 0.47482 0.897436
153 TXD 0.473684 0.921053
154 4UV 0.472868 0.933333
155 TYM 0.470149 0.945946
156 ADV 0.470085 0.894737
157 RBY 0.470085 0.894737
158 A7R 0.469231 0.857143
159 KMQ 0.46875 0.894737
160 4TA 0.467626 0.864198
161 48N 0.466165 0.884615
162 XAH 0.465116 0.851852
163 4UW 0.462687 0.897436
164 M24 0.461538 0.886076
165 80F 0.460993 0.853659
166 IOT 0.459854 0.821429
167 T5A 0.456522 0.853659
168 L3W 0.455882 0.92
169 EAD 0.455782 0.886076
170 MAP 0.455285 0.883117
171 GA7 0.454545 0.894737
172 BT5 0.453901 0.821429
173 A4P 0.452555 0.833333
174 UP5 0.451852 0.933333
175 PAP 0.445378 0.917808
176 AP0 0.445255 0.884615
177 4TC 0.445255 0.909091
178 YLP 0.444444 0.831325
179 P1H 0.443709 0.864198
180 AOC 0.442478 0.810811
181 Z5A 0.439189 0.833333
182 LMS 0.4375 0.817073
183 2A5 0.436975 0.857143
184 COD 0.43662 0.802326
185 ADJ 0.435714 0.841463
186 YLC 0.434783 0.851852
187 YLB 0.434783 0.831325
188 ATR 0.433333 0.90411
189 7MD 0.432836 0.851852
190 8X1 0.432 0.764045
191 G5A 0.429752 0.790698
192 PO4 PO4 A A A A PO4 0.429688 0.943662
193 TAD 0.42963 0.873418
194 D4F 0.428571 0.875
195 5AS 0.42735 0.770115
196 BTX 0.426573 0.831325
197 YLA 0.425532 0.831325
198 DSZ 0.425197 0.790698
199 NCN 0.424779 0.805556
200 UPA 0.42446 0.921053
201 8PZ 0.424242 0.811765
202 VMS 0.424 0.8
203 54H 0.424 0.8
204 9K8 0.423077 0.744444
205 N0B 0.422819 0.853659
206 6AD 0.422764 0.85
207 AYB 0.422535 0.821429
208 7D3 0.422414 0.844156
209 YLY 0.421769 0.821429
210 TSB 0.420635 0.809524
211 ODP 0.41958 0.922078
212 A5A 0.419355 0.819277
213 FB0 0.419355 0.775281
214 AV2 0.419355 0.855263
215 NNR 0.419048 0.739726
216 LEU LMS 0.418605 0.761364
217 649 0.417266 0.775281
218 H1Q 0.416667 0.917808
219 NMN AMP PO4 0.416667 0.933333
220 SSA 0.416 0.790698
221 P5A 0.415385 0.755556
222 LSS 0.414062 0.772727
223 52H 0.412698 0.790698
224 A2R 0.412698 0.918919
225 JB6 0.412214 0.896104
226 5N5 0.411215 0.783784
227 YSA 0.410448 0.811765
228 B1U 0.410448 0.786517
229 53H 0.409449 0.790698
230 5CA 0.409449 0.790698
231 ITT 0.408333 0.878378
232 7D4 0.408333 0.844156
233 NA7 0.407692 0.894737
234 5CD 0.407407 0.794521
235 0WD 0.406897 0.909091
236 A3P 0.40678 0.930556
237 HFD 0.406504 0.883117
238 JSQ 0.406504 0.883117
239 AVV 0.40625 0.860759
240 RAB 0.40566 0.808219
241 XYA 0.40566 0.808219
242 ADN 0.40566 0.808219
243 FDA 0.405063 0.823529
244 CUU 0.404959 0.905405
245 V47 0.404762 0.821918
246 GSU 0.40458 0.790698
247 7MC 0.404255 0.831325
248 NSS 0.403101 0.811765
249 6FA 0.402516 0.853659
250 PPS 0.4 0.817073
251 NVA LMS 0.4 0.784091
Similar Ligands (3D)
Ligand no: 1; Ligand: CYX; Similar ligands found: 233
No: Ligand Similarity coefficient
1 13P 0.9819
2 G3P 0.9812
3 129 0.9762
4 PSE 0.9738
5 GP9 0.9725
6 G3H 0.9713
7 SEP 0.9655
8 1GP 0.9637
9 3PG 0.9622
10 MSL 0.9562
11 X1S 0.9530
12 GPJ 0.9497
13 PGA 0.9488
14 HG3 0.9468
15 1SH 0.9431
16 OSE 0.9425
17 4LR 0.9425
18 SPV 0.9412
19 LTL 0.9407
20 9GB 0.9388
21 PPR 0.9387
22 PEP 0.9386
23 GLU 0.9378
24 AT3 0.9336
25 PGH 0.9334
26 HPV 0.9299
27 AKG 0.9296
28 CCD 0.9275
29 7BC 0.9266
30 GPF 0.9256
31 IP8 0.9223
32 PEQ 0.9213
33 0V5 0.9209
34 OGA 0.9207
35 ROR 0.9193
36 E4P 0.9190
37 2HG 0.9185
38 SIN 0.9175
39 1SA 0.9175
40 XYL 0.9166
41 S2G 0.9156
42 GLN 0.9154
43 CCE 0.9149
44 QMP 0.9146
45 GZ3 0.9138
46 B85 0.9121
47 MEQ 0.9117
48 RTK 0.9117
49 RB0 0.9110
50 RB5 0.9110
51 KVV 0.9107
52 EHM 0.9105
53 FUM 0.9103
54 3S5 0.9102
55 MUC 0.9097
56 DQY 0.9095
57 XLS 0.9093
58 LMR 0.9093
59 TAR 0.9086
60 7OD 0.9078
61 FB2 0.9075
62 3SL 0.9070
63 ACA 0.9066
64 OAA 0.9061
65 AMS 0.9059
66 BHH 0.9054
67 NLP 0.9052
68 MAE 0.9045
69 URQ 0.9042
70 DGL 0.9042
71 FOM 0.9038
72 RBL 0.9033
73 HL5 0.9029
74 PAH 0.9026
75 ONL 0.9023
76 4MV 0.9023
77 ACH 0.9017
78 FBW 0.9014
79 HX2 0.9014
80 2IT 0.9013
81 PMB 0.9012
82 GUA 0.9010
83 TPO 0.9009
84 OKG 0.8998
85 GLY GLY 0.8998
86 9ON 0.8998
87 URP 0.8992
88 RNS 0.8983
89 LLQ 0.8982
90 IXW 0.8980
91 98J 0.8972
92 XUL 0.8969
93 PMF 0.8967
94 2PG 0.8963
95 LUQ 0.8962
96 PC 0.8954
97 MJ2 0.8952
98 8K2 0.8950
99 AG2 0.8948
100 SHV 0.8945
101 SRT 0.8941
102 PSJ 0.8938
103 GGL 0.8936
104 650 0.8932
105 0VT 0.8930
106 PLU 0.8928
107 DHM 0.8922
108 A20 0.8918
109 KMH 0.8916
110 DAV 0.8914
111 HYA 0.8911
112 ASP 0.8910
113 SHF 0.8907
114 MES 0.8904
115 2CO 0.8902
116 AL0 0.8899
117 HTX 0.8896
118 ZGL 0.8895
119 MPH 0.8894
120 N6C 0.8892
121 MLT 0.8889
122 PZI 0.8886
123 LYN 0.8885
124 THE 0.8885
125 OPE 0.8883
126 LYS 0.8877
127 DS0 0.8873
128 CHH 0.8873
129 H95 0.8868
130 HBU 0.8867
131 5OY 0.8866
132 9X6 0.8865
133 DIR 0.8864
134 OOG 0.8861
135 2PN 0.8861
136 SOR 0.8851
137 FBU 0.8849
138 FEH 0.8846
139 16D 0.8843
140 FOC 0.8841
141 DLY 0.8841
142 1X4 0.8834
143 7A8 0.8828
144 8GL 0.8823
145 SYM 0.8817
146 HPS 0.8816
147 DZA 0.8814
148 MDN 0.8813
149 3OL 0.8812
150 PAC 0.8805
151 VKC 0.8802
152 HPN 0.8801
153 HSO 0.8800
154 DGN 0.8798
155 DAS 0.8795
156 AOS 0.8794
157 COI 0.8793
158 KPC 0.8789
159 SAN 0.8786
160 PO6 0.8785
161 XIZ 0.8779
162 2FT 0.8777
163 3BU 0.8777
164 ORN 0.8772
165 Q07 0.8769
166 MET 0.8766
167 R9M 0.8762
168 OEG 0.8761
169 XCZ 0.8760
170 SHO 0.8760
171 K6H 0.8757
172 KVP 0.8756
173 6JN 0.8750
174 49F 0.8749
175 2JJ 0.8748
176 2EH 0.8746
177 3HP 0.8745
178 1HS 0.8743
179 KTA 0.8742
180 6NA 0.8741
181 UN1 0.8738
182 PG3 0.8734
183 G2H 0.8734
184 3YP 0.8732
185 TSU 0.8728
186 4J8 0.8725
187 NMG 0.8724
188 GLO 0.8718
189 51R 0.8716
190 URS 0.8713
191 SPA 0.8712
192 QY9 0.8712
193 4NG 0.8711
194 HGA 0.8706
195 OCT 0.8705
196 SYC 0.8701
197 3HG 0.8694
198 MXN 0.8692
199 S8V 0.8692
200 QDK 0.8692
201 FBS 0.8691
202 4SX 0.8685
203 DER 0.8681
204 SOL 0.8676
205 TPA 0.8673
206 TEO 0.8673
207 URO 0.8669
208 PHU 0.8662
209 6OT 0.8652
210 TAG 0.8651
211 EDR 0.8643
212 RAT 0.8639
213 9SE 0.8636
214 7UC 0.8632
215 HCI 0.8631
216 7N0 0.8630
217 RNT 0.8630
218 IZC 0.8628
219 SDD 0.8624
220 NFA 0.8620
221 MAH 0.8611
222 0L1 0.8600
223 NSD 0.8598
224 CXP 0.8598
225 B40 0.8595
226 152 0.8594
227 6XA 0.8594
228 MTL 0.8590
229 TZL 0.8587
230 ITN 0.8568
231 HFA 0.8554
232 ZBT 0.8537
233 11C 0.8505
Ligand no: 2; Ligand: NAD; Similar ligands found: 4
No: Ligand Similarity coefficient
1 NAD 1.0000
2 NDP 0.9403
3 TXP 0.8813
4 NZQ 0.8708
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1K3T; Ligand: BRZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1k3t.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
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