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Receptor
PDB id Resolution Class Description Source Keywords
1NNU 2.5 Å EC: 1.3.1.9 CRYSTAL STRUCTURE ANALYSIS OF PLASMODIUM FALCIPARUM ENOYL- ACYL-CARRIER-PROTEIN REDUCTASE WITH TRICLOSAN ANALOG PLASMODIUM FALCIPARUM ROSSMANN FOLD NADH SHORT CHAIN DEHYDROGENASE REDUCTASE OXIDOREDUCTASE
Ref.: STRUCTURAL ELUCIDATION OF THE SPECIFICITY OF THE ANTIBACTERIAL AGENT TRICLOSAN FOR MALARIAL ENOYL ACYL CARRIER PROTEIN REDUCTASE J.BIOL.CHEM. V. 277 13106 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD A:450;
B:550;
Valid;
Valid;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
TCT A:500;
B:600;
Valid;
Valid;
none;
none;
Ki = 0.015 uM
286.71 C16 H11 Cl O3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1NNU 2.5 Å EC: 1.3.1.9 CRYSTAL STRUCTURE ANALYSIS OF PLASMODIUM FALCIPARUM ENOYL- ACYL-CARRIER-PROTEIN REDUCTASE WITH TRICLOSAN ANALOG PLASMODIUM FALCIPARUM ROSSMANN FOLD NADH SHORT CHAIN DEHYDROGENASE REDUCTASE OXIDOREDUCTASE
Ref.: STRUCTURAL ELUCIDATION OF THE SPECIFICITY OF THE ANTIBACTERIAL AGENT TRICLOSAN FOR MALARIAL ENOYL ACYL CARRIER PROTEIN REDUCTASE J.BIOL.CHEM. V. 277 13106 2002
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 2NQ8 ic50 = 320 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
2 1NHG Ki = 0.05 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
3 1NNU Ki = 0.015 uM TCT C16 H11 Cl O3 c1cc(cc2c1....
4 1NHW Ki = 14.3 uM TCC C12 H9 Cl2 N O c1ccc(c(c1....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2FOI ic50 = 440 nM JPA C19 H14 Cl2 O2 Cc1ccccc1c....
2 2NQ8 ic50 = 320 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
3 1NHG Ki = 0.05 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
4 1NNU Ki = 0.015 uM TCT C16 H11 Cl O3 c1cc(cc2c1....
5 1NHW Ki = 14.3 uM TCC C12 H9 Cl2 N O c1ccc(c(c1....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2FOI ic50 = 440 nM JPA C19 H14 Cl2 O2 Cc1ccccc1c....
2 2NQ8 ic50 = 320 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
3 1NHG Ki = 0.05 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
4 1NNU Ki = 0.015 uM TCT C16 H11 Cl O3 c1cc(cc2c1....
5 1NHW Ki = 14.3 uM TCC C12 H9 Cl2 N O c1ccc(c(c1....
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
Ligand no: 2; Ligand: TCT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 TCT 1 1
2 DCN 0.5 0.846154
3 CH8 0.45614 0.846154
4 CHJ 0.416667 0.694444
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1NNU; Ligand: NAD; Similar sites found with APoc: 337
This union binding pocket(no: 1) in the query (biounit: 1nnu.bio2) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 4RJD TFP None
2 4YEF 4CQ None
3 1Z0N BCD None
4 3O7W SAM 1.31004
5 2CFC NAD 1.74672
6 1WK8 VMS 2.06186
7 1N7G NDP 2.18341
8 1N7G GDR 2.18341
9 1DE6 RNS 2.18341
10 2JAP NDP 2.42915
11 2JAH NDP 2.42915
12 4HBM 0Y7 2.5
13 1A27 NAP 2.62009
14 3HB5 NAP 2.62009
15 1B0U ATP 2.62009
16 2GN4 UD1 3.05677
17 2GN4 NDP 3.05677
18 4HXY NDP 3.05677
19 1G6H ADP 3.05677
20 2Q46 NAP 3.05677
21 1K7V NAG GAL BGC 3.22581
22 3CH6 311 3.33333
23 3CH6 NAP 3.33333
24 5OOH 9ZZ 3.39806
25 5OOH NAP 3.39806
26 4A34 FUL 3.40136
27 3SJU NDP 3.49345
28 1GZ6 NAI 3.49345
29 4YAC NAI 3.49345
30 4OEV OXL 3.49345
31 3VPD CIT 3.49345
32 3WXB NDP 3.93013
33 5XWV 8H6 3.93013
34 5XWV NDP 3.93013
35 4GLL NAD 3.93013
36 4C2G ALA ALA ALA ALA 3.93013
37 5DF1 58X 4.36681
38 5DF1 NAP 4.36681
39 6DNT NAD 4.36681
40 3B5J 12D 4.36681
41 1U7T TDT 4.80349
42 1U7T NAD 4.80349
43 4PVD NDP 4.80349
44 1SB8 UD2 4.80349
45 1VL0 NAI 4.80349
46 1SB8 NAD 4.80349
47 1RKX NAD 4.80349
48 1UAY ADN 4.80349
49 5GT9 NAP 5
50 2V6G NAP 5
51 1EK6 NAI 5
52 1RPN NDP 5
53 1EK6 UPG 5
54 2BKA NDP 5
55 3ORF NAD 5
56 2D2F ADP 5
57 5OFW 9TW 5
58 4DDS 0J7 5
59 3BEO UDP 5
60 5WQP NCA 5.24017
61 5WQP NAP 5.24017
62 3RFV NAI 5.24017
63 3RFV 15L 5.24017
64 2Q2V NAD 6.11354
65 5YSS NAD 6.11354
66 1UDB UFG 6.11354
67 1UDB NAD 6.11354
68 2Q1W NAD 6.11354
69 4POS NAG SIA GAL 6.11354
70 4U7W NDP 6.11354
71 2GDZ NAD 6.55022
72 3KO8 NAD 6.55022
73 1ZBQ NAD 6.55022
74 5IN4 6CK 6.55022
75 5IN4 GDP 6.55022
76 5IN4 NAP 6.55022
77 1GY8 NAD 6.55022
78 5BJX NAD 6.66667
79 4LHD GLY 6.66667
80 5BJX UDP 6.66667
81 2C5A GDC 6.66667
82 2C5A NAD 6.66667
83 3WMX NAD 6.66667
84 6BWL NAD 6.66667
85 5CX6 CDP 6.66667
86 5UXF 2BA 6.66667
87 4QYN RTL 6.76692
88 2YAJ 4HP 6.97674
89 4Y9D NAI 6.9869
90 1WVG APR 6.9869
91 5Z75 NAD 7.42358
92 1Y1P NMN AMP PO4 7.42358
93 1DTL BEP 7.45342
94 3I7V B4P 7.46269
95 1BO4 COA 7.7381
96 1LOJ U 8.04598
97 4PL8 ATP 8.21918
98 4CPB GAL CN8 8.26446
99 4EUE NAI 8.29694
100 2PZE ATP 8.29694
101 4WZ6 ATP 8.29694
102 1ORR NAD 8.29694
103 1XSE NDP 8.33333
104 2PK3 A2R 8.33333
105 3A4V PYR 8.33333
106 3A4V NAD 8.33333
107 5Y1G NAD 8.33333
108 5Y1G AKB 8.33333
109 2CBZ ATP 8.33333
110 3NHB ADP 8.33333
111 4J7U YTZ 8.73362
112 4J7U NAP 8.73362
113 1Z6Z NAP 8.73362
114 5Z2L NDP 8.73362
115 5JAQ NAI 8.73362
116 3FXU TSU 8.73362
117 1YQT ADP 9.60699
118 4AU8 Z3R 9.60699
119 4DOO DAO 9.7561
120 2HMT NAI 10
121 5L4L NAP 10
122 3ABI NAD 10
123 4PIV NDP 10
124 1Z45 NAD 10
125 1OC2 NAD 10
126 1OC2 TDX 10
127 3RKR NAP 10.0437
128 1GU3 BGC BGC BGC BGC BGC 10.0671
129 5O98 NAP 11.6667
130 4NBU NAI 11.6667
131 4ZA2 NAD 11.6667
132 4G5H NAP 11.6667
133 4G5H UD7 11.6667
134 5F5N NAD 11.6667
135 2X6T NAP 12.2271
136 1EQ2 NAP 12.2271
137 4YAG NAI 12.6638
138 4C2C ALA ALA ALA 12.6638
139 2BD0 NAP 13.1004
140 1WMA NDP 13.1004
141 1WMA AB3 13.1004
142 2FR1 NDP 13.1004
143 1F6D UDP 13.1004
144 3O26 NDP 13.3333
145 1BDB NAD 13.3333
146 4FN4 NAD 13.3333
147 3BPX SAL 13.3333
148 1E6W NAD 13.3333
149 1E3W NAD 13.3333
150 2AWN ADP 13.3333
151 5MLR GRQ 13.3333
152 5MLR NAP 13.3333
153 4ZRN NAD 13.3333
154 4ZRN UPG 13.3333
155 3R6K FUC GAL GLA 13.3333
156 2C29 NAP 13.3333
157 3KP6 SAL 13.3333
158 2PCU ASP 13.3333
159 2C29 DQH 13.3333
160 4OKD GLC GLC GLC 13.3333
161 5K5M 68T 13.3333
162 4K26 SFF 13.4058
163 4K26 NDP 13.4058
164 3VZS CAA 13.5371
165 3VZS NAP 13.5371
166 6EL3 NAP 13.9738
167 1XG5 NAP 14.4105
168 3RV5 DXC 14.6067
169 1SNY NAP 14.8472
170 1N5D NDP 14.8472
171 5L4S 6KX 15
172 5L4S NAP 15
173 1E7S NAP 15
174 2PZM NAD 15
175 2PZM UDP 15
176 5ME4 HP4 15
177 4GK9 MAN BMA MAN MAN MAN 15
178 5MSO NAP 15
179 4OBW SAM 15
180 5NM7 GLY 16.6667
181 2GRU EXO 16.6667
182 1OAA OAA 17.4672
183 2PRG BRL 18.1818
184 3VPQ GSH 18.3333
185 1R6D NAD 18.3333
186 1R6D DAU 18.3333
187 5O42 9JW 18.7773
188 5O42 NAD 18.7773
189 5O42 BGC 18.7773
190 3LU1 NAD 19.6507
191 1PR9 NAP 20
192 3D3W NAP 20
193 3AFN NAP 20
194 4J1Q NDP 20
195 4TQG NDP 20
196 4R1S NAP 20
197 6F8A HIS 20
198 3RJ5 NAD 21.6667
199 1JPA ANP 21.6667
200 3TN7 NJP 21.7899
201 5ZEC NAP 21.8341
202 5K4W THR 22.2707
203 5K4W NAI 22.2707
204 4RF2 NAP 23.3333
205 4KWI NAP 23.3333
206 4KWI 1TJ 23.3333
207 1ZK4 NAP 23.3333
208 1ZK4 AC0 23.3333
209 1RL4 BL5 23.3333
210 1I2B UPG 23.3333
211 1I2B NAD 23.3333
212 1I2B USQ 23.3333
213 5OJI ISN 23.5808
214 5OJI NAP 23.5808
215 5G4L NDP 24.0175
216 1NFQ NAI 25
217 4ITU 1HS 25
218 4ITU NAI 25
219 2YY7 NAD 25
220 4OSP NAP 25
221 3V1U NAD 25
222 2D1K ATP 25
223 1KEW NAD 25.3275
224 1KEW TYD 25.3275
225 3O03 NAP 26.6667
226 5WUW NAP 26.6667
227 4NBW NAD 26.6667
228 4JP3 CIT 26.6667
229 5EPO NAP 26.6667
230 5EPO TUD 26.6667
231 1QXW M1C 26.6667
232 2W58 ADP 26.7327
233 3ZV6 4HB 27.0742
234 3ZV6 NAD 27.0742
235 1XHL NDP 27.0742
236 2WSB NAD 28.3333
237 5GWT NAD 28.3333
238 6F9Q NAD 28.3333
239 5GWT SIN 28.3333
240 3ICC NAP 28.3333
241 1XKQ NDP 28.3333
242 1JA9 NDP 28.3333
243 1W8D NAP 28.3333
244 1W73 NAP 28.3333
245 1H5Q NAP 28.3333
246 4BCQ TJF 28.3333
247 5FFF NAP 30
248 5FFF 5XC 30
249 2AG5 NAD 30
250 5B4T NAD 30
251 5B4T 3HR 30
252 5FEU NAP 30
253 6CI9 NAP 30
254 1GEG NAD 31.6667
255 4QED NAP 31.6667
256 2RH4 EMO 31.6667
257 5T2U NAP 31.6667
258 2EWM NAD 31.6667
259 3GEG NAD 31.6667
260 1ZEM NAD 31.6667
261 1BXK NAD 31.6667
262 3AY6 NAI 33.3333
263 3AY6 BGC 33.3333
264 4FC7 NAP 33.3333
265 4FC7 COA 33.3333
266 1IY8 NAD 33.3333
267 1EDO NAP 33.3333
268 4NBT NAD 33.3333
269 5E8J SAH 33.3333
270 5TVM PUT 33.3333
271 2B4Q NAP 35
272 3QWI CUE 35
273 1GEE NAD 35
274 3QWI NAP 35
275 1X1T NAD 35
276 1Q7B NAP 35
277 5OVL NAP 35
278 5OVK NDP 35
279 1W6U NAP 35.3712
280 2DKN NAI 36.6667
281 4O0L NDP 36.6667
282 4URF NAD 36.6667
283 5L53 NAP 36.6667
284 3U4C NDP 36.6667
285 2ZAT NAP 38.3333
286 1UZN NAP 38.3333
287 3H4V DVP 38.3333
288 3H4V NAP 38.3333
289 2AE2 PTO 39.738
290 2AE2 NAP 39.738
291 3A28 NAD 40
292 2BGM NAJ 40
293 3NUG NAD 41.6667
294 2DTX BMA 41.6667
295 1YXM ADE 41.6667
296 5JDI NAP 41.6667
297 5THQ NDP 41.6667
298 3SJ7 NDP 41.6667
299 2VZ0 NAP 41.6667
300 2VZ0 D64 41.6667
301 3JQB NAP 41.6667
302 4CM9 NAP 41.6667
303 3JQA NAP 41.6667
304 5JDC NAP 41.6667
305 4CME NAP 41.6667
306 3BMO NAP 41.6667
307 4CLR NAP 41.6667
308 5JCJ NAP 41.6667
309 2WD7 NAP 41.6667
310 1MXH DHF 41.6667
311 3BMQ NAP 41.6667
312 4CLO NAP 41.6667
313 3JQ8 NAP 41.6667
314 3JQ7 NAP 41.6667
315 1MXH NAP 41.6667
316 3JQF NAP 41.6667
317 4CM8 NAP 41.6667
318 4CM4 NAP 41.6667
319 3BMN NAP 41.6667
320 3JQG NAP 41.6667
321 3JQ9 NAP 41.6667
322 4CMI NAP 41.6667
323 1FK8 NAD 41.6667
324 5K6A NAP 41.6667
325 1AE1 NAP 42.3581
326 5EJ2 NAD 43.3333
327 1G0N NDP 43.3333
328 1G0N PHH 43.3333
329 4CQM NAP 43.3333
330 1O5I NAD 43.3333
331 3OID NDP 45
332 3OID TCL 45
333 1VL8 NAP 45
334 2WYV NAD 46.6667
335 5ENZ UDP 46.6667
336 4D42 NAP 48.3333
337 4D42 W0I 48.3333
Pocket No.: 2; Query (leader) PDB : 1NNU; Ligand: NAD; 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: 1nnu.bio2) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1NNU; Ligand: NAD; Similar sites found with APoc: 292
This union binding pocket(no: 3) in the query (biounit: 1nnu.bio2) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 5ZZ6 ADP None
2 2XVM SAH None
3 1TE2 PGA None
4 3K0T BGC None
5 5ZZ6 NAD None
6 4E5N NAD 1.31004
7 2PX8 SAH 1.74672
8 2I3G NAP 1.74672
9 2PWY SAH 1.74672
10 4OM8 NAD 2.18341
11 3LKZ SFG 2.18341
12 6ECU SAH 2.18341
13 5TH5 MET 2.18341
14 3WV8 ATP 2.29358
15 3W6G FLC 2.31481
16 9LDT NAD 2.62009
17 1SC6 NAD 2.62009
18 9LDB NAD 2.62009
19 1LTH NAD 2.62009
20 1QAN SAH 2.62009
21 5ZBR ANP 2.62009
22 1EJ0 SAM 2.77778
23 3B1F NAD 3.05677
24 1V6A TRE 3.05677
25 5L95 AMP 3.05677
26 3H8V ATP 3.05677
27 1LDM NAD 3.05677
28 2XYQ SAH 3.05677
29 2WA2 SAM 3.05677
30 1CF2 NAP 3.05677
31 3G2O SAM 3.05677
32 5W7K SAH 3.05677
33 2P4S DIH 3.05677
34 1CER NAD 3.05677
35 1SU2 ATP 3.14465
36 1KZL CRM 3.36538
37 1RM4 NDP 3.49345
38 4L8V NAP 3.49345
39 3M89 GSP 3.49345
40 4NV0 MG7 3.49345
41 5KUT GDP 3.7037
42 3B20 NAD 3.93013
43 4RDH AMP 3.93013
44 4RDI ATP 3.93013
45 3B1J NAD 3.93013
46 4WNP 3RJ 3.93013
47 2D2I NAP 3.93013
48 1O0S NAI 3.93013
49 5DNK SAH 3.93013
50 4D79 ATP 4.36681
51 4ZGS NAD 4.36681
52 4NEC SAH 4.36681
53 2P0D I3P 4.65116
54 5FTB ANP 4.80349
55 1KYQ NAD 4.80349
56 5THY SAH 4.80349
57 5THZ SAH 4.80349
58 5BSH PRO 4.80349
59 1T57 FMN 4.85437
60 2HK9 ATR 5
61 3MN9 ATP 5
62 4UCI SAM 5
63 4DE0 0JB 5
64 1GAD NAD 5
65 3MN6 ATP 5
66 3U4L ATP 5
67 3MN7 ATP 5
68 4OOE NDP 5
69 1DSS NAD 5
70 5N53 8NB 5
71 4KIB SAH 5
72 2HK9 NAP 5
73 5YJF 8WO 5
74 5YJF SAH 5
75 2DFV NAD 5
76 4UAA 3GK 5
77 4MNP SLB 5.24017
78 3UVD MB3 5.64516
79 1QMG DMV 5.67686
80 2J5V PCA 5.67686
81 5UAV TFB 5.67686
82 4LWP SAH 5.67686
83 5UAV NDP 5.67686
84 5VGS 9A4 5.73248
85 1EBF NAD 5.86592
86 1I36 NAP 6.11354
87 2UYQ SAM 6.11354
88 1BXG NAD 6.11354
89 1C1X NAD 6.11354
90 1HYE NAP 6.11354
91 1BW9 NAD 6.11354
92 1NVT NAP 6.27178
93 4S00 AKR 6.55022
94 3ITJ CIT 6.66667
95 2ZWA SAH 6.66667
96 1OMO NAD 6.66667
97 4YEE 4CQ 6.66667
98 4JBL MET 6.66667
99 5AOA PPI 6.9869
100 4Z94 ATP 6.9869
101 2PBD ATP 6.9869
102 4PKG ATP 6.9869
103 4PKI ATP 6.9869
104 2V51 ATP 6.9869
105 3QDK QDK 6.9869
106 4B1V ATP 6.9869
107 5ULP KB1 6.9869
108 1O6Z NAD 6.9869
109 4CBX ATP 7.08661
110 4CBU ATP 7.08661
111 1YAG ATP 7.2
112 4U00 ADP 7.42358
113 2FF3 ATP 7.42358
114 5ZZB ATP 7.42358
115 2PAV ATP 7.42358
116 5ZZA ATP 7.42358
117 1KXP ATP 7.42358
118 5YPU ATP 7.42358
119 2A42 ATP 7.42358
120 3MN5 ATP 7.42358
121 2FF6 ATP 7.42358
122 2A3Z ATP 7.42358
123 3SJH ATP 7.42358
124 1NYT NAP 7.42358
125 3GFB NAD 7.42358
126 2Q97 ATP 7.42358
127 4YCA NDP 7.42358
128 5OJL TXP 8.29694
129 5OCM NAP 8.29694
130 5OSW DIU 8.29694
131 5UR0 NAD 8.29694
132 3L9W AMP 8.33333
133 5MPT SAH 8.33333
134 2Q1S NAI 8.33333
135 2IZ1 ATR 8.33333
136 1GV0 NAD 8.33333
137 1GUZ NAD 8.33333
138 3AB4 THR 8.33333
139 3BAZ NAP 8.33333
140 2B4R NAD 8.33333
141 2B4R AES 8.33333
142 1Z82 NDP 8.33333
143 1FP1 SAH 8.73362
144 5JE8 NAD 9.17031
145 1F8G NAD 9.60699
146 5A04 BGC 9.60699
147 2VYN NAD 9.60699
148 3FSY SCA 9.60699
149 1NPD NAD 9.60699
150 1VI2 NAD 9.60699
151 2DT5 NAD 9.95261
152 6FDF SAH 10
153 3U7Q HCA 10
154 1TZD ADP 10
155 4BHL ARG 10
156 3O7J 2AL 10
157 1UWK URO 10
158 1UWK NAD 10
159 5T9E NAP 10
160 1ZH8 NAP 10
161 1P77 ATR 10.0437
162 1FDJ 13P 10.0437
163 6G47 SIA 10.0478
164 3QV1 NAD 10.3858
165 5KEW 6SB 10.4167
166 4YMU ATP 10.4803
167 2RHO GDP 10.917
168 5XVH NAP 11.3537
169 2OOR NAD 11.4943
170 4XB2 NDP 11.6667
171 1NXJ TLA 11.6667
172 4D3F NAP 11.6667
173 2JHP SAH 11.6667
174 2VUT NAD 11.6667
175 3ICS ADP 11.6667
176 3ICT ADP 11.6667
177 1TI7 NAP 11.6667
178 5AYV NAP 11.6667
179 3V0W PA1 GLC GLC GLC GM0 GLA GM0 GMH KDO KDO 11.6667
180 2NVK NAP 11.6667
181 5H81 NAP 11.6667
182 1ZQ9 SAM 11.6667
183 1HDR NAD 11.6667
184 4JK3 NAD 11.6667
185 4XB2 HSE 11.6667
186 2VDV SAM 11.6667
187 3L4S NAD 11.6667
188 3JQQ A2P 11.6667
189 1SQF SAM 11.6667
190 6AA8 NAD 11.6667
191 4OIC A8S 11.6667
192 1NVM NAD 11.6667
193 2EXX NAP 11.6667
194 3L4S 3PG 11.6667
195 4CPA GLY 11.6667
196 1E5Q NDP 11.7904
197 1OFU GDP 11.875
198 3I6I NDP 12.2271
199 3CIF NAD 12.6638
200 1SOW NAD 12.6638
201 3CIF G3H 12.6638
202 4RHS SIA SIA GAL 13.1004
203 1HDG NAD 13.1004
204 2F1K NAP 13.3333
205 2CDU ADP 13.3333
206 4LZB URA 13.3333
207 3W9R A8S 13.3333
208 6D6Y SAH 14.4105
209 1YS4 NAP 14.4105
210 5W7R SAH 14.8472
211 5U5G NAP 15
212 1LDN NAD 15
213 3GU3 SAH 15
214 2AG8 NAP 15
215 2BKX F6R 15
216 5MQ6 NDP 15
217 1R18 SAH 15
218 5LD5 NAD 15
219 2JJQ SAH 15.2838
220 1LC3 NAD 15.3061
221 6C4T NA7 16.1572
222 3V1Y NAD 16.5939
223 1PJS NAD 16.6667
224 5Z49 RUB 16.6667
225 3ULK NDP 16.6667
226 3A06 NDP 16.6667
227 3HQP FDP 16.6667
228 2VAR AMP 16.6667
229 3KB6 NAD 16.6667
230 1R6B ADP 16.6667
231 1MV8 NAD 16.6667
232 2P41 SAH 17.0306
233 3EVG SAH 17.0306
234 2YVJ NAI 17.4312
235 4Z0H NAD 17.4672
236 4E13 NAD 18.3333
237 5CUQ NSC 18.3333
238 1RM0 NAI 18.3333
239 3T7S SAM 18.3333
240 1HYH NAD 18.3406
241 1WP4 NDP 18.3406
242 1LSS NAD 18.5714
243 3OJO NAD 20
244 1WDK NAD 20
245 3H5N ATP 20
246 1LLU NAD 20
247 5YEC ATP 21.6667
248 1X87 NAD 21.6667
249 4N49 SAM 21.6667
250 1YJQ NAP 21.6667
251 6BII NAP 21.6667
252 1X14 NAD 21.6667
253 1HDC CBO 21.6667
254 4B1W ATP 21.875
255 4B1X ATP 21.875
256 2JL1 NAP 23.3333
257 1A5Z NAD 23.3333
258 5YEE ATP 23.3333
259 1PL6 NAD 23.3333
260 6CEP NAD 23.3333
261 6C4M NAP 23.3333
262 1I4D GDP 23.3333
263 6CEP OXM 23.3333
264 2DBZ NAP 23.3333
265 2HJR APR 26.6667
266 2VT3 ATP 26.6667
267 6C4N NAP 28.3333
268 5TCI MLI 28.3333
269 4RKS MEV 28.3333
270 5ERG SAM 30
271 1EZ4 NAD 30
272 6G5Q EMZ 30
273 2A40 ATP 31.25
274 1RJD SAM 31.6667
275 2EB5 OXL 31.6667
276 5AOV NAP 31.6667
277 4FZV SAM 31.6667
278 5WHT SIA GAL GLC 32.6087
279 5E9W SAH 33.3333
280 2GZ3 NAP 36.6667
281 2DC1 CIT 36.6667
282 2DC1 NAD 36.6667
283 5W7M SAH 36.6667
284 5FI3 NAP 38.3333
285 3TLJ SAH 38.3333
286 1O94 ADP 43.3333
287 1DJN ADP 43.3333
288 1WDA BAG 43.3333
289 3GGO NAI 46.6667
290 2G5C NAD 46.6667
291 3GGO ENO 46.6667
292 4XQC 13D 46.6667
Pocket No.: 4; Query (leader) PDB : 1NNU; Ligand: NAD; 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: 1nnu.bio2) has 38 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1NNU; Ligand: TCT; Similar sites found with APoc: 344
This union binding pocket(no: 5) in the query (biounit: 1nnu.bio2) has 39 residues
No: Leader PDB Ligand Sequence Similarity
1 4RJD TFP None
2 3K0T BGC None
3 4YEF 4CQ None
4 1Z0N BCD None
5 3O7W SAM 1.31004
6 2CFC NAD 1.74672
7 1WK8 VMS 2.06186
8 1N7G NDP 2.18341
9 1N7G GDR 2.18341
10 2JAP NDP 2.42915
11 2JAH NDP 2.42915
12 1A27 NAP 2.62009
13 3HB5 NAP 2.62009
14 1B0U ATP 2.62009
15 3HQ9 OXL 3.05677
16 2GN4 UD1 3.05677
17 2GN4 NDP 3.05677
18 4HXY NDP 3.05677
19 1G6H ADP 3.05677
20 2Q46 NAP 3.05677
21 1K7V NAG GAL BGC 3.22581
22 3CH6 311 3.33333
23 3CH6 NAP 3.33333
24 5NE2 DGL 3.33333
25 5OOH 9ZZ 3.39806
26 5OOH NAP 3.39806
27 4A34 FUL 3.40136
28 3SJU NDP 3.49345
29 1GZ6 NAI 3.49345
30 4YAC NAI 3.49345
31 4OEV OXL 3.49345
32 3VPD CIT 3.49345
33 3MMH SME 3.59281
34 5KUT GDP 3.7037
35 3WXB NDP 3.93013
36 5XWV 8H6 3.93013
37 5XWV NDP 3.93013
38 4GLL NAD 3.93013
39 4C2G ALA ALA ALA ALA 3.93013
40 5DF1 58X 4.36681
41 5DF1 NAP 4.36681
42 6DNT NAD 4.36681
43 3B5J 12D 4.36681
44 1U7T TDT 4.80349
45 1U7T NAD 4.80349
46 4PVD NDP 4.80349
47 1SB8 UD2 4.80349
48 1VL0 NAI 4.80349
49 1SB8 NAD 4.80349
50 1RKX NAD 4.80349
51 5GT9 NAP 5
52 2V6G NAP 5
53 1RPN NDP 5
54 1EK6 NAI 5
55 2BKA NDP 5
56 1EK6 UPG 5
57 3ORF NAD 5
58 2D2F ADP 5
59 5OFW 9TW 5
60 4DDS 0J7 5
61 3BEO UDP 5
62 6BT6 3GK 5
63 5WQP NCA 5.24017
64 5WQP NAP 5.24017
65 3RFV NAI 5.24017
66 3RFV 15L 5.24017
67 2Q2V NAD 6.11354
68 5YSS NAD 6.11354
69 1UDB NAD 6.11354
70 1UDB UFG 6.11354
71 4POS NAG SIA GAL 6.11354
72 2Q1W NAD 6.11354
73 4U7W NDP 6.11354
74 2GDZ NAD 6.55022
75 3KO8 NAD 6.55022
76 1ZBQ NAD 6.55022
77 5IN4 6CK 6.55022
78 5IN4 GDP 6.55022
79 5IN4 NAP 6.55022
80 1GY8 NAD 6.55022
81 5BJX NAD 6.66667
82 4LHD GLY 6.66667
83 5BJX UDP 6.66667
84 2C5A NAD 6.66667
85 2C5A GDC 6.66667
86 3WMX NAD 6.66667
87 6BWL NAD 6.66667
88 5CX6 CDP 6.66667
89 5UXF 2BA 6.66667
90 4QYN RTL 6.76692
91 2YAJ 4HP 6.97674
92 4Y9D NAI 6.9869
93 1WVG APR 6.9869
94 3QDK QDK 6.9869
95 5Z75 NAD 7.42358
96 1Y1P NMN AMP PO4 7.42358
97 1DTL BEP 7.45342
98 3I7V B4P 7.46269
99 1BO4 COA 7.7381
100 4PL8 ATP 8.21918
101 4CPB GAL CN8 8.26446
102 4EUE NAI 8.29694
103 2PZE ATP 8.29694
104 4WZ6 ATP 8.29694
105 1ORR NAD 8.29694
106 1XSE NDP 8.33333
107 2PK3 A2R 8.33333
108 3A4V PYR 8.33333
109 3A4V NAD 8.33333
110 5Y1G NAD 8.33333
111 5Y1G AKB 8.33333
112 2CBZ ATP 8.33333
113 3NHB ADP 8.33333
114 3ZJQ NCA 8.33333
115 4J7U YTZ 8.73362
116 4J7U NAP 8.73362
117 1Z6Z NAP 8.73362
118 5Z2L NDP 8.73362
119 5JAQ NAI 8.73362
120 3FXU TSU 8.73362
121 1YQT ADP 9.60699
122 4DOO DAO 9.7561
123 2HMT NAI 10
124 5L4L NAP 10
125 3ABI NAD 10
126 4PIV NDP 10
127 1Z45 NAD 10
128 1OC2 TDX 10
129 1OC2 NAD 10
130 2FT0 ACO 10
131 3RKR NAP 10.0437
132 1GU3 BGC BGC BGC BGC BGC 10.0671
133 2OOR NAD 11.4943
134 5O98 NAP 11.6667
135 4NBU NAI 11.6667
136 4ZA2 NAD 11.6667
137 4G5H UD7 11.6667
138 4G5H NAP 11.6667
139 5F5N NAD 11.6667
140 6DXS HJ7 11.6667
141 2X6T NAP 12.2271
142 1EQ2 NAP 12.2271
143 4YAG NAI 12.6638
144 4C2C ALA ALA ALA 12.6638
145 2BD0 NAP 13.1004
146 1WMA NDP 13.1004
147 1WMA AB3 13.1004
148 2FR1 NDP 13.1004
149 1F6D UDP 13.1004
150 3O26 NDP 13.3333
151 1BDB NAD 13.3333
152 4FN4 NAD 13.3333
153 3BPX SAL 13.3333
154 1E6W NAD 13.3333
155 1E3W NAD 13.3333
156 5MLR GRQ 13.3333
157 5MLR NAP 13.3333
158 2AWN ADP 13.3333
159 4ZRN NAD 13.3333
160 4ZRN UPG 13.3333
161 3R6K FUC GAL GLA 13.3333
162 2C29 NAP 13.3333
163 3KP6 SAL 13.3333
164 2PCU ASP 13.3333
165 4OKD GLC GLC GLC 13.3333
166 2C29 DQH 13.3333
167 5K5M 68T 13.3333
168 4K26 SFF 13.4058
169 4K26 NDP 13.4058
170 3VZS CAA 13.5371
171 3VZS NAP 13.5371
172 6EL3 NAP 13.9738
173 1XG5 NAP 14.4105
174 3RV5 DXC 14.6067
175 1SNY NAP 14.8472
176 1N5D NDP 14.8472
177 5L4S 6KX 15
178 5L4S NAP 15
179 1E7S NAP 15
180 5ME4 HP4 15
181 4GK9 MAN BMA MAN MAN MAN 15
182 2PZM NAD 15
183 2PZM UDP 15
184 5MSO NAP 15
185 4OBW SAM 15
186 5NM7 GLY 16.6667
187 2GRU EXO 16.6667
188 5BN3 ADP 16.6667
189 1OAA OAA 17.4672
190 2PRG BRL 18.1818
191 3VPQ GSH 18.3333
192 1R6D NAD 18.3333
193 1R6D DAU 18.3333
194 5O42 NAD 18.7773
195 5O42 BGC 18.7773
196 5O42 9JW 18.7773
197 3LU1 NAD 19.6507
198 1PR9 NAP 20
199 3D3W NAP 20
200 3AFN NAP 20
201 4J1Q NDP 20
202 4TQG NDP 20
203 6F8A HIS 20
204 4R1S NAP 20
205 3RJ5 NAD 21.6667
206 1JPA ANP 21.6667
207 3TN7 NJP 21.7899
208 5ZEC NAP 21.8341
209 5K4W THR 22.2707
210 5K4W NAI 22.2707
211 4RF2 NAP 23.3333
212 4KWI NAP 23.3333
213 4KWI 1TJ 23.3333
214 1ZK4 AC0 23.3333
215 1ZK4 NAP 23.3333
216 1RL4 BL5 23.3333
217 1I2B UPG 23.3333
218 1I2B NAD 23.3333
219 1I2B USQ 23.3333
220 5OJI ISN 23.5808
221 5OJI NAP 23.5808
222 5G4L NDP 24.0175
223 1NFQ NAI 25
224 4ITU 1HS 25
225 4ITU NAI 25
226 2YY7 NAD 25
227 4OSP NAP 25
228 3V1U NAD 25
229 2D1K ATP 25
230 1KEW NAD 25.3275
231 1KEW TYD 25.3275
232 3O03 NAP 26.6667
233 5WUW NAP 26.6667
234 4NBW NAD 26.6667
235 4JP3 CIT 26.6667
236 5EPO TUD 26.6667
237 5EPO NAP 26.6667
238 2W58 ADP 26.7327
239 3ZV6 4HB 27.0742
240 3ZV6 NAD 27.0742
241 1XHL NDP 27.0742
242 2WSB NAD 28.3333
243 5GWT NAD 28.3333
244 6F9Q NAD 28.3333
245 5GWT SIN 28.3333
246 3ICC NAP 28.3333
247 1XKQ NDP 28.3333
248 1JA9 NDP 28.3333
249 1W8D NAP 28.3333
250 1W73 NAP 28.3333
251 4BCQ TJF 28.3333
252 1H5Q NAP 28.3333
253 5FFF NAP 30
254 5FFF 5XC 30
255 2AG5 NAD 30
256 5B4T 3HR 30
257 5B4T NAD 30
258 5FEU NAP 30
259 6CI9 NAP 30
260 5ERG SAM 30
261 1GEG NAD 31.6667
262 4QED NAP 31.6667
263 2RH4 EMO 31.6667
264 5T2U NAP 31.6667
265 2EWM NAD 31.6667
266 3GEG NAD 31.6667
267 1ZEM NAD 31.6667
268 1BXK NAD 31.6667
269 3AY6 NAI 33.3333
270 3AY6 BGC 33.3333
271 4FC7 NAP 33.3333
272 4FC7 COA 33.3333
273 1IY8 NAD 33.3333
274 1EDO NAP 33.3333
275 4NBT NAD 33.3333
276 5E8J SAH 33.3333
277 5TVM PUT 33.3333
278 2B4Q NAP 35
279 3QWI CUE 35
280 1GEE NAD 35
281 3QWI NAP 35
282 1X1T NAD 35
283 1Q7B NAP 35
284 5OVL NAP 35
285 5OVK NDP 35
286 1W6U NAP 35.3712
287 2DKN NAI 36.6667
288 4O0L NDP 36.6667
289 4URF NAD 36.6667
290 5L53 NAP 36.6667
291 3U4C NDP 36.6667
292 2ZAT NAP 38.3333
293 1UZN NAP 38.3333
294 3H4V DVP 38.3333
295 3H4V NAP 38.3333
296 2AE2 PTO 39.738
297 2AE2 NAP 39.738
298 3A28 NAD 40
299 2BGM NAJ 40
300 3NUG NAD 41.6667
301 2DTX BMA 41.6667
302 1YXM ADE 41.6667
303 5JDI NAP 41.6667
304 5THQ NDP 41.6667
305 3SJ7 NDP 41.6667
306 2VZ0 NAP 41.6667
307 2VZ0 D64 41.6667
308 3JQB NAP 41.6667
309 4CM9 NAP 41.6667
310 3JQA NAP 41.6667
311 4CME NAP 41.6667
312 3BMO NAP 41.6667
313 5JDC NAP 41.6667
314 4CLR NAP 41.6667
315 1MXH DHF 41.6667
316 3JQ7 NAP 41.6667
317 5JCJ NAP 41.6667
318 3BMQ NAP 41.