Receptor
PDB id Resolution Class Description Source Keywords
4I9B 1.9 Å EC: 1.-.-.- STRUCTURE OF AMINOALDEHYDE DEHYDROGENASE 1 FROM SOLANUM LYCO (SLAMADH1) WITH A THIOHEMIACETAL INTERMEDIATE SOLANUM LYCOPERSICUM ALDH10 FAMILY FOLD OXIDOREDUCTASE
Ref.: PLANT ALDH10 FAMILY: IDENTIFYING CRITICAL RESIDUES SUBSTRATE SPECIFICITY AND TRAPPING A THIOHEMIACETAL INTERMEDIATE. J.BIOL.CHEM. V. 288 9491 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:604;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
NAD B:601;
A:601;
Valid;
Valid;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
NA B:602;
A:602;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
1KA A:605;
B:604;
Invalid;
Valid;
none;
none;
submit data
104.105 C4 H8 O3 C(COC...
PEG B:603;
A:603;
Invalid;
Invalid;
none;
none;
submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4I9B 1.9 Å EC: 1.-.-.- STRUCTURE OF AMINOALDEHYDE DEHYDROGENASE 1 FROM SOLANUM LYCO (SLAMADH1) WITH A THIOHEMIACETAL INTERMEDIATE SOLANUM LYCOPERSICUM ALDH10 FAMILY FOLD OXIDOREDUCTASE
Ref.: PLANT ALDH10 FAMILY: IDENTIFYING CRITICAL RESIDUES SUBSTRATE SPECIFICITY AND TRAPPING A THIOHEMIACETAL INTERMEDIATE. J.BIOL.CHEM. V. 288 9491 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 4I9B - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 4I9B - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 3IWK - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 4A0M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 4I8P - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 3IWJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (52)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 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 5N5S Kd = 31 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
15 4PZ2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
16 1WNB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
17 3IWK - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
18 4A0M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 4GNZ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
20 3RHR Kd = 5.7 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
21 3RHJ Kd = 0.0073 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
22 4GO2 - TAP C21 H28 N7 O16 P3 S c1cc(c[n+]....
23 2O2R - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
24 3RHL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
25 3RHO Kd = 0.26 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
26 3RHQ Kd = 9.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
27 2O2Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
28 3JZ4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
29 1O01 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
30 2ONM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
31 2VLE - DZN C21 H20 O9 c1cc(ccc1C....
32 3INL - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
33 3SZ9 - I3E C11 H14 O CCc1ccc(cc....
34 4FR8 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
35 1O04 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
36 3INJ - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
37 2ONP - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
38 1O02 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 5L13 Ki = 19 nM 6ZE C17 H18 O3 CCCC1=C(c2....
40 1NZX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 4KWG ic50 = 2.4 uM 2AK C9 H6 Br N O2 Cc1cc2c(c(....
42 4KWF ic50 = 82 uM 3AK C15 H11 N O2 c1ccc(cc1)....
43 4FQF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
44 1NZZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 5X5U - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 2W8Q - SIN C4 H6 O4 O=C([O-])C....
47 2W8R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
48 2IMP - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
49 3ZQA - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50 1O9J - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
51 4I8P - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
52 1T90 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAD; Similar ligands found: 220
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NAD IBO 0.845455 0.933333
3 NHD 0.821429 0.972222
4 NAP 0.811966 0.986111
5 NAJ PYZ 0.803419 0.910256
6 NFD 0.791304 0.946667
7 NXX 0.765766 0.972603
8 DND 0.765766 0.972603
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 AMP NAD 0.696 0.945946
15 NDE 0.689922 0.972603
16 NAJ 0.683333 0.972222
17 NDC 0.679389 0.934211
18 NDO 0.674603 0.958904
19 N01 0.656 0.972222
20 CNA 0.642276 0.972603
21 NBP 0.621212 0.922078
22 NAD BBN 0.609929 0.876543
23 8ID 0.609756 0.922078
24 NAD CJ3 0.601399 0.845238
25 ADP MG 0.579439 0.918919
26 A2D 0.576923 0.958333
27 ADP 0.575472 0.931507
28 NGD 0.574803 0.922078
29 BEF ADP 0.574074 0.894737
30 ADP BEF 0.574074 0.894737
31 BA3 0.566038 0.958333
32 NAD NDT 0.565789 0.755319
33 M33 0.564815 0.918919
34 ADP PO3 0.563636 0.957747
35 B4P 0.560748 0.958333
36 AP5 0.560748 0.958333
37 ATP MG 0.558559 0.918919
38 AN2 0.555556 0.918919
39 GAP 0.553571 0.932432
40 OOB 0.551724 0.972222
41 CA0 0.550459 0.932432
42 ATP 0.545455 0.931507
43 ACP 0.545455 0.906667
44 NAD TDB 0.544872 0.70297
45 ADP ALF 0.54386 0.883117
46 ALF ADP 0.54386 0.883117
47 5FA 0.540541 0.931507
48 AQP 0.540541 0.931507
49 APR 0.540541 0.931507
50 AR6 0.540541 0.931507
51 ANP MG 0.53913 0.907895
52 VO4 ADP 0.53913 0.945205
53 ADP VO4 0.53913 0.945205
54 AGS 0.535714 0.883117
55 SAP 0.535714 0.883117
56 AD9 0.535714 0.906667
57 WAQ 0.533333 0.896104
58 ABM 0.53271 0.905405
59 00A 0.529412 0.921053
60 DLL 0.529412 0.972222
61 ANP 0.526316 0.906667
62 NJP 0.526316 0.959459
63 ACQ 0.526316 0.906667
64 OAD 0.525 0.932432
65 AMP MG 0.523364 0.905405
66 ADX 0.522523 0.839506
67 5AL 0.521739 0.945205
68 A1R 0.521008 0.871795
69 9SN 0.520325 0.909091
70 AMP 0.518868 0.930556
71 A 0.518868 0.930556
72 50T 0.517857 0.893333
73 ATF 0.517241 0.894737
74 DAL AMP 0.516949 0.945205
75 3OD 0.516393 0.932432
76 1ZZ 0.516393 0.851852
77 SON 0.513514 0.92
78 PRX 0.513274 0.881579
79 SRP 0.512821 0.92
80 ADP BMA 0.512397 0.932432
81 3UK 0.512397 0.958904
82 MYR AMP 0.512195 0.851852
83 NAJ PZO 0.510949 0.909091
84 NMN 0.509434 0.875
85 AMP DBH 0.507937 0.906667
86 A22 0.504202 0.945205
87 FA5 0.504 0.945946
88 ATP A A A 0.504 0.971831
89 TYR AMP 0.5 0.945946
90 8QN 0.5 0.945205
91 NAX 0.496183 0.886076
92 PR8 0.495935 0.8625
93 PAJ 0.495868 0.873418
94 4AD 0.495868 0.933333
95 AMO 0.495868 0.92
96 ADQ 0.495868 0.932432
97 A12 0.495495 0.894737
98 AP2 0.495495 0.894737
99 ALF ADP 3PG 0.492424 0.873418
100 LA8 ALF 3PG 0.492424 0.873418
101 AHZ 0.492308 0.851852
102 YAP 0.492063 0.933333
103 FYA 0.491935 0.918919
104 AHX 0.491803 0.884615
105 4UU 0.488372 0.933333
106 5SV 0.487603 0.8375
107 TAT 0.487179 0.894737
108 APC 0.486957 0.894737
109 SRA 0.486239 0.881579
110 NAI 0.484848 0.921053
111 6V0 0.484848 0.909091
112 GTA 0.484615 0.898734
113 A A 0.483871 0.958333
114 LAD 0.483871 0.873418
115 AU1 0.482456 0.906667
116 TXE 0.481203 0.921053
117 AF3 ADP 3PG 0.481203 0.873418
118 OMR 0.481203 0.841463
119 LAQ 0.480916 0.851852
120 G3A 0.48062 0.909091
121 TXA 0.48 0.92
122 NB8 0.48 0.884615
123 ME8 0.48 0.851852
124 BIS 0.48 0.871795
125 PTJ 0.48 0.884615
126 139 0.477941 0.886076
127 LPA AMP 0.477273 0.851852
128 AR6 AR6 0.476923 0.958333
129 G5P 0.476923 0.909091
130 AFH 0.476923 0.873418
131 25L 0.47619 0.945205
132 25A 0.47541 0.958333
133 DZD 0.47482 0.897436
134 TXD 0.473684 0.921053
135 4UV 0.472868 0.933333
136 TYM 0.470149 0.945946
137 ADV 0.470085 0.894737
138 RBY 0.470085 0.894737
139 ARG AMP 0.469697 0.841463
140 4TA 0.467626 0.864198
141 48N 0.466165 0.884615
142 XAH 0.465116 0.851852
143 4UW 0.462687 0.897436
144 M24 0.461538 0.886076
145 IOT 0.459854 0.821429
146 T5A 0.456522 0.853659
147 EAD 0.455782 0.886076
148 MAP 0.455285 0.883117
149 BT5 0.453901 0.821429
150 A4P 0.452555 0.833333
151 UP5 0.451852 0.933333
152 PAP 0.445378 0.917808
153 AP0 0.445255 0.884615
154 4TC 0.445255 0.909091
155 YLP 0.444444 0.831325
156 P1H 0.443709 0.864198
157 AOC 0.442478 0.810811
158 Z5A 0.439189 0.833333
159 2A5 0.436975 0.857143
160 G A A A 0.43662 0.909091
161 COD 0.43662 0.802326
162 ADJ 0.435714 0.841463
163 YLC 0.434783 0.851852
164 YLB 0.434783 0.831325
165 U A G G 0.433566 0.921053
166 ATR 0.433333 0.90411
167 7MD 0.432836 0.851852
168 G5A 0.429752 0.790698
169 PO4 PO4 A A A A PO4 0.429688 0.943662
170 TAD 0.42963 0.873418
171 5AS 0.42735 0.770115
172 BTX 0.426573 0.831325
173 YLA 0.425532 0.831325
174 DSZ 0.425197 0.790698
175 NCN 0.424779 0.805556
176 UPA 0.42446 0.921053
177 VMS 0.424 0.8
178 54H 0.424 0.8
179 N0B 0.422819 0.853659
180 6AD 0.422764 0.85
181 AYB 0.422535 0.821429
182 7D3 0.422414 0.844156
183 YLY 0.421769 0.821429
184 TSB 0.420635 0.809524
185 ODP 0.41958 0.922078
186 AV2 0.419355 0.855263
187 FB0 0.419355 0.775281
188 A5A 0.419355 0.819277
189 NNR 0.419048 0.739726
190 A A A 0.418605 0.918919
191 LEU LMS 0.418605 0.793103
192 649 0.417266 0.775281
193 NMN AMP PO4 0.416667 0.933333
194 SSA 0.416 0.790698
195 P5A 0.415385 0.755556
196 LSS 0.414062 0.772727
197 A2R 0.412698 0.918919
198 52H 0.412698 0.790698
199 JB6 0.412214 0.896104
200 5N5 0.411215 0.783784
201 YSA 0.410448 0.811765
202 5CA 0.409449 0.790698
203 53H 0.409449 0.790698
204 ITT 0.408333 0.878378
205 7D4 0.408333 0.844156
206 NA7 0.407692 0.894737
207 5CD 0.407407 0.794521
208 0WD 0.406897 0.909091
209 A3P 0.40678 0.930556
210 AVV 0.40625 0.860759
211 RAB 0.40566 0.808219
212 ADN 0.40566 0.808219
213 XYA 0.40566 0.808219
214 FDA 0.405063 0.823529
215 GSU 0.40458 0.790698
216 7MC 0.404255 0.831325
217 NSS 0.403101 0.811765
218 6FA 0.402516 0.853659
219 NVA LMS 0.4 0.793103
220 PPS 0.4 0.817073
Ligand no: 2; Ligand: 1KA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 1KA 1 1
2 P4C 0.642857 0.826087
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4I9B; Ligand: NAD; Similar sites found: 50
This union binding pocket(no: 1) in the query (biounit: 4i9b.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RPL FAD 0.02131 0.4168 1.75439
2 4RPL 3UC 0.02533 0.41487 1.75439
3 3LJU IP9 0.02106 0.40619 2.07254
4 5EOO CIT 0.02339 0.40427 2.26415
5 4R84 CSF 0.000511 0.43159 2.58449
6 1NVM NAD 0.0105 0.4059 2.6087
7 1OFL NGK GCD 0.003668 0.44595 2.7027
8 3OZ2 FAD 0.01076 0.41509 2.77078
9 4JSR 1NQ 0.0292 0.40152 3.15789
10 5XDT MB3 0.005255 0.42178 3.24675
11 1IK4 PGH 0.004571 0.42572 3.94737
12 4XTX 590 0.004896 0.41664 4.07407
13 2YK7 CSF 0.004166 0.40829 4.90798
14 2XG5 EC2 0.0000951 0.54531 5.78035
15 2XG5 EC5 0.0000951 0.54531 5.78035
16 2Z4T C5P 0.006813 0.4218 5.80271
17 3EFS BTN 0.002071 0.41664 6.00858
18 3LZW NAP 0.03974 0.40054 6.0241
19 3HDY FAD 0.01604 0.42155 6.04534
20 3HDY GDU 0.01763 0.4202 6.04534
21 3HDY FDA 0.01711 0.4202 6.04534
22 2GU8 796 0.03241 0.40152 6.23145
23 3LL5 ADP 0.01318 0.40494 6.82731
24 3LL5 IPE 0.01313 0.40274 6.82731
25 1T36 U 0.0004717 0.44317 7.3501
26 4BWL MN9 0.003409 0.4493 7.56579
27 1PNO NAP 0.006484 0.41396 7.77778
28 2OOR TXP 0.004118 0.41995 8.04598
29 3TDC 0EU 0.02072 0.42188 8.12379
30 1KZL CRM 0.0012 0.40056 9.61539
31 5UKL SIX 0.006726 0.40916 9.73451
32 1UY4 XYP XYP XYP XYP 0.02625 0.4031 10.3448
33 1O8B ABF 0.01895 0.40417 12.3288
34 2WLG SOP 0.008506 0.42844 13.9535
35 5ECP JAA 0.01954 0.40124 14.3498
36 5ECP MET 0.01954 0.40124 14.3498
37 5ECP ATP 0.02068 0.40105 14.3498
38 1EZ0 NAP 0.000001574 0.57594 29.4004
39 3HAZ NAD 0.00000000003263 0.78127 35.3965
40 5KF6 NAD 0.000000000004785 0.82397 38.1045
41 4NS3 NAD 0.000000001148 0.6739 38.4913
42 2Y5D NAP 0.0000003226 0.60013 39.7004
43 4LH0 GLV 0.00000002176 0.66899 41.0058
44 5UCD NAP 0.00000004599 0.54794 43.5449
45 4ZUL UN1 0.00000001441 0.66421 44.4874
46 4OE4 NAD 0.000000006419 0.64295 46.4217
47 2BJK NAD 0.00000000003811 0.78893 47.8682
48 1KY8 NAP 0.00000000005127 0.52279 47.9042
49 4I3V NAD 0.000000006169 0.6829 48.9754
50 3EFV NAD 0.0000004364 0.49381 49.1342
Pocket No.: 2; Query (leader) PDB : 4I9B; Ligand: 1KA; Similar sites found: 78
This union binding pocket(no: 2) in the query (biounit: 4i9b.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5JBE GLC GLC GLC GLC GLC 0.01234 0.41051 1.16054
2 1HV9 COA 0.02834 0.42249 1.31579
3 1QXO FMN 0.004764 0.43255 1.54639
4 4JJJ CE6 0.02795 0.42602 1.54739
5 5FAL SKT 0.03175 0.40789 1.78571
6 5FAL COA 0.03175 0.40789 1.78571
7 1YNH SUO 0.02415 0.40298 2.18341
8 1VPE ANP 0.006157 0.43262 2.26131
9 4ZAH T5K 0.01683 0.40849 2.27273
10 1QPG MAP 0.009698 0.42588 2.40964
11 4WAS NAP 0.0175 0.4161 2.47253
12 4WAS COO 0.02201 0.41286 2.47253
13 3VC1 GST 0.0404 0.40244 2.5641
14 2PTR 2SA 0.0006851 0.4903 2.5974
15 5JAQ NAI 0.04193 0.40817 2.70936
16 4TWL ASC 0.01087 0.40568 2.84553
17 3C56 PH4 0.01143 0.40453 2.9316
18 4MV1 ADP 0.03606 0.40728 2.99145
19 3FPF MTA 0.04685 0.40152 3.02013
20 3FPF TNA 0.04685 0.40152 3.02013
21 1NP7 FAD 0.02844 0.40962 3.06748
22 1ELU PDA 0.01151 0.41567 3.07692
23 1ELU CSS 0.01504 0.4137 3.07692
24 4YFB PAC 0.008882 0.40329 3.37079
25 1J39 UPG 0.03147 0.41974 3.4188
26 4EIL NDP 0.03845 0.40279 3.48162
27 1JYL CDC 0.004118 0.43089 3.54331
28 4E1O PLP PVH 0.01349 0.42521 3.7422
29 1HFS L04 0.03577 0.42469 3.75
30 3FW3 ETS 0.003858 0.40689 3.7594
31 1ZPR CB3 0.004772 0.44898 3.78788
32 1FWM CB3 0.003192 0.43624 3.78788
33 1DMY AZM 0.0041 0.43198 4.03226
34 2EG5 XTS 0.008947 0.40895 4.30108
35 2Q2V NAD 0.02171 0.41982 4.31373
36 1JS3 PLP 142 0.006598 0.40133 4.32099
37 1SKQ GDP 0.02866 0.40202 4.36782
38 3RDE OYP 0.001445 0.42751 4.44874
39 2R5V HHH 0.003776 0.41342 4.48179
40 1TPY 16A 0.03022 0.40235 4.87805
41 3MTW M3R 0.003076 0.44147 5.21092
42 4QJP V1F 0.009281 0.42324 5.32319
43 1ZBQ NAD 0.02315 0.41878 5.41586
44 4TXJ THM 0.04917 0.40893 5.74324
45 2HHJ DG2 0.003668 0.4403 5.99251
46 1LOX RS7 0.001928 0.43966 5.99613
47 2ZB4 NAP 0.01064 0.45732 6.44258
48 2ZB4 5OP 0.01102 0.45732 6.44258
49 3ESS 18N 0.02933 0.40167 6.52174
50 4ZL4 4PK 0.03785 0.415 6.53153
51 2DM6 IMN 0.04156 0.40212 6.60661
52 1XCL SAH 0.03235 0.41866 6.80851
53 4KVG GTP 0.01078 0.42653 6.92308
54 3TDH AMP 0.02317 0.41627 7.07965
55 1PHP ADP 0.005267 0.43306 7.1066
56 5HZ9 5M8 0.009863 0.41717 7.40741
57 4U0O MTA 0.03797 0.41566 7.77027
58 2QRD ADP 0.003076 0.42339 7.78443
59 3QP8 HL0 0.003469 0.43436 8.69565
60 3O26 NDP 0.01244 0.40102 9.00322
61 4V1T ADP 0.01933 0.40284 9.375
62 1KPH SAH 0.01274 0.44107 9.40767
63 1VG0 GDP 0.04751 0.40147 9.66184
64 3CXH SMA 0.02671 0.40605 10.3175
65 4NON GDP 0.02268 0.41802 10.3846
66 1DBT U5P 0.006406 0.40137 10.4603
67 1VG9 GDP 0.04674 0.4006 10.8108
68 5BYZ 4WE 0.00947 0.4079 11.7816
69 3BGD PM6 0.01939 0.4014 12.3077
70 3TKL GTP 0.01069 0.42297 13.7755
71 3Q72 GNP 0.02615 0.41335 17.4699
72 1TD2 PXL 0.01053 0.40419 18.4669
73 2UZ2 BTN 0.03198 0.40315 25.3846
74 2A06 SMA 0.02724 0.41674 35.8974
75 3SZB I1E 0.000007504 0.54415 36.0341
76 4LH0 GLV 0.000006238 0.59993 41.0058
77 4ZUL UN1 0.00004987 0.54019 44.4874
78 4I3V NAD 0.000008874 0.61578 48.9754
Pocket No.: 3; Query (leader) PDB : 4I9B; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4i9b.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4I9B; Ligand: 1KA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4i9b.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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