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Receptor
PDB id Resolution Class Description Source Keywords
1O9J 2.4 Å EC: 1.2.1.3 THE X-RAY CRYSTAL STRUCTURE OF ETA-CRYSTALLIN ELEPHANTULUS EDWARDII ALDH EYE-LENS PROTEIN ETA-CRYSTALLIN OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF ETA-CRYSTALLIN: ADAPTATION OF A CLASS 1 ALDEHYDE DEHYDROGENASE FOR A NEW ROLE IN THE EYE LENS BIOCHEMISTRY V. 42 4349 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DTT B:900;
Invalid;
none;
submit data
154.251 C4 H10 O2 S2 C([C@...
DTU D:901;
Invalid;
none;
submit data
154.251 C4 H10 O2 S2 C([C@...
NAD A:1501;
B:1501;
C:1501;
D:1501;
Valid;
Valid;
Valid;
Valid;
none;
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
1O9J 2.4 Å EC: 1.2.1.3 THE X-RAY CRYSTAL STRUCTURE OF ETA-CRYSTALLIN ELEPHANTULUS EDWARDII ALDH EYE-LENS PROTEIN ETA-CRYSTALLIN OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF ETA-CRYSTALLIN: ADAPTATION OF A CLASS 1 ALDEHYDE DEHYDROGENASE FOR A NEW ROLE IN THE EYE LENS BIOCHEMISTRY V. 42 4349 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1O9J - NAD C21 H27 N7 O14 P2 c1cc(c[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: NAD; Similar ligands found: 230
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NHD 0.821429 0.972222
3 NAP 0.811966 0.986111
4 NFD 0.791304 0.946667
5 NXX 0.765766 0.972603
6 DND 0.765766 0.972603
7 AMP NAD 0.74359 0.972222
8 ZID 0.737705 0.986111
9 NAQ 0.729508 0.934211
10 NAE 0.721311 0.959459
11 NA0 0.712 0.972603
12 TAP 0.704 0.921053
13 NDE 0.689922 0.972603
14 NAJ 0.683333 0.972222
15 NDC 0.679389 0.934211
16 NDO 0.674603 0.958904
17 N01 0.656 0.972222
18 CNA 0.642276 0.972603
19 NBP 0.621212 0.922078
20 8ID 0.609756 0.922078
21 A2D 0.576923 0.958333
22 ADP 0.575472 0.931507
23 NGD 0.574803 0.922078
24 BA3 0.566038 0.958333
25 M33 0.564815 0.918919
26 ADP PO3 0.563636 0.957747
27 B4P 0.560748 0.958333
28 AP5 0.560748 0.958333
29 AN2 0.555556 0.918919
30 AT4 0.555556 0.894737
31 GAP 0.553571 0.932432
32 OOB 0.551724 0.972222
33 CA0 0.550459 0.932432
34 9JJ 0.546053 0.898734
35 HEJ 0.545455 0.931507
36 ACP 0.545455 0.906667
37 ATP 0.545455 0.931507
38 DQV 0.544 0.972222
39 ADP ALF 0.54386 0.883117
40 ALF ADP 0.54386 0.883117
41 DAL AMP 0.543103 0.945205
42 APR 0.540541 0.931507
43 AQP 0.540541 0.931507
44 AR6 0.540541 0.931507
45 5FA 0.540541 0.931507
46 ADP VO4 0.53913 0.945205
47 VO4 ADP 0.53913 0.945205
48 AD9 0.535714 0.906667
49 SAP 0.535714 0.883117
50 AGS 0.535714 0.883117
51 WAQ 0.533333 0.896104
52 ABM 0.53271 0.905405
53 DLL 0.529412 0.972222
54 00A 0.529412 0.921053
55 ACQ 0.526316 0.906667
56 NJP 0.526316 0.959459
57 ANP 0.526316 0.906667
58 OAD 0.525 0.932432
59 ADX 0.522523 0.839506
60 5AL 0.521739 0.945205
61 A1R 0.521008 0.871795
62 9SN 0.520325 0.909091
63 A 0.518868 0.930556
64 AMP 0.518868 0.930556
65 50T 0.517857 0.893333
66 ATF 0.517241 0.894737
67 1ZZ 0.516393 0.851852
68 3OD 0.516393 0.932432
69 SON 0.513514 0.92
70 PRX 0.513274 0.881579
71 6YZ 0.512821 0.906667
72 SRP 0.512821 0.92
73 9X8 0.512397 0.883117
74 ADP BMA 0.512397 0.932432
75 3UK 0.512397 0.958904
76 MYR AMP 0.512195 0.851852
77 NAJ PZO 0.510949 0.909091
78 NMN 0.509434 0.875
79 A3R 0.508333 0.871795
80 B5V 0.508197 0.945946
81 AMP DBH 0.507937 0.906667
82 A22 0.504202 0.945205
83 ATP A A A 0.504 0.971831
84 B5M 0.504 0.933333
85 FA5 0.504 0.945946
86 8QN 0.5 0.945205
87 NAX 0.496183 0.886076
88 TYR AMP 0.496063 0.933333
89 PR8 0.495935 0.8625
90 AMO 0.495868 0.92
91 ADQ 0.495868 0.932432
92 4AD 0.495868 0.933333
93 PAJ 0.495868 0.873418
94 A12 0.495495 0.894737
95 AP2 0.495495 0.894737
96 AHZ 0.492308 0.851852
97 YAP 0.492063 0.933333
98 FYA 0.491935 0.918919
99 AHX 0.491803 0.884615
100 4UU 0.488372 0.933333
101 5SV 0.487603 0.8375
102 TAT 0.487179 0.894737
103 T99 0.487179 0.894737
104 APC 0.486957 0.894737
105 SRA 0.486239 0.881579
106 6V0 0.484848 0.909091
107 NAI 0.484848 0.921053
108 GTA 0.484615 0.898734
109 A A 0.483871 0.958333
110 LAD 0.483871 0.873418
111 AU1 0.482456 0.906667
112 F2R 0.481752 0.831325
113 OMR 0.481203 0.841463
114 TXE 0.481203 0.921053
115 AF3 ADP 3PG 0.481203 0.873418
116 LAQ 0.480916 0.851852
117 G3A 0.48062 0.909091
118 B5Y 0.480315 0.933333
119 NB8 0.48 0.884615
120 TXA 0.48 0.92
121 BIS 0.48 0.871795
122 ME8 0.48 0.851852
123 PTJ 0.48 0.884615
124 139 0.477941 0.886076
125 LPA AMP 0.477273 0.851852
126 AFH 0.476923 0.873418
127 AR6 AR6 0.476923 0.958333
128 G5P 0.476923 0.909091
129 ARG AMP 0.476923 0.841463
130 25L 0.47619 0.945205
131 NAJ PYZ 0.475524 0.864198
132 25A 0.47541 0.958333
133 9ZA 0.47541 0.896104
134 9ZD 0.47541 0.896104
135 DZD 0.47482 0.897436
136 TXD 0.473684 0.921053
137 4UV 0.472868 0.933333
138 TYM 0.470149 0.945946
139 RBY 0.470085 0.894737
140 ADV 0.470085 0.894737
141 4TA 0.467626 0.864198
142 48N 0.466165 0.884615
143 XAH 0.465116 0.851852
144 4UW 0.462687 0.897436
145 M24 0.461538 0.886076
146 80F 0.460993 0.853659
147 IOT 0.459854 0.821429
148 T5A 0.456522 0.853659
149 EAD 0.455782 0.886076
150 MAP 0.455285 0.883117
151 GA7 0.454545 0.894737
152 BT5 0.453901 0.821429
153 A4P 0.452555 0.833333
154 UP5 0.451852 0.933333
155 PAP 0.445378 0.917808
156 4TC 0.445255 0.909091
157 AP0 0.445255 0.884615
158 YLP 0.444444 0.831325
159 P1H 0.443709 0.864198
160 AOC 0.442478 0.810811
161 Z5A 0.439189 0.833333
162 LMS 0.4375 0.817073
163 2A5 0.436975 0.857143
164 A G 0.43662 0.921053
165 G A A A 0.43662 0.909091
166 COD 0.43662 0.802326
167 ADJ 0.435714 0.841463
168 YLB 0.434783 0.831325
169 YLC 0.434783 0.851852
170 U A G G 0.433566 0.921053
171 ATR 0.433333 0.90411
172 7MD 0.432836 0.851852
173 8X1 0.432 0.764045
174 G5A 0.429752 0.790698
175 PO4 PO4 A A A A PO4 0.429688 0.943662
176 TAD 0.42963 0.873418
177 5AS 0.42735 0.770115
178 BTX 0.426573 0.831325
179 YLA 0.425532 0.831325
180 DSZ 0.425197 0.790698
181 NCN 0.424779 0.805556
182 UPA 0.42446 0.921053
183 8PZ 0.424242 0.811765
184 VMS 0.424 0.8
185 54H 0.424 0.8
186 9K8 0.423077 0.744444
187 N0B 0.422819 0.853659
188 6AD 0.422764 0.85
189 AYB 0.422535 0.821429
190 7D3 0.422414 0.844156
191 YLY 0.421769 0.821429
192 TSB 0.420635 0.809524
193 ODP 0.41958 0.922078
194 AV2 0.419355 0.855263
195 FB0 0.419355 0.775281
196 A5A 0.419355 0.819277
197 NNR 0.419048 0.739726
198 A A A 0.418605 0.918919
199 U A 0.417808 0.946667
200 649 0.417266 0.775281
201 NMN AMP PO4 0.416667 0.933333
202 SSA 0.416 0.790698
203 P5A 0.415385 0.755556
204 LSS 0.414062 0.772727
205 A2R 0.412698 0.918919
206 52H 0.412698 0.790698
207 JB6 0.412214 0.896104
208 5N5 0.411215 0.783784
209 YSA 0.410448 0.811765
210 53H 0.409449 0.790698
211 5CA 0.409449 0.790698
212 ITT 0.408333 0.878378
213 7D4 0.408333 0.844156
214 NA7 0.407692 0.894737
215 LEU LMS 0.407692 0.784091
216 5CD 0.407407 0.794521
217 0WD 0.406897 0.909091
218 A3P 0.40678 0.930556
219 HFD 0.406504 0.883117
220 AVV 0.40625 0.860759
221 RAB 0.40566 0.808219
222 XYA 0.40566 0.808219
223 ADN 0.40566 0.808219
224 FDA 0.405063 0.823529
225 GSU 0.40458 0.790698
226 7MC 0.404255 0.831325
227 NSS 0.403101 0.811765
228 6FA 0.402516 0.853659
229 PPS 0.4 0.817073
230 NVA LMS 0.4 0.784091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1O9J; Ligand: NAD; Similar sites found with APoc: 122
This union binding pocket(no: 1) in the query (biounit: 1o9j.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 6B79 ORA None
2 5VLQ ANP 1.39721
3 3G2Y GF4 1.52091
4 1HXD BTN 1.55763
5 5ZXD ATP 1.59681
6 3QSB 743 1.91257
7 3TY3 GGG 1.91257
8 1VMK GUN 2.16606
9 3ESS 18N 2.17391
10 2Z4T C5P 2.19561
11 3LGS ADE 2.24719
12 1OFL NGK GCD 2.2869
13 3BJE URA 2.29226
14 1F9V ADP 2.30548
15 3UDG TMP 2.32558
16 6I6X TLA 2.39521
17 4YRI 4JH 2.41228
18 3BRE C2E 2.51397
19 4A9C B5F 2.53165
20 3RK0 AMP 2.53165
21 5KJW 53C 2.57611
22 1LSH PLD 2.59481
23 5F7U GLC GLC 2.79441
24 4R84 CSF 2.79441
25 1M7G AV2 2.8436
26 3LJU IP9 2.84974
27 3EFS BTN 3.00429
28 5G6U TRP 3.06513
29 4DFU QUE 3.10559
30 2IVD ACJ 3.13808
31 2RDE C2E 3.18725
32 5O96 SAM 3.26531
33 1IK4 PGH 3.28947
34 4CNK MEU 3.32481
35 2XCU C5P 3.47594
36 4FE2 AIR 3.52941
37 1RJW ETF 3.53982
38 3QPB URA 3.5461
39 2ACV UDP 3.67171
40 2P7Q GG6 3.7594
41 3QMN A3P 3.87597
42 1Q8S MAN MMA 3.96825
43 1Q8Q MAN MMA 3.96825
44 1NW4 IMH 3.98551
45 2XG5 EC5 4.04624
46 2XG5 EC2 4.04624
47 1RYD GLC 4.13437
48 1IND EOT 4.18605
49 1T36 U 4.39122
50 4RT1 C2E 4.46429
51 3KYF 5GP 5GP 4.7619
52 4DD8 BAT 4.80769
53 5TV6 PML 5
54 3OQJ 3CX 5.05837
55 1V84 GAL NDG 5.13834
56 3NZ1 3NY 5.36398
57 2WG9 OCA 5.38462
58 6BTN E8M 5.44554
59 3QXV MTX 5.55556
60 5GQX GLC GLC GLC GLC 5.58882
61 2E40 LGC 5.5914
62 5L2R MLA 5.78842
63 3MWL 8OX 5.7971
64 2X1E X1E 5.88235
65 2ZWI C5P 5.89812
66 1V3S ATP 6.03448
67 5FUI APY 6.06061
68 5N1Q COM 6.13027
69 5EXK MET 6.34441
70 6FA4 D1W 6.35838
71 4ZDJ UTP 6.38723
72 1C3X 8IG 6.39098
73 3DXY SAM 6.42202
74 5AHS SIN 6.48379
75 3EJ0 11X 6.63265
76 2UWN SCR 6.95187
77 2WQ4 SFU 7.05128
78 1TE2 PGA 7.07965
79 1W0O SIA 7.18563
80 4V3C C 7.2165
81 3AB4 LYS 7.30337
82 2WLG SOP 7.44186
83 3RF4 FUN 7.75862
84 4ZTD ALA GLY ALA GLY ALA 8.69565
85 1I7M CG 8.95522
86 4WCX MET 8.95833
87 2IU8 PLM 9.09091
88 1UYY BGC BGC 9.16031
89 3SQG COM 9.319
90 2CE7 ADP 10.2941
91 5LX9 OLB 10.5634
92 6GNO XDI 11.1111
93 3WCS MAN NAG GAL 11.4173
94 3IWD M2T 11.7647
95 2GQS C2R 13.0802
96 5TQZ GLC 13.3333
97 1VHW ADN 13.4387
98 43CA NPO 13.6752
99 1T3D CYS 13.8408
100 1T0S BML 13.9535
101 5W75 SUC 14.0306
102 1KZL CRM 15.3846
103 5E5U MLT 16.5829
104 2O1C PPV 16.6667
105 5JFL NAD 21.9561
106 5TVF CGQ 23.5294
107 5DBV COA 27.4157
108 1EZ0 NAP 30.3922
109 4NS3 NAD 35.1297
110 3HAZ NAD 39.1218
111 5UCD NAP 40.919
112 5KF6 NAD 41.7166
113 4LH0 GLV 42.7146
114 4YWV SSN 43.4409
115 4ZUL UN1 43.513
116 3EFV NAD 45.8874
117 4OE4 NAD 46.7066
118 3VZ3 NAP 47.046
119 3VZ3 SSN 47.046
120 2BJK NAD 47.093
121 1KY8 NAP 47.1058
122 2QE0 NAP 49.6842
Pocket No.: 2; Query (leader) PDB : 1O9J; Ligand: NAD; Similar sites found with APoc: 38
This union binding pocket(no: 2) in the query (biounit: 1o9j.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 2XSB GDL 1.34228
2 5F7J ADE 1.5625
3 5XLY C2E 2.25564
4 5EJL C2E 2.41935
5 5NC1 NAG 2.53165
6 1USR SIA WIA 2.64317
7 1SES AMP 2.85036
8 1MVQ MMA 2.9661
9 1ODJ GMP 2.97872
10 3KYG 5GP 5GP 3.52423
11 3QPB R1P 3.5461
12 2Z49 AMG 3.7037
13 2HXW FLC 3.79747
14 5IFK HPA 3.84615
15 2NU8 COA 3.86598
16 1LCF OXL 4.19162
17 2F2H XTG 4.19162
18 1ZQ9 SAM 4.21053
19 4RKK GLC GLC GLC GLC GLC GLC 4.21687
20 1V6A TRE 4.21687
21 6GVZ CHO 4.2623
22 5Y4R C2E 4.42177
23 4C2W ANP 4.6595
24 3TD3 GLY 4.87805
25 2JK0 ASP 4.92308
26 4GKY MAN 4.98084
27 1UPR 4IP 5.69106
28 5G48 1FL 6.14973
29 5DYO FLU 7.07547
30 1UNQ 4IP 7.2
31 1NE7 16G 7.61246
32 2GNK ATP 8.03571
33 4TVD BGC 8.78244
34 4YSX MLI 11.7021
35 3R9V DXC 18.5315
36 1LTT GAL BGC 29.1262
37 1LT3 GAL BGC 29.1262
38 1LTI GAL 29.1262
Pocket No.: 3; Query (leader) PDB : 1O9J; Ligand: NAD; Similar sites found with APoc: 24
This union binding pocket(no: 3) in the query (biounit: 1o9j.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 2VL1 GLY GLY 1.47679
2 2IBN I1N 1.6
3 2D3Y DU 2.73973
4 4OKS 2T9 3.23276
5 1MFI FHC 3.50877
6 4BWL MN9 3.61842
7 5OD2 GLC 3.71179
8 4XFR CIT 3.98126
9 2JE7 XMM 4.1841
10 6E1Q CFA 4.19162
11 4G9N NGA 4.1958
12 4NZ6 DLY 4.47284
13 2IZ1 ATR 4.85232
14 1V84 GAL NAG 5.13834
15 4XCP PLM 5.29412
16 5TWJ SAM 5.55556
17 3F5A SIA GAL NAG 5.69106
18 5OCG 9R5 5.82011
19 2X1L MET 5.98802
20 2VT3 ATP 6.04651
21 3CF6 SP1 7.18563
22 3KIF GDL 7.54717
23 1NE7 AGP 7.61246
24 3ALT MLB 12.1019
Pocket No.: 4; Query (leader) PDB : 1O9J; Ligand: NAD; Similar sites found with APoc: 22
This union binding pocket(no: 4) in the query (biounit: 1o9j.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 3G5N PB2 1.05042
2 1KYZ SAH 1.36986
3 2IYF UDP 1.92771
4 1ZGA SAH 1.96078
5 5O5Y GLC 2.19561
6 4QAR ADE 2.48756
7 2RNF UM3 2.5
8 6IS0 M7G 2.62097
9 1O8B ABF 2.73973
10 1UY4 XYP XYP XYP XYP 2.75862
11 2HIM ASP 3.07263
12 2Z48 NGA 3.7037
13 1WDK NAD 4.61538
14 2C3H GLC GLC 5.10204
15 6MDE MEV 5.94059
16 4RYV ZEA 6.45161
17 1VBO MAN MAN MAN 7.38255
18 1LSZ NDG NAG NAG NAG 8.16327
19 1J2Z SOG 8.88889
20 1KYQ NAD 9.48905
21 1C1X HFA 12.1127
22 3HCH RSM 20.5479
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