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Receptor
PDB id Resolution Class Description Source Keywords
5ABM 1.7 Å EC: 1.2.1.3 SHEEP ALDEHYDE DEHYDROGENASE 1A1 OVIS ARIES OXIDOREDUCTASE OXIDATION-REDUCTION PROCESS ACTIVITY
Ref.: STRUCTURAL, BIOCHEMICAL, AND COMPUTATIONAL STUDIES THE MECHANISM OF SELECTIVE ALDEHYDE DEHYDROGENASE 1 INHIBITION BY CYTOTOXIC DUOCARMYCIN ANALOGUES. ANGEW.CHEM.INT.ED.ENGL. V. 54 13550 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TXE C:501;
B:501;
D:501;
A:501;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
667.457 C21 H31 N7 O14 P2 c1nc(...
MG A:502;
C:502;
B:502;
D:502;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5L2M 1.7 Å EC: 1.2.1.3 STRUCTURE OF ALDH1A1 IN COMPLEX WITH BUC11 HOMO SAPIENS ALDH1A1 INHIBITOR OXIDOREDUCTASE-OXIDOREDUCTASE INIHBITOR C
Ref.: INHIBITION OF THE ALDEHYDE DEHYDROGENASE 1/2 FAMILY PSORALEN AND COUMARIN DERIVATIVES. J. MED. CHEM. V. 60 2439 2017
Members (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5AC1 - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
2 5L2O ic50 = 0.76 uM 6ZW C14 H17 N O2 CCN(CC)c1c....
3 5L2N ic50 = 2.8 uM 6ZU C18 H16 O5 S CC1=C(C(=O....
4 1BXS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 5ABM - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
6 5L2M Ki = 170 nM 6ZY C22 H25 N O4 Cc1c(oc2c1....
7 4X4L ic50 = 4.6 uM 3XG C21 H25 N3 O3 S2 CCOC(=O)CS....
8 5AC0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 4WP7 ic50 = 0.8 uM 3SR C22 H30 N6 O4 CC(C)CCn1c....
10 4WB9 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
11 4WPN ic50 = 0.21 uM 3ST C19 H30 N6 O3 CC(C)CCn1c....
12 5AC2 - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
70% Homology Family (32)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5AC1 - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
2 5L2O ic50 = 0.76 uM 6ZW C14 H17 N O2 CCN(CC)c1c....
3 5L2N ic50 = 2.8 uM 6ZU C18 H16 O5 S CC1=C(C(=O....
4 1BXS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 5ABM - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
6 5L2M Ki = 170 nM 6ZY C22 H25 N O4 Cc1c(oc2c1....
7 4X4L ic50 = 4.6 uM 3XG C21 H25 N3 O3 S2 CCOC(=O)CS....
8 5AC0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 4WP7 ic50 = 0.8 uM 3SR C22 H30 N6 O4 CC(C)CCn1c....
10 4WB9 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
11 4WPN ic50 = 0.21 uM 3ST C19 H30 N6 O3 CC(C)CCn1c....
12 5AC2 - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
13 1O01 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 2ONM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 2VLE - DZN C21 H20 O9 c1cc(ccc1C....
16 3INL - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
17 3SZ9 - I3E C11 H14 O CCc1ccc(cc....
18 4FR8 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 1O04 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
20 3INJ - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
21 2ONP - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
22 1O02 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
23 5L13 Ki = 19 nM 6ZE C17 H18 O3 CCCC1=C(c2....
24 1NZX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 4KWG ic50 = 2.4 uM 2AK C9 H6 Br N O2 Cc1cc2c(c(....
26 4KWF ic50 = 82 uM 3AK C15 H11 N O2 c1ccc(cc1)....
27 4FQF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
28 1NZZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
29 1O9J - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
30 6ALJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 6B5G Kd = 0.26 uM CQY C21 H26 N4 O4 S CCOc1ccsc1....
32 6B5H Kd = 1.1 uM CU4 C24 H17 F N4 O3 S CS(=O)(=O)....
50% Homology Family (63)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5AC1 - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
2 5L2O ic50 = 0.76 uM 6ZW C14 H17 N O2 CCN(CC)c1c....
3 5L2N ic50 = 2.8 uM 6ZU C18 H16 O5 S CC1=C(C(=O....
4 1BXS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 5ABM - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
6 5L2M Ki = 170 nM 6ZY C22 H25 N O4 Cc1c(oc2c1....
7 4X4L ic50 = 4.6 uM 3XG C21 H25 N3 O3 S2 CCOC(=O)CS....
8 5AC0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 4WP7 ic50 = 0.8 uM 3SR C22 H30 N6 O4 CC(C)CCn1c....
10 4WB9 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
11 4WPN ic50 = 0.21 uM 3ST C19 H30 N6 O3 CC(C)CCn1c....
12 5AC2 - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
13 4I9B - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 4I3X - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
15 5N5S Kd = 31 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
16 4PZ2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
17 1WNB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
18 3IWK - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 4A0M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
20 4GNZ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
21 3RHR Kd = 5.7 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
22 3RHJ Kd = 0.0073 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
23 4GO2 - TAP C21 H28 N7 O16 P3 S c1cc(c[n+]....
24 2O2R - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
25 3RHL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
26 3RHO Kd = 0.26 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
27 3RHQ Kd = 9.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
28 2O2Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
29 3JZ4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
30 1O01 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 2ONM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
32 2VLE - DZN C21 H20 O9 c1cc(ccc1C....
33 3INL - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
34 3SZ9 - I3E C11 H14 O CCc1ccc(cc....
35 4FR8 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
36 1O04 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
37 3INJ - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
38 2ONP - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 1O02 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 5L13 Ki = 19 nM 6ZE C17 H18 O3 CCCC1=C(c2....
41 1NZX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
42 4KWG ic50 = 2.4 uM 2AK C9 H6 Br N O2 Cc1cc2c(c(....
43 4KWF ic50 = 82 uM 3AK C15 H11 N O2 c1ccc(cc1)....
44 4FQF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 1NZZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 5X5U - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 2W8Q - SIN C4 H6 O4 C(CC(=O)O)....
48 2W8R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
49 1UXV - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50 1UXR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
51 1UXQ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
52 2IMP - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
53 3ZQA - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
54 2WOX - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
55 5IUW - IAC C10 H9 N O2 c1ccc2c(c1....
56 5IUV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
57 1O9J - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 4I8P - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 3IWJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
60 1T90 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
61 6ALJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
62 6B5G Kd = 0.26 uM CQY C21 H26 N4 O4 S CCOc1ccsc1....
63 6B5H Kd = 1.1 uM CU4 C24 H17 F N4 O3 S CS(=O)(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TXE; Similar ligands found: 252
No: Ligand ECFP6 Tc MDL keys Tc
1 TXE 1 1
2 6V0 0.6875 0.961039
3 TXD 0.6875 0.973684
4 A2D 0.652632 0.933333
5 NAI 0.62931 0.948052
6 BA3 0.622449 0.933333
7 B4P 0.616162 0.933333
8 AP5 0.616162 0.933333
9 AR6 0.607843 0.907895
10 APR 0.607843 0.907895
11 AP0 0.605042 0.911392
12 NAX 0.601695 0.9125
13 ADP 0.6 0.907895
14 ATP 0.598039 0.907895
15 HEJ 0.598039 0.907895
16 AN2 0.594059 0.896104
17 AT4 0.594059 0.873418
18 AQP 0.592233 0.907895
19 5FA 0.592233 0.907895
20 M33 0.588235 0.896104
21 CA0 0.588235 0.909091
22 AD9 0.586538 0.884615
23 SAP 0.586538 0.8625
24 AGS 0.586538 0.8625
25 ACP 0.582524 0.884615
26 A1R 0.581818 0.898734
27 A3R 0.581818 0.898734
28 A22 0.577982 0.921053
29 ADJ 0.577236 0.890244
30 3OD 0.575221 0.909091
31 UP5 0.575 0.960526
32 OAD 0.571429 0.909091
33 5AL 0.570093 0.896104
34 4AD 0.567568 0.886076
35 80F 0.566929 0.879518
36 PRX 0.561905 0.860759
37 ANP 0.560748 0.884615
38 ACQ 0.560748 0.884615
39 SRP 0.559633 0.873418
40 ADX 0.557692 0.821429
41 9X8 0.557522 0.8625
42 A 0.555556 0.881579
43 AMP 0.555556 0.881579
44 4TC 0.552846 0.935897
45 PR8 0.552632 0.865854
46 50T 0.552381 0.871795
47 ATF 0.550459 0.873418
48 AHX 0.548673 0.864198
49 TXP 0.547619 0.961039
50 6YZ 0.545455 0.884615
51 8QN 0.544643 0.896104
52 OOB 0.544643 0.921053
53 48N 0.540984 0.864198
54 ADQ 0.539823 0.909091
55 PAJ 0.539823 0.853659
56 AMO 0.539823 0.897436
57 ABM 0.539216 0.858974
58 LAD 0.53913 0.853659
59 DQV 0.53719 0.946667
60 NXX 0.536585 0.922078
61 DND 0.536585 0.922078
62 DLL 0.535088 0.921053
63 00A 0.535088 0.875
64 ME8 0.534483 0.811765
65 TXA 0.534483 0.897436
66 EAD 0.533333 0.9125
67 3UK 0.530435 0.909091
68 25L 0.529915 0.921053
69 XAH 0.529412 0.833333
70 AP2 0.528846 0.873418
71 A12 0.528846 0.873418
72 B5V 0.525862 0.897436
73 WAQ 0.525862 0.875
74 9SN 0.525424 0.864198
75 CNA 0.523438 0.922078
76 BIS 0.521368 0.851852
77 1ZZ 0.521368 0.833333
78 PTJ 0.521368 0.841463
79 NB8 0.521368 0.864198
80 FA5 0.521008 0.897436
81 B5M 0.521008 0.886076
82 G3A 0.520661 0.8875
83 OMR 0.52 0.845238
84 SRA 0.519608 0.8375
85 APC 0.518519 0.873418
86 TAT 0.518182 0.873418
87 T99 0.518182 0.873418
88 P1H 0.517986 0.890244
89 VO4 ADP 0.517857 0.871795
90 ADP VO4 0.517857 0.871795
91 25A 0.517544 0.907895
92 5SV 0.517544 0.819277
93 G5P 0.516393 0.8875
94 T5A 0.515625 0.902439
95 0WD 0.515385 0.935897
96 NAJ PZO 0.515152 0.8875
97 AU1 0.514019 0.884615
98 ADP PO3 0.513761 0.881579
99 A4P 0.511811 0.880952
100 DAL AMP 0.508772 0.871795
101 FYA 0.508475 0.896104
102 YAP 0.508333 0.886076
103 TYM 0.507937 0.897436
104 F2R 0.507692 0.835294
105 SON 0.504673 0.873418
106 GAP 0.504505 0.884615
107 9ZD 0.504348 0.851852
108 9ZA 0.504348 0.851852
109 AFH 0.504065 0.853659
110 139 0.503876 0.936709
111 NDP 0.503876 0.935897
112 RBY 0.5 0.873418
113 GTA 0.5 0.855422
114 ADV 0.5 0.873418
115 B5Y 0.495868 0.886076
116 ALF ADP 0.495575 0.817073
117 ADP ALF 0.495575 0.817073
118 COD 0.492424 0.827586
119 UPA 0.492188 0.948052
120 YLP 0.492063 0.835294
121 4UU 0.491935 0.910256
122 NAJ PYZ 0.489051 0.845238
123 4UV 0.487805 0.910256
124 AF3 ADP 3PG 0.484375 0.809524
125 LAQ 0.484127 0.833333
126 MAP 0.482759 0.8625
127 5AS 0.481481 0.775281
128 NAD 0.481203 0.921053
129 NPW 0.480916 0.901235
130 LMS 0.480769 0.77907
131 YLB 0.48062 0.835294
132 FB0 0.479167 0.8
133 NZQ 0.477273 0.924051
134 4UW 0.476562 0.876543
135 TYR AMP 0.475806 0.8625
136 A2R 0.474138 0.896104
137 A3D 0.474074 0.909091
138 A5A 0.469565 0.781609
139 YLC 0.469231 0.855422
140 ARG AMP 0.468254 0.802326
141 GA7 0.468254 0.873418
142 7MD 0.468254 0.878049
143 NAQ 0.467626 0.864198
144 MYR AMP 0.467213 0.811765
145 ADP BMA 0.466667 0.884615
146 BT5 0.466667 0.804598
147 DZD 0.466667 0.924051
148 AYB 0.466165 0.825581
149 A A 0.46281 0.883117
150 NSS 0.462185 0.775281
151 IOT 0.462121 0.825581
152 54H 0.461538 0.764045
153 VMS 0.461538 0.764045
154 AHZ 0.460938 0.790698
155 ATR 0.460177 0.881579
156 YLA 0.458647 0.857143
157 NVA LMS 0.458333 0.731183
158 AOC 0.457944 0.792208
159 TSB 0.457627 0.793103
160 8X1 0.457627 0.75
161 G5A 0.45614 0.775281
162 LEU LMS 0.454545 0.731183
163 NA7 0.454545 0.897436
164 YLY 0.453237 0.825581
165 TAD 0.453125 0.853659
166 SSA 0.452991 0.775281
167 2A5 0.451327 0.860759
168 P5A 0.45082 0.76087
169 DSZ 0.45 0.775281
170 52H 0.449153 0.755556
171 BTX 0.448529 0.813953
172 4TA 0.448529 0.86747
173 NMN AMP PO4 0.448529 0.910256
174 ATP A A A 0.448 0.894737
175 PAP 0.447368 0.894737
176 JB6 0.447154 0.875
177 7MC 0.44697 0.857143
178 7D4 0.446429 0.825
179 ITT 0.446429 0.857143
180 5CA 0.445378 0.775281
181 53H 0.445378 0.755556
182 N0B 0.443662 0.879518
183 FDA 0.442953 0.892857
184 FNK 0.441558 0.862069
185 62F 0.441558 0.878049
186 NJP 0.441176 0.910256
187 AMP DBH 0.440945 0.860759
188 DG1 0.440559 0.935897
189 1DG 0.440559 0.935897
190 6FA 0.44 0.879518
191 NAE 0.439716 0.886076
192 KAA 0.439024 0.75
193 U A 0.438849 0.923077
194 LSS 0.438017 0.73913
195 AMP NAD 0.437956 0.896104
196 8PZ 0.436508 0.795455
197 7D3 0.436364 0.825
198 5CD 0.435644 0.753247
199 9K8 0.435484 0.712766
200 NDE 0.435374 0.897436
201 LPA AMP 0.435115 0.811765
202 ARU 0.434426 0.809524
203 RAB 0.434343 0.789474
204 XYA 0.434343 0.789474
205 ADN 0.434343 0.789474
206 FAS 0.434211 0.890244
207 FAD 0.434211 0.890244
208 SFD 0.434211 0.768421
209 AR6 AR6 0.434109 0.883117
210 ZID 0.433566 0.909091
211 M24 0.432624 0.843373
212 HFD 0.431034 0.8625
213 ODP 0.430657 0.924051
214 AVV 0.429752 0.864198
215 NDC 0.42953 0.8875
216 WSA 0.428571 0.784091
217 XNP 0.427536 0.888889
218 GSU 0.427419 0.755556
219 5N5 0.425743 0.789474
220 6AD 0.423729 0.831325
221 F2N 0.423313 0.872093
222 EP4 0.423077 0.728395
223 A U 0.422222 0.910256
224 YSA 0.421875 0.775281
225 A4D 0.421569 0.766234
226 Z5A 0.42069 0.837209
227 3DH 0.420561 0.725
228 FAY 0.420382 0.901235
229 A2P 0.419643 0.868421
230 A3P 0.419643 0.881579
231 DTA 0.419048 0.759494
232 RFL 0.417722 0.858824
233 5X8 0.417391 0.7375
234 9JJ 0.416149 0.855422
235 DTP 0.415254 0.848101
236 3AT 0.415254 0.883117
237 MTA 0.415094 0.725
238 FA9 0.412121 0.879518
239 PPS 0.411765 0.8
240 7D5 0.411215 0.8
241 P5F 0.411043 0.882353
242 S4M 0.410714 0.666667
243 6RE 0.409091 0.714286
244 AV2 0.408333 0.835443
245 M2T 0.40566 0.690476
246 DCA 0.405594 0.818182
247 SFG 0.405172 0.725
248 DAT 0.405172 0.848101
249 3AM 0.40367 0.844156
250 J7C 0.401786 0.722892
251 IMO 0.401786 0.844156
252 0T1 0.4 0.818182
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5L2M; Ligand: 6ZY; Similar sites found with APoc: 113
This union binding pocket(no: 1) in the query (biounit: 5l2m.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
1 6B79 ORA None
2 3BRE C2E 1.39665
3 1SJD NPG 1.63043
4 1KYZ SAH 1.64384
5 4R84 CSF 1.79641
6 4UP4 GAL NAG 1.99501
7 4V3C C 2.06186
8 3B6C SDN 2.13675
9 5OM2 DXT 2.16802
10 2XOC ADP 2.29885
11 2VL1 GLY GLY 2.32068
12 2NXE SAM 2.3622
13 5KJW 53C 2.57611
14 5J75 6GQ 2.65152
15 2ZWI C5P 2.68097
16 3RZ3 U94 2.73224
17 2Z49 AMG 2.77778
18 3BOF HCS 2.79441
19 3UYW TAU 2.80374
20 3WQD PLP 999 2.82051
21 5A9A UTP 2.88066
22 4D1J DGJ 2.99401
23 1SQF SAM 3.0303
24 5WXU FLC 3.13152
25 4AZW SAM 3.18471
26 1LCF OXL 3.19361
27 1IK4 PGH 3.28947
28 4UBS DIF 3.30789
29 3ACL 3F1 3.37838
30 5IFK HPA 3.52564
31 3QPB R1P 3.5461
32 3K56 IS3 3.7594
33 1LSH PLD 3.79242
34 2EJU SAH 4.2328
35 1JGS SAL 4.34783
36 5KHD C2E 4.3956
37 5OCM NAP 4.46735
38 5JE8 NAD 4.63576
39 3C3Y SAH 4.64135
40 4GN8 ASO 4.68227
41 1VBO MAN MAN MAN 4.69799
42 4XCP PLM 4.70588
43 1Q8A HCS 4.79042
44 5JGL SAM 4.84429
45 5TXR PLP 5.29532
46 3H0L ADP 5.31915
47 2YK7 CSF 5.52147
48 6E1Q CFA 5.58882
49 5GQX GLC GLC GLC GLC GLC GLC GLC 5.58882
50 2JFN GLU 5.61404
51 1PDZ PGA 5.76037
52 5OCG 9R5 5.82011
53 1PVC ILE SER GLU VAL 5.88235
54 2IU8 PLM 5.88235
55 5FUI APY 6.06061
56 5DYO FLU 6.13208
57 1FLJ GSH 6.15385
58 2IVD ACJ 6.18762
59 4F8L AES 6.2069
60 6FA4 D1W 6.35838
61 2B6N ALA PRO THR 6.47482
62 1UPR 4IP 6.50407
63 4ARU TLA 6.53753
64 5L2R MLA 6.58683
65 4X1B MLI 6.58683
66 5Y4R C2E 6.89655
67 1JHG TRP 6.93069
68 1KYQ NAD 6.93431
69 3JQA DX4 6.94444
70 1FUR MLT 7.06638
71 3DZ6 M8E 7.11611
72 4CNK MEU 7.16113
73 1U4L H1S 7.35294
74 3RK0 AMP 7.59494
75 5MRH Q9Z 7.78443
76 5TVF CGQ 8.42105
77 4WCX MET 8.54167
78 1I7M CG 8.95522
79 4RYV ZEA 9.03226
80 1UYY BGC BGC 9.16031
81 4GLW NMN 9.5082
82 1KZL CRM 9.61539
83 3MWL 8OX 10.1449
84 5KK4 44E 10.4167
85 2CVZ NDP 10.7266
86 1T36 U 11.5183
87 1ONI BEZ 11.5942
88 1HXD BTN 11.838
89 5UGH 8AJ 13.3501
90 1W8S FBP 13.6882
91 4G86 BNT 17.9577
92 5Z84 CHD 21.7391
93 6GNO XDI 22.2222
94 4R2M ANP 22.7848
95 5DBV COA 28.3146
96 5JFL NAD 29.0076
97 1EZ0 NAP 29.0196
98 3IWD M2T 30.6452
99 4NS3 NAD 37.3253
100 2Y69 CHD 37.5
101 3HAZ NAD 39.7206
102 5KF6 NAD 41.517
103 3SZB I1E 44.1365
104 5UCD NAP 44.639
105 4YWV SSN 44.7312
106 4ZUL UN1 45.1098
107 3EFV NAD 45.4545
108 3VZ3 SSN 45.5142
109 3VZ3 NAP 45.5142
110 4LH0 GLV 45.7086
111 4OE4 NAD 46.507
112 1KY8 NAP 47.1058
113 2BJK NAD 47.6744
Pocket No.: 2; Query (leader) PDB : 5L2M; Ligand: 6ZY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5l2m.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5L2M; Ligand: 6ZY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5l2m.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5L2M; Ligand: 6ZY; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5l2m.bio1) has 54 residues
No: Leader PDB Ligand Sequence Similarity
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