Receptor
PDB id Resolution Class Description Source Keywords
1NM5 2.4 Å EC: 1.6.1.2 R. RUBRUM TRANSHYDROGENASE (DI.Q132N)2(DIII)1 ASYMMETRIC COM RHODOSPIRILLUM RUBRUM ASYMMETRIC COMPLEX ROSSMAN DOMAIN OXIDOREDUCTASE
Ref.: GLUTAMINE 132 IN THE NAD(H)-BINDING COMPONENT OF PROTON-TRANSLOCATING TRANSHYDROGENASE TETHERS THE NUCLEOTIDES BEFORE HYDRIDE TRANSFER. BIOCHEMISTRY V. 42 1217 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL B:501;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NAD A:400;
B:500;
Valid;
Valid;
none;
none;
Kd = 20 uM
663.425 C21 H27 N7 O14 P2 c1cc(...
NAP C:300;
Valid;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1NM5 2.4 Å EC: 1.6.1.2 R. RUBRUM TRANSHYDROGENASE (DI.Q132N)2(DIII)1 ASYMMETRIC COM RHODOSPIRILLUM RUBRUM ASYMMETRIC COMPLEX ROSSMAN DOMAIN OXIDOREDUCTASE
Ref.: GLUTAMINE 132 IN THE NAD(H)-BINDING COMPONENT OF PROTON-TRANSLOCATING TRANSHYDROGENASE TETHERS THE NUCLEOTIDES BEFORE HYDRIDE TRANSFER. BIOCHEMISTRY V. 42 1217 2003
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1U28 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1NM5 Kd = 20 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1HZZ Kd = 30 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1U2G - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
5 2FSV Kd ~ 20 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2OOR Kd = 300 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1U28 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1NM5 Kd = 20 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1HZZ Kd = 30 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1U2G - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
6 2FSV Kd ~ 20 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2OOR Kd = 300 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1U28 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1NM5 Kd = 20 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1HZZ Kd = 30 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1U2G - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
6 2FSV Kd ~ 20 uM 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: NAP; Similar ligands found: 127
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NAD IBO 0.688 0.921053
10 NHD 0.68254 0.958904
11 NJP 0.661417 0.972973
12 NAJ PYZ 0.659091 0.898734
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 NXX 0.619048 0.959459
16 ZID 0.605839 0.972603
17 NAQ 0.59854 0.922078
18 ATR 0.59292 0.917808
19 NAE 0.591241 0.946667
20 NDE 0.58042 0.986301
21 A22 0.571429 0.958904
22 AMP NAD 0.571429 0.933333
23 NAJ 0.567164 0.986111
24 A2R 0.563025 0.932432
25 NDC 0.561644 0.922078
26 NA7 0.552846 0.907895
27 ODP 0.551471 0.935065
28 A2P 0.539823 0.930556
29 8ID 0.537313 0.910256
30 NAD BBN 0.525974 0.865854
31 NPW 0.525547 0.8875
32 CNA 0.521739 0.959459
33 NZQ 0.521739 0.910256
34 NAD CJ3 0.519231 0.835294
35 NDP 0.514493 0.922078
36 PO4 PO4 A A A A PO4 0.503937 0.930556
37 DG1 0.503401 0.922078
38 1DG 0.503401 0.922078
39 NAD TDB 0.5 0.696078
40 TXP 0.5 0.922078
41 NMN AMP PO4 0.492958 0.921053
42 XNP 0.492958 0.875
43 25L 0.492308 0.958904
44 25A 0.492063 0.972222
45 NAD NDT 0.490909 0.747368
46 NMN 0.486726 0.888889
47 NGD 0.485714 0.935065
48 2AM 0.477876 0.891892
49 ADP 0.458333 0.945205
50 PAP 0.451613 0.931507
51 ADP MG 0.45082 0.906667
52 BEF ADP 0.447154 0.883117
53 ADP BEF 0.447154 0.883117
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 ADP PO3 0.44 0.944444
57 SAP 0.44 0.896104
58 AGS 0.44 0.896104
59 M33 0.439024 0.906667
60 AR6 AR6 0.438849 0.945205
61 BA3 0.438017 0.945205
62 ATP MG 0.436508 0.906667
63 ADP BMA 0.43609 0.92
64 OAD 0.43609 0.92
65 ATP 0.435484 0.945205
66 OOB 0.435115 0.958904
67 B4P 0.434426 0.945205
68 AP5 0.434426 0.945205
69 GAP 0.433071 0.92
70 0WD 0.432432 0.922078
71 5FA 0.432 0.945205
72 2A5 0.432 0.87013
73 AQP 0.432 0.945205
74 00A 0.428571 0.909091
75 CA0 0.427419 0.92
76 ALF ADP 0.426357 0.871795
77 ADP ALF 0.426357 0.871795
78 ACP 0.424 0.92
79 NAJ PZO 0.423841 0.897436
80 9SN 0.423358 0.897436
81 VO4 ADP 0.423077 0.932432
82 ANP MG 0.423077 0.896104
83 ADP VO4 0.423077 0.932432
84 WAQ 0.422222 0.884615
85 ACQ 0.421875 0.92
86 V3L 0.421875 0.945205
87 ADQ 0.421053 0.92
88 AR6 0.420635 0.918919
89 APR 0.420635 0.918919
90 ATP A A A 0.42029 0.958333
91 CO7 0.419753 0.786517
92 1ZZ 0.419118 0.841463
93 3OD 0.419118 0.92
94 DLL 0.41791 0.958904
95 AD9 0.417323 0.92
96 NAX 0.416667 0.875
97 OVE 0.416667 0.857143
98 MYR AMP 0.416058 0.841463
99 AV2 0.415385 0.868421
100 A3P 0.414634 0.944444
101 NNR 0.414414 0.72973
102 ALF ADP 3PG 0.413793 0.8625
103 OMR 0.413793 0.831325
104 LA8 ALF 3PG 0.413793 0.8625
105 ANP 0.410853 0.92
106 A1R 0.410448 0.860759
107 ABM 0.409836 0.893333
108 AMP 0.408333 0.944444
109 A 0.408333 0.944444
110 SON 0.408 0.933333
111 PPS 0.407692 0.829268
112 5AL 0.407692 0.932432
113 TYR AMP 0.407143 0.933333
114 NAI 0.406897 0.909091
115 7D3 0.406504 0.857143
116 DAL AMP 0.406015 0.932432
117 ADX 0.404762 0.829268
118 ATF 0.40458 0.907895
119 3UK 0.404412 0.945946
120 AMP DBH 0.404255 0.894737
121 139 0.402685 0.875
122 AMP MG 0.401639 0.893333
123 50T 0.401575 0.906667
124 SRP 0.401515 0.907895
125 A A 0.40146 0.972222
126 FA5 0.4 0.933333
127 3AM 0.4 0.90411
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1NM5; Ligand: NAP; Similar sites found: 166
This union binding pocket(no: 1) in the query (biounit: 1nm5.bio1) has 51 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GXU 2HP 0.01425 0.44227 None
2 1XTP SAI 0.03784 0.40021 2.3622
3 3A25 SAM 0.01293 0.42287 2.65781
4 4RQU NAD 0.009066 0.40589 2.66667
5 3W6X HZP 0.03463 0.41258 3.05677
6 1NJR XYL 0.002731 0.43004 3.44828
7 2EJU SAH 0.02341 0.41038 3.44828
8 1DXY NAD 0.009508 0.40974 3.44828
9 4GK9 MAN BMA MAN MAN MAN 0.04951 0.42206 3.58423
10 5H81 NAP 0.008271 0.42299 3.59897
11 2IZ1 ATR 0.0001525 0.56357 3.64583
12 3RFV 15L 0.009248 0.41025 3.74532
13 1HYE NAP 0.01808 0.4049 3.83387
14 4KRG SAH 0.02663 0.4136 3.90625
15 3ICS ADP 0.003035 0.46961 3.94089
16 1PIG BGC GLC 0.001349 0.4658 3.94089
17 3ICT ADP 0.005052 0.45806 3.94089
18 1I9G SAM 0.005166 0.43543 3.94089
19 1T9D FAD 0.0004238 0.43124 3.94089
20 4K28 NAD 0.01298 0.40634 3.94089
21 3U9Z ADP 0.0385 0.40258 3.94089
22 1IM8 SAI 0.02662 0.40227 3.94089
23 2B6N ALA PRO THR 0.01919 0.41581 3.95683
24 3SSO SAH 0.005069 0.43581 4.05728
25 2Z48 A2G 0.03712 0.42018 4.16667
26 2PT9 S4M 0.0177 0.40048 4.36137
27 1UAY ADN 0.005118 0.45358 4.4335
28 3LRE ADP 0.01596 0.43759 4.4335
29 3S5W NAP 0.01104 0.43649 4.4335
30 2VDV SAM 0.03207 0.41263 4.4335
31 1DSS NAD 0.01426 0.40457 4.4335
32 3LST SAH 0.04676 0.4041 4.4335
33 5N58 93W 0.0476 0.4068 4.51128
34 1P1C SAH 0.01142 0.41388 4.52261
35 1L3I SAH 0.005991 0.41828 4.6875
36 2CDU ADP 0.001788 0.46825 4.92611
37 2DPM SAM 0.008546 0.42234 4.92611
38 5X62 SAH 0.03257 0.40621 4.92611
39 2Q1W NAD 0.007724 0.40003 4.92611
40 1G55 SAH 0.03158 0.40136 4.95627
41 1EJ0 SAM 0.0243 0.40959 5
42 1VI2 NAD 0.01907 0.4064 5
43 5GZ6 NDP 0.01114 0.41992 5.21472
44 5GZ6 7C3 0.01859 0.40436 5.21472
45 4IF4 BEF 0.02138 0.43484 5.28846
46 3GPO APR 0.01253 0.41207 5.35714
47 1LVL NAD 0.005221 0.43521 5.41872
48 3MB5 SAM 0.006571 0.42464 5.41872
49 1CDO NAD 0.005598 0.41954 5.41872
50 3G89 SAM 0.03073 0.41358 5.41872
51 4HXY NDP 0.004897 0.41217 5.41872
52 1WY7 SAH 0.02933 0.40029 5.41872
53 2HJR APR 0.0003583 0.48111 5.4878
54 2YVJ NAI 0.01192 0.42458 5.50459
55 5MF6 7M2 0.002372 0.42475 5.62914
56 5MF6 AR6 0.002372 0.42475 5.62914
57 1R18 SAH 0.006495 0.42778 5.72687
58 3EGI ADP 0.002578 0.48866 5.82524
59 1KYQ NAD 0.006652 0.44026 5.91133
60 3VYW SAM 0.005948 0.43258 5.91133
61 4NBU NAI 0.009755 0.4002 5.91133
62 5VN0 NAI 0.01592 0.40017 5.91133
63 1ZQ9 SAM 0.008503 0.43166 5.96491
64 2PWY SAH 0.007261 0.4227 6.20155
65 2HNK SAH 0.006702 0.43018 6.40394
66 2YX1 SFG 0.02732 0.41623 6.40394
67 4JK3 NAD 0.008203 0.41247 6.40394
68 1BW9 NAD 0.01408 0.41244 6.40394
69 1PL6 NAD 0.004375 0.43877 6.46067
70 1W73 NAP 0.009909 0.41399 6.62252
71 1W8D NAP 0.01119 0.41166 6.62252
72 1NYT NAP 0.01327 0.40593 6.64207
73 4A6D SAM 0.03261 0.40068 6.79887
74 3OJO NAD 0.001722 0.45065 6.89655
75 2CH5 NDG 0.0192 0.42769 6.89655
76 2EG5 SAH 0.02617 0.4172 6.89655
77 4TQG NDP 0.00537 0.41528 6.89655
78 2G5C NAD 0.00494 0.41436 6.89655
79 3PT9 SAH 0.02493 0.40905 6.89655
80 3SIG AR6 0.0111 0.41999 7.22022
81 3BRE C2E 0.0494 0.40941 7.26257
82 1V6A TRE 0.00002413 0.60692 7.38916
83 2HK9 ATR 0.0002934 0.52842 7.38916
84 1LTH NAD 0.003735 0.42435 7.38916
85 2PS1 ORO 0.0425 0.41636 7.38916
86 2HK9 NAP 0.01188 0.40801 7.38916
87 3ABI NAD 0.007086 0.408 7.38916
88 2V6G NAP 0.007318 0.4052 7.41758
89 1A5Z NAD 0.001867 0.45243 7.52351
90 5JE8 NAD 0.00428 0.42722 7.61589
91 1ZMD NAI 0.01639 0.40193 7.8125
92 3ZG6 APR 0.0007769 0.47353 7.88177
93 1T5C ADP 0.01863 0.43709 7.88177
94 3CBG SAH 0.01848 0.41841 7.88177
95 2NXE SAM 0.02532 0.40872 7.88177
96 3M89 GSP 0.02795 0.41909 8.33333
97 4DMG SAM 0.01302 0.43655 8.37438
98 4E13 NAD 0.005597 0.43381 8.37438
99 1YBH FAD 0.001254 0.4168 8.37438
100 1DL5 SAH 0.013 0.40393 8.37438
101 3BXO SAM 0.04869 0.40319 8.37438
102 1ZEM NAD 0.01483 0.40148 8.39695
103 4KOA NDP 0.04273 0.40032 8.40841
104 2DT5 NAD 0.007166 0.41011 8.53081
105 1JG3 ADN 0.003832 0.44833 8.86699
106 1W8S FBP 0.0427 0.40616 8.86699
107 1G8K MGD 0.003709 0.40394 9.02256
108 4I5I NAD 0.001944 0.43622 9.05923
109 2F1K NAP 0.01328 0.40591 9.319
110 3L9W GSH 0.006269 0.41251 9.35961
111 3L9W AMP 0.006572 0.40707 9.35961
112 4N49 SAM 0.02749 0.40161 9.35961
113 2BFR ADP 0.004454 0.4322 9.375
114 3EGV SAH 0.02575 0.41128 9.52381
115 3GEG NAD 0.00733 0.41209 9.7166
116 1DJN ADP 0.005576 0.42783 9.85222
117 2WPB ZZI 0.04547 0.4185 9.85222
118 1I0Z NAI 0.005103 0.41379 9.85222
119 3RKR NAP 0.03213 0.41939 9.92366
120 3MYZ TFX 0.0005042 0.51886 10
121 4KXQ APR 0.0007164 0.47134 10
122 2Q28 ADP 0.00002633 0.54677 10.3448
123 3GU3 SAH 0.00696 0.45507 10.3448
124 1F3L SAH 0.01777 0.4078 10.5919
125 1MUU NAD 0.01012 0.41104 10.6771
126 3U31 NAD 0.0001424 0.50322 10.8374
127 1GV0 NAD 0.002374 0.42727 10.8374
128 1O6Z NAD 0.005711 0.42453 10.8911
129 3DXY SAM 0.01466 0.43385 11.0092
130 4RDH AMP 0.002746 0.46315 11.1111
131 1M2K APR 0.0002528 0.47325 11.33
132 3G2O SAM 0.009194 0.43002 11.33
133 1X87 NAD 0.006595 0.42457 11.33
134 1Y8Q ATP 0.008239 0.41752 11.33
135 3DUW SAH 0.0218 0.40904 11.33
136 2AG8 NAP 0.01851 0.40965 11.4068
137 2HMT NAI 0.0006791 0.4724 11.8056
138 3FUU ADN 0.01416 0.41795 11.8227
139 1XDS SAM 0.02681 0.41666 11.8227
140 1F8F NAD 0.004366 0.42685 12.1294
141 1LSS NAD 0.001044 0.46758 12.1429
142 3EWP APR 0.006874 0.41574 12.3153
143 1GUX ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.006943 0.44298 12.5
144 1P77 ATR 0.000124 0.56231 12.8079
145 2NVK NAP 0.00975 0.4563 13.3005
146 3B1F NAD 0.002279 0.44849 13.7931
147 1OMO NAD 0.0009037 0.45972 14.7783
148 1E5Q NDP 0.01221 0.40055 14.7783
149 3A27 SAM 0.0212 0.41247 15.2709
150 1V59 NAD 0.0007505 0.50126 15.7635
151 2ZWS PLM 0.01862 0.43186 15.7635
152 4BUZ NAD 0.00137 0.44258 16.2562
153 4BUZ OCZ 0.002299 0.42529 16.2562
154 4BUZ OAD 0.002339 0.425 16.2562
155 1MV8 NAD 0.002172 0.43703 16.7488
156 2D24 XYS XYS 0.03284 0.42203 16.7488
157 1S7G NAD 0.0006007 0.44855 17.2414
158 1S7G APR 0.001355 0.42933 17.2414
159 2ZIF SAM 0.02897 0.40315 17.5084
160 1O94 ADP 0.007734 0.41873 17.8125
161 5E8J SAH 0.04614 0.40441 18.1818
162 3H8V ATP 0.005775 0.43975 18.2266
163 1XXR MAN 0.02447 0.43859 19.2547
164 5JAX 6J7 0.03528 0.4074 20.7407
165 5DUS APR 0.001602 0.45545 20.8333
166 4JCA CIT 0.01037 0.4475 21.5569
Pocket No.: 2; Query (leader) PDB : 1NM5; Ligand: NAD; Similar sites found: 218
This union binding pocket(no: 2) in the query (biounit: 1nm5.bio1) has 52 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GXU 2HP 0.01461 0.44227 None
2 1XTP SAI 0.0376 0.40104 2.3622
3 2ZFI ADP 0.02498 0.42601 2.45902
4 4YCA NDP 0.01148 0.40699 2.46305
5 3A25 SAM 0.0134 0.42287 2.65781
6 4RQU NAD 0.0008107 0.44997 2.66667
7 1CER NAD 0.01143 0.40708 2.71903
8 2RGJ FAD 0.007075 0.40229 2.95567
9 3W6X HZP 0.03552 0.41258 3.05677
10 3DCJ THH 0.02719 0.41385 3.25581
11 1DXY NAD 0.001044 0.45142 3.44828
12 1NJR XYL 0.003 0.42915 3.44828
13 2EJU SAH 0.02422 0.41038 3.44828
14 1UXG NAD 0.003544 0.40349 3.44828
15 5H81 NAP 0.002123 0.45073 3.59897
16 2IZ1 ATR 0.0001583 0.56357 3.64583
17 3RFV 15L 0.01007 0.40943 3.74532
18 4KRG SAH 0.02713 0.4139 3.90625
19 3ICS ADP 0.0001349 0.54108 3.94089
20 3ICT ADP 0.0003033 0.5227 3.94089
21 1X7D NAD 0.001298 0.44154 3.94089
22 4K28 NAD 0.002432 0.43866 3.94089
23 4IQY AR6 0.003368 0.43845 3.94089
24 1I9G SAM 0.005373 0.43543 3.94089
25 1T9D FAD 0.0004733 0.43046 3.94089
26 1P31 EPU 0.01025 0.4285 3.94089
27 1SOW NAD 0.001741 0.42842 3.94089
28 5LD5 NAD 0.008252 0.42098 3.94089
29 3U9Z ADP 0.03975 0.40258 3.94089
30 1IM8 SAI 0.02811 0.40187 3.94089
31 2B6N ALA PRO THR 0.01698 0.42205 3.95683
32 3SSO SAH 0.005272 0.43581 4.05728
33 5CAE COA 0.007043 0.4213 4.16667
34 2Z48 A2G 0.03807 0.42018 4.16667
35 3GD4 NAD 0.01488 0.40945 4.16667
36 3GFB NAD 0.00572 0.41739 4.28571
37 1UAY ADN 0.005304 0.45358 4.4335
38 3S5W NAP 0.006055 0.44674 4.4335
39 1DSS NAD 0.001787 0.44447 4.4335
40 1U8X NAD 0.002581 0.43467 4.4335
41 1HYH NAD 0.001912 0.42933 4.4335
42 2VDV SAM 0.03308 0.41263 4.4335
43 3LST SAH 0.04793 0.40423 4.4335
44 3S5W FAD 0.00908 0.40221 4.4335
45 5N58 93W 0.04903 0.4068 4.51128
46 1P1C SAH 0.007535 0.42275 4.52261
47 3H9E NAD 0.002406 0.43597 4.62428
48 1L3I SAH 0.007325 0.41534 4.6875
49 2CDU ADP 0.0001421 0.52308 4.92611
50 2DPM SAM 0.00924 0.42156 4.92611
51 2VYN NAD 0.005437 0.41585 4.92611
52 5X62 SAH 0.03067 0.40821 4.92611
53 1G55 SAH 0.03266 0.40136 4.95627
54 1VI2 NAD 0.00876 0.42262 5
55 1EJ0 SAM 0.02513 0.40959 5
56 1PZG A3D 0.004042 0.40338 5.13595
57 2Q0L NAP 0.004194 0.45475 5.14469
58 5GZ6 7C3 0.007633 0.4225 5.21472
59 3JV7 NAD 0.00818 0.40624 5.21739
60 4IF4 BEF 0.02196 0.43484 5.28846
61 1LVL NAD 0.0003632 0.48974 5.41872
62 1CDO NAD 0.0005623 0.46286 5.41872
63 3MB5 SAM 0.00684 0.42464 5.41872
64 3G89 SAM 0.03171 0.41358 5.41872
65 4PLG NAI 0.002195 0.41311 5.41872
66 1HKU NAD 0.005238 0.4118 5.41872
67 4HXY NDP 0.00524 0.41179 5.41872
68 2XYQ SAH 0.03243 0.40419 5.41872
69 2HJR APR 0.0001153 0.50408 5.4878
70 2YVJ NAI 0.0009248 0.47888 5.50459
71 5MF6 7M2 0.002399 0.42539 5.62914
72 5MF6 AR6 0.002399 0.42539 5.62914
73 1R18 SAH 0.006756 0.42778 5.72687
74 2RBK VN4 0.03201 0.42958 5.74713
75 3EGI ADP 0.002667 0.48866 5.82524
76 1KYQ NAD 0.002662 0.46061 5.91133
77 3VYW SAM 0.007343 0.42911 5.91133
78 5VN0 NAI 0.005201 0.42169 5.91133
79 1O0S NAI 0.008036 0.4215 5.91133
80 1B8U NAD 0.01498 0.41468 5.91133
81 1ZQ9 SAM 0.00926 0.43064 5.96491
82 1D1T NAD 0.003094 0.41858 6.16622
83 2PWY SAH 0.007556 0.4227 6.20155
84 2GV8 NDP 0.01872 0.40251 6.25
85 4JK3 NAD 0.000548 0.46334 6.40394
86 1EZ4 NAD 0.0009646 0.45288 6.40394
87 1BW9 NAD 0.002706 0.44592 6.40394
88 2HNK SAH 0.006966 0.43018 6.40394
89 1C1X NAD 0.004147 0.42589 6.40394
90 1NPD NAD 0.008067 0.4187 6.40394
91 2YX1 SFG 0.0282 0.41623 6.40394
92 1PL6 NAD 0.0004821 0.48403 6.46067
93 1PL6 572 0.005589 0.40844 6.46067
94 1W73 NAP 0.01031 0.41399 6.62252
95 1W8D NAP 0.01141 0.41204 6.62252
96 1NYT NAP 0.005543 0.42315 6.64207
97 3OJO NAD 0.0002029 0.49309 6.89655
98 2G5C NAD 0.001782 0.43316 6.89655
99 3V1Y NAD 0.002987 0.43197 6.89655
100 2A92 NAI 0.001737 0.42846 6.89655
101 5MQ6 NDP 0.005807 0.42783 6.89655
102 2EG5 SAH 0.02543 0.41855 6.89655
103 4TQG NDP 0.005612 0.41528 6.89655
104 3PT9 SAH 0.02579 0.40905 6.89655
105 2F6U CIT 0.04479 0.41956 7.26496
106 1V6A TRE 0.00002517 0.60692 7.38916
107 2HK9 ATR 0.000123 0.54951 7.38916
108 1LTH NAD 0.0002231 0.48734 7.38916
109 2HK9 NAP 0.002702 0.43382 7.38916
110 2V7Y ADP 0.02474 0.41285 7.38916
111 1HDG NAD 0.01158 0.40925 7.38916
112 2D2I NAP 0.01675 0.40713 7.38916
113 2V6G NAP 0.007435 0.4057 7.41758
114 1A5Z NAD 0.0001583 0.5021 7.52351
115 9LDB NAD 0.0005796 0.45007 7.53012
116 5TUK FAD 0.004983 0.415 7.55208
117 5JE8 NAD 0.0008945 0.45748 7.61589
118 2Y6P CTP 0.02857 0.41594 7.69231
119 2DFV NAD 0.004184 0.42309 7.78098
120 1ZMD NAI 0.001391 0.44917 7.8125
121 1YLH PYR 0.02968 0.43423 7.8125
122 3ZG6 APR 0.0008215 0.47329 7.88177
123 1WDK NAD 0.001608 0.45284 7.88177
124 3CBG SAH 0.01161 0.42912 7.88177
125 4J36 FAD 0.003976 0.41202 7.88177
126 2NXE SAM 0.02619 0.40872 7.88177
127 3M89 GSP 0.02882 0.41909 8.33333
128 4E13 NAD 0.0004539 0.48524 8.37438
129 4DMG SAM 0.01345 0.43655 8.37438
130 1WP4 NDP 0.003781 0.42494 8.37438
131 2CVZ NDP 0.006023 0.41897 8.37438
132 1YBH FAD 0.001599 0.4139 8.37438
133 1DL5 SAH 0.01409 0.40318 8.37438
134 1ZEM NAD 0.01544 0.40148 8.39695
135 4KOA NDP 0.004365 0.45005 8.40841
136 2DT5 NAD 0.00106 0.44517 8.53081
137 1JG3 ADN 0.003982 0.44833 8.86699
138 1J5P NAD 0.006458 0.41518 8.86699
139 1G8K MGD 0.004307 0.40236 9.02256
140 4I5I NAD 0.002056 0.43604 9.05923
141 2F1K NAP 0.002632 0.43431 9.319
142 3L9W GSH 0.002141 0.43256 9.35961
143 3L9W AMP 0.003664 0.41802 9.35961
144 4GKV NAD 0.002645 0.41663 9.35961
145 1VJT NAD 0.02394 0.40782 9.35961
146 2BFR ADP 0.006828 0.42468 9.375
147 3EGV SAH 0.02662 0.41128 9.52381
148 3IHG FAD 0.00292 0.42197 9.63542
149 3GEG NAD 0.008155 0.41092 9.7166
150 1DJN ADP 0.000117 0.5038 9.85222
151 1I0Z NAI 0.001949 0.43158 9.85222
152 2WPB ZZI 0.04674 0.4185 9.85222
153 1GQ2 NAP 0.008627 0.40755 9.89583
154 3RKR NAP 0.02923 0.42231 9.92366
155 3MYZ TFX 0.0005196 0.51886 10
156 4KXQ APR 0.0007494 0.47134 10
157 3VPH OXM 0.0009787 0.4307 10.3226
158 3VPH NAD 0.001423 0.42937 10.3226
159 2Q28 ADP 0.00002771 0.54677 10.3448
160 3GU3 SAH 0.007197 0.45507 10.3448
161 3KB6 NAD 0.003992 0.42395 10.3448
162 1V8B NAD 0.003478 0.40781 10.4167
163 4CJX NAP 0.01354 0.40629 10.4167
164 1F3L SAH 0.01843 0.4078 10.5919
165 1MUU NAD 0.0006646 0.46306 10.6771
166 3U31 NAD 0.000159 0.50201 10.8374
167 1GV0 NAD 0.0008139 0.44699 10.8374
168 4II2 ATP 0.002954 0.4475 10.8434
169 1O6Z NAD 0.001734 0.44814 10.8911
170 3DXY SAM 0.01524 0.43369 11.0092
171 4RDH AMP 0.001413 0.47843 11.1111
172 1M2K APR 0.000305 0.47077 11.33
173 1Y8Q ATP 0.002963 0.43789 11.33
174 3G2O SAM 0.009535 0.43002 11.33
175 1X87 NAD 0.005905 0.42751 11.33
176 3DUW SAH 0.02257 0.40904 11.33
177 2AG8 NAP 0.01586 0.41352 11.4068
178 1J49 NAD 0.002305 0.43125 11.4114
179 2HMT NAI 0.0001051 0.5102 11.8056
180 3FUU ADN 0.01594 0.41625 11.8227
181 1XDS SAM 0.02837 0.41609 11.8227
182 1F8F NAD 0.001316 0.45022 12.1294
183 1LSS NAD 0.00003077 0.53945 12.1429
184 5TUF FAD 0.007245 0.40398 12.2396
185 3EWP APR 0.009535 0.41045 12.3153
186 1GUX ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.007195 0.44298 12.5
187 1P77 ATR 0.00004789 0.58642 12.8079
188 2B4R AES 0.007905 0.40684 12.8079
189 5N53 8NB 0.01526 0.44784 12.8205
190 2NVK NAP 0.01006 0.4563 13.3005
191 3B1F NAD 0.0003854 0.4845 13.7931
192 4ONQ SFG 0.03758 0.40105 13.7931
193 1SC6 NAD 0.00187 0.4272 13.8021
194 2DKH FAD 0.001311 0.43076 14.0625
195 2DKH 3HB 0.003888 0.40012 14.0625
196 4E5N NAD 0.003626 0.4182 14.2424
197 3BAZ NAP 0.004426 0.42739 14.2857
198 1E3I CXF 0.002121 0.41581 14.3617
199 1OMO NAD 0.00009614 0.50343 14.7783
200 3A27 SAM 0.02194 0.41247 15.2709
201 1V59 NAD 0.0002253 0.52944 15.7635
202 2ZWS PLM 0.01907 0.43186 15.7635
203 1OBB NAD 0.02131 0.4 15.7635
204 4BUZ NAD 0.001339 0.44385 16.2562
205 4BUZ OCZ 0.002483 0.42478 16.2562
206 4BUZ OAD 0.002843 0.42244 16.2562
207 1MV8 NAD 0.0002706 0.47638 16.7488
208 2D24 XYS XYS 0.03369 0.42203 16.7488
209 1S7G NAD 0.0006348 0.44849 17.2414
210 1S7G APR 0.001542 0.42801 17.2414
211 2ZIF SAM 0.03068 0.40266 17.5084
212 1O94 ADP 0.0001863 0.49078 17.8125
213 5E8J SAH 0.04487 0.40573 18.1818
214 3H8V ATP 0.0004752 0.49281 18.2266
215 2FKA BEF 0.03597 0.43006 20.155
216 5DUS APR 0.004676 0.43508 20.8333
217 4JCA CIT 0.01064 0.4475 21.5569
218 1SAY PYR 0.000767 0.4372 49.0305
Pocket No.: 3; Query (leader) PDB : 1NM5; 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: 1nm5.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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