-->
Receptor
PDB id Resolution Class Description Source Keywords
1NFR 2.1 Å EC: 1.1.1.53 RV2002 GENE PRODUCT FROM MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS DIRECTED EVOLUTION GFP SDR HYDROXYSTEROID DEHYDROGENASE STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE TB STRUCTURAL GENOMICS CONSORTIUM TBSGC OXIDOREDUCTASE
Ref.: DIRECTED EVOLUTION APPROACH TO A STRUCTURAL GENOMICS PROJECT: RV2002 FROM MYCOBACTERIUM TUBERCULOSIS PROC.NATL.ACAD.SCI.USA V. 100 455 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD A:300;
B:1300;
C:2300;
D:3300;
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
1NFQ 2.4 Å EC: 1.1.1.53 RV2002 GENE PRODUCT FROM MYCOBACTERIUM TUBERCULOSIS MYCOBACTERIUM TUBERCULOSIS DIRECTED EVOLUTION SDR GFP HYDROXYSTEROID DEHYDROGENASE STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE TB STRUCTURAL GENOMICS CONSORTIUM TBSGC OXIDOREDUCTASE
Ref.: DIRECTED EVOLUTION APPROACH TO A STRUCTURAL GENOMIC PROJECT: RV2002 FROM MYCOBACTERIUM TUBERCULOSIS PROC.NATL.ACAD.SCI.USA V. 100 455 2003
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1NFF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1NFR - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1NFQ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1NFF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1NFR - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1NFQ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3VZS - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 4BNT ic50 = 137.69 uM 36E C8 H5 F3 N2 c1ccc2c(c1....
3 4BNY ic50 = 0.08 uM 36I C16 H15 N3 O S c1ccc(cc1)....
4 1NFR - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1O5I - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 2ZTL - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 1ZK4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 1ZK0 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
9 3LQF - MRY C4 H10 O4 C([C@H]([C....
10 1CYD - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
11 4ZA2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
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 : 1NFQ; Ligand: NAI; Similar sites found with APoc: 686
This union binding pocket(no: 1) in the query (biounit: 1nfq.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 1LNX URI None
2 5ZDN CDP None
3 1LOJ U None
4 5KK4 44E None
5 5T9E NAP 0.769231
6 2HJR APR 1.15385
7 4N49 SAM 1.15385
8 1YS4 NAP 1.15385
9 5ULP KB1 1.15385
10 2A14 SAH 1.15385
11 2VDV SAM 1.21951
12 1TL2 NDG 1.27119
13 3LU1 NAD 1.53846
14 3ICS ADP 1.53846
15 3ICT ADP 1.53846
16 3OZV ECN 1.53846
17 1U8X NAD 1.53846
18 3P2E SAH 1.53846
19 3H5N ATP 1.69972
20 4AML GYU 1.75439
21 2UVO NDG 1.75439
22 1EYQ NAR 1.8018
23 4EUE NAI 1.92308
24 1B8U NAD 1.92308
25 1PCA CIT 1.92308
26 2WA2 SAM 1.92308
27 1NE7 16G 1.92308
28 1TI7 NAP 1.92308
29 3O9Z AKG 1.92308
30 4PLT NAI 1.92308
31 4PLT OXM 1.92308
32 3O9Z NAD 1.92308
33 2PX8 SAH 1.92308
34 1ZQ9 SAM 1.92308
35 3VPD CIT 1.92308
36 5ZA2 NXL 1.92308
37 1ZH8 NAP 1.92308
38 6BII NAP 1.92308
39 5E1M SAH 2.07469
40 5K7U SAM 2.22222
41 3A4V NAD 2.30769
42 3A4V PYR 2.30769
43 4U7W NDP 2.30769
44 5MSO NAP 2.30769
45 2HK9 ATR 2.30769
46 3EVG SAH 2.30769
47 1P31 EPU 2.30769
48 2ZWA SAH 2.30769
49 1LTH NAD 2.30769
50 2P41 SAH 2.30769
51 5JJR SAH 2.30769
52 4MJ0 SIA SIA 2.30769
53 1E5Q NDP 2.30769
54 6C4T NA7 2.30769
55 5X20 NAD 2.30769
56 5DN9 NAD 2.30769
57 2V7B BEZ 2.30769
58 2HK9 NAP 2.30769
59 1I9G SAM 2.30769
60 3HAV ATP 2.30769
61 2EG5 SAH 2.30769
62 2B4R NAD 2.30769
63 2B4R AES 2.30769
64 1R37 NAD 2.30769
65 1IM8 SAI 2.45902
66 5LXB 7A9 2.47934
67 5LOG SAH 2.57511
68 1QSC ACE TYR PRO ILE GLN GLU THR 2.6178
69 1VM6 NAD 2.63158
70 3K60 ADP 2.69058
71 5XWV 8H6 2.69231
72 5XWV NDP 2.69231
73 1N7G NDP 2.69231
74 1N7G GDR 2.69231
75 1V6A TRE 2.69231
76 1EQ2 NAP 2.69231
77 3ABI NAD 2.69231
78 5A1T NAI 2.69231
79 5A1T OXM 2.69231
80 3T7S SAM 2.69231
81 4MDH NAD 2.69231
82 5CDH TLA 2.69231
83 5MDH NAD 2.69231
84 3LST SAH 2.69231
85 1G60 SAM 2.69231
86 5E9W SAH 2.69231
87 5UR0 NAD 2.69231
88 5E72 SAM 2.69231
89 4BWL MN9 2.69231
90 5E8J SAH 2.69231
91 4RQU NAD 2.69231
92 2WPB ZZI 2.69231
93 4KOA NDP 2.69231
94 5JY6 NAD 2.69231
95 2NAD NAD 2.69231
96 1N2X SAM 2.69231
97 1H2B NAJ 2.69231
98 1J0X NAD 2.69231
99 2FB3 MET 2.69231
100 2I3G NAP 2.69231
101 5T9F TYR 2.69231
102 5T9F NAP 2.69231
103 3MB5 SAM 2.7451
104 3DXY SAM 2.75229
105 2PXX SAH 2.7907
106 3FIU POP 2.81124
107 3KIF GDL 2.83019
108 2DT5 NAD 2.8436
109 3LCC SAH 2.97872
110 5K4W THR 3.07692
111 5K4W NAI 3.07692
112 1VL0 NAI 3.07692
113 2C29 NAP 3.07692
114 2C29 DQH 3.07692
115 3O7W SAM 3.07692
116 1KYQ NAD 3.07692
117 5JGL SAM 3.07692
118 3V1Y NAD 3.07692
119 1F8G NAD 3.07692
120 4NEC SAH 3.07692
121 1LDN NAD 3.07692
122 1RJD SAM 3.07692
123 3OJO NAD 3.07692
124 6D6Y SAH 3.07692
125 3VPH NAD 3.07692
126 4ZGS NAD 3.07692
127 3VPH OXM 3.07692
128 3DM0 GLC GLC 3.07692
129 5Y8L NAD 3.07692
130 5Y8L HUI 3.07692
131 3TKY SAH 3.07692
132 4KYD MAL 3.07692
133 5U5G NAP 3.07692
134 1HKU NAD 3.07692
135 2Q46 NAP 3.16206
136 5TVI O8N 3.26087
137 1QAN SAH 3.27869
138 2DTJ THR 3.37079
139 5OOH 9ZZ 3.39806
140 5OOH NAP 3.39806
141 3KO8 NAD 3.46154
142 4PVD NDP 3.46154
143 2Q1W NAD 3.46154
144 5MPT SAH 3.46154
145 4E13 NAD 3.46154
146 6ECW SAH 3.46154
147 1CER NAD 3.46154
148 6ECU SAH 3.46154
149 5W7R SAH 3.46154
150 4DMG SAM 3.46154
151 3CMC NAD 3.46154
152 5WP4 SAH 3.46154
153 5AYV NAP 3.46154
154 5X9D 80F 3.46154
155 2IXB A2G 3.46154
156 2IXB NAD 3.46154
157 4YCA NDP 3.46154
158 3VYW SAM 3.46154
159 1XX4 BAM 3.46154
160 1OBB NAD 3.46154
161 5WP5 SAH 3.46154
162 4DPL NAP 3.46154
163 1HDG NAD 3.46154
164 4GGZ BTN 3.47826
165 2PWY SAH 3.48837
166 2XVM SAH 3.51759
167 5EES NAP 3.64372
168 3W6G FLC 3.7037
169 2BKA NDP 3.71901
170 4OHU 2TK 3.84615
171 4OHU NAD 3.84615
172 6DNT NAD 3.84615
173 5DF1 58X 3.84615
174 5DF1 NAP 3.84615
175 5JAQ NAI 3.84615
176 5NUF NAD 3.84615
177 1WP4 NDP 3.84615
178 5NUE NAD 3.84615
179 1NYT NAP 3.84615
180 1DSS NAD 3.84615
181 5CAE COA 3.84615
182 3X0D SAH 3.84615
183 2CVZ NDP 3.84615
184 3GWZ SAH 3.84615
185 3BOF HCS 3.84615
186 5ERG SAM 3.84615
187 2DPM SAM 3.84615
188 1LLU NAD 3.84615
189 2GSD NAD 3.84615
190 3GXO SAH 3.84615
191 2E5V FAD 3.84615
192 1Q8A HCS 3.84615
193 1D1T NAD 3.84615
194 5KOK SAH 3.84615
195 4M00 SUC 3.84615
196 1E1M NAP 3.84615
197 1E1M FAD 3.84615
198 3G89 SAM 4.01606
199 3MQ2 SAH 4.12844
200 5HWK BEZ 4.16667
201 1RKX NAD 4.23077
202 4PIV NDP 4.23077
203 2V6G NAP 4.23077
204 1UWK NAD 4.23077
205 1UWK URO 4.23077
206 3H8V ATP 4.23077
207 1BW9 NAD 4.23077
208 5L95 AMP 4.23077
209 3B1F NAD 4.23077
210 1PZG A3D 4.23077
211 1GV0 NAD 4.23077
212 1GUZ NAD 4.23077
213 1C1X NAD 4.23077
214 3G2O SAM 4.23077
215 4M37 SAH 4.23077
216 5H81 NAP 4.23077
217 1SC6 NAD 4.23077
218 1BXG NAD 4.23077
219 2PV7 NAD 4.23077
220 4KRG SAH 4.23077
221 1EBF NAD 4.23077
222 4L8V NAP 4.23077
223 3VC1 SAH 4.23077
224 5IN4 6CK 4.3956
225 5IN4 GDP 4.3956
226 5IN4 NAP 4.3956
227 1KEW NAD 4.43213
228 1KEW TYD 4.43213
229 2C5A NAD 4.61538
230 2C5A GDC 4.61538
231 4TQG NDP 4.61538
232 6EL3 NAP 4.61538
233 2UYQ SAM 4.61538
234 1UXG NAD 4.61538
235 1UXG FUM 4.61538
236 1RM0 D6P 4.61538
237 2GZ3 NAP 4.61538
238 1RM0 NAI 4.61538
239 1X7D NAD 4.61538
240 3L4S NAD 4.61538
241 5KVS NAP 4.61538
242 3KB6 NAD 4.61538
243 6BQ6 TER 4.61538
244 3L4S 3PG 4.61538
245 4R5M NAP 4.61538
246 2IZ1 ATR 4.64135
247 5FTW SAH 4.6875
248 3WCS MAN NAG 4.72441
249 2X6T NAP 4.7619
250 5THZ SAH 4.93827
251 5ZZA LAB 4.95868
252 1SAY PYR 4.98615
253 2YY7 NAD 5
254 1Z45 NAD 5
255 2Q1S NAI 5
256 1PJS NAD 5
257 4LHD GLY 5
258 5KKA 6V0 5
259 5OJL TXP 5
260 4PLG NAI 5
261 4PLG OXM 5
262 4C4A SAH 5
263 3C1O NAP 5
264 4Z0H NAD 5
265 1HYE NAP 5
266 4LWP SAH 5
267 2WPF WPF 5
268 2WPF FAD 5
269 1X14 NAD 5
270 5X30 HCS 5
271 4JK3 NAD 5.01931
272 3WV8 ATP 5.04587
273 2RI1 GLP 5.10638
274 3FSY SCA 5.12048
275 3WLE NAD 5.27859
276 4G5H UD7 5.38462
277 4G5H NAP 5.38462
278 1GY8 NAD 5.38462
279 1ZGA SAH 5.38462
280 1P77 ATR 5.38462
281 1UP7 NAD 5.38462
282 5N6C NAD 5.38462
283 1RM4 NDP 5.38462
284 2VHW NAI 5.38462
285 3LCV SAM 5.38462
286 5HJM MTA 5.38462
287 1GAD NAD 5.38462
288 2QZZ EMF 5.38462
289 2QZZ NAP 5.38462
290 1OMO NAD 5.38462
291 3QV1 NAD 5.38462
292 2DC1 NAD 5.50847
293 2A92 NAI 5.60748
294 1SB8 UD2 5.76923
295 5BJX NAD 5.76923
296 1SB8 NAD 5.76923
297 5BJX UDP 5.76923
298 5MLR GRQ 5.76923
299 5MLR NAP 5.76923
300 5F5N NAD 5.76923
301 4D79 ATP 5.76923
302 5ZZ6 ADP 5.76923
303 2F1K NAP 5.76923
304 1WDK NAD 5.76923
305 1MUU NAD 5.76923
306 4RDH AMP 5.76923
307 5ZZ6 NAD 5.76923
308 2D2I NAP 5.76923
309 4RSL FAD 5.76923
310 3B20 NAD 5.76923
311 6A0S NDP 5.76923
312 6A0S HSE 5.76923
313 5Z20 NAI 5.76923
314 1DNP MHF 5.76923
315 1MV8 NAD 5.76923
316 3B1J NAD 5.76923
317 1GZ4 ATP 5.76923
318 1XDS SAM 5.76923
319 4RDI ATP 5.76923
320 4I5I NAD 5.76923
321 4POO SAM 6
322 1R6D NAD 6.15385
323 1R6D DAU 6.15385
324 1BXK NAD 6.15385
325 4FZV SAM 6.15385
326 1X87 NAD 6.15385
327 4ARU TLA 6.15385
328 3H9E NAD 6.15385
329 1I36 NAP 6.15385
330 2DBZ NAP 6.15385
331 2CDU ADP 6.15385
332 2VYN NAD 6.15385
333 5XLX SAH 6.15385
334 1CF2 NAP 6.15385
335 3BGD SAH 6.15385
336 5AOV NAP 6.25
337 6CEP OXM 6.28743
338 6CEP NAD 6.28743
339 2GN4 UD1 6.53846
340 2GN4 NDP 6.53846
341 5Y1G AKB 6.53846
342 5Y1G NAD 6.53846
343 5ZEC NAP 6.53846
344 1UDB UFG 6.53846
345 1UDB NAD 6.53846
346 1PL6 NAD 6.53846
347 3GFB NAD 6.53846
348 6AA8 NAD 6.53846
349 5LD5 NAD 6.53846
350 5THY SAH 6.53846
351 3CIF NAD 6.53846
352 1A5Z NAD 6.53846
353 3CIF G3H 6.53846
354 1PL6 572 6.53846
355 6ER9 FAD 6.53846
356 4OBW SAM 6.61479
357 4KXQ APR 6.66667
358 1J5P NAD 6.71937
359 4D3F NAP 6.77419
360 4GLL NAD 6.92308
361 1E7S NAP 6.92308
362 1RPN NDP 6.92308
363 1T26 GBD 6.92308
364 1T26 NAI 6.92308
365 4OOE NDP 6.92308
366 4OOE FOM 6.92308
367 1F8F NAD 6.92308
368 4AZW SAM 6.92308
369 1BC5 SAH 6.92308
370 2JEN GLC GLC XYS XYS 6.92308
371 1L7E NAI 6.92308
372 1OC2 NAD 7.30769
373 1OC2 TDX 7.30769
374 2PK3 A2R 7.30769
375 2HMT NAI 7.30769
376 6FDF SAH 7.30769
377 1G55 SAH 7.30769
378 2FJK 13P 7.30769
379 5N2I NAP 7.30769
380 2NU8 COA 7.30769
381 2HIM ASN 7.30769
382 2HIM ASP 7.30769
383 2XYQ SAH 7.37705
384 3BXO SAM 7.53138
385 3OA2 NAD 7.54717
386 4R1S NAP 7.69231
387 4ZVV NAD 7.69231
388 4ZVV GN0 7.69231
389 3GCZ SAM 7.69231
390 4GKV NAD 7.69231
391 1FP2 SAH 7.69231
392 1SQF SAM 7.69231
393 1VJT NAD 7.69231
394 3GU3 SAH 7.69231
395 1DMH MCT 7.69231
396 6C4N NAP 7.69231
397 5EXK 5AD 7.69231
398 3VSE SAH 7.69231
399 4ONQ SFG 7.69231
400 2DFV NAD 7.69231
401 5CUQ NSC 7.69231
402 1NVM NAD 7.69231
403 5JE8 NAD 7.94702
404 5UAV TFB 8.07453
405 5UAV NDP 8.07453
406 1I2B UPG 8.07692
407 1I2B NAD 8.07692
408 1I2B USQ 8.07692
409 3RFV NAI 8.07692
410 3RFV 15L 8.07692
411 1VKO NAD 8.07692
412 6F5W KG1 8.07692
413 5BW4 SAM 8.07692
414 1CT9 GLN 8.07692
415 2CVQ NDP 8.07692
416 3SSO SAH 8.07692
417 4PNE SAH 8.07692
418 2JL1 NAP 8.07692
419 1U1I NAD 8.16327
420 5YEC ATP 8.40336
421 1V35 NAI 8.46154
422 2JHP SAH 8.46154
423 3LKZ SFG 8.46154
424 4OM8 NAD 8.46154
425 4XB2 NDP 8.46154
426 4XB2 HSE 8.46154
427 3TLJ SAH 8.46154
428 1KOL NAD 8.46154
429 5Z21 NAI 8.46154
430 1U3U BNF 8.55615
431 1U3U NAD 8.55615
432 1LSS NAD 8.57143
433 4O1M NAD 8.84615
434 5W7M SAH 8.84615
435 5O9F 9ON 8.84615
436 5O9F NAD 8.84615
437 1HYH NAD 8.84615
438 3NJ4 NAD 8.84615
439 5ZZB LAB 8.84615
440 4QTU SAM 8.88889
441 2YVJ NAI 9.17431
442 4ZRN NAD 9.23077
443 4ZRN UPG 9.23077
444 5L4L NAP 9.23077
445 5L4L 7OX 9.23077
446 9LDT NAD 9.23077
447 3A4T SFG 9.23077
448 9LDB NAD 9.23077
449 3I6I NDP 9.23077
450 1WRA PC 9.23077
451 5F8F SFG 9.23077
452 1Y1P NMN AMP PO4 9.61539
453 1EZ4 NAD 9.61539
454 5ZI9 FLC 9.61539
455 1EX7 5GP 9.67742
456 4B5W PYR 9.76562
457 6BWL NAD 10
458 1LDM NAD 10
459 5OCM NAP 10
460 4XQC 13D 10
461 4XQC NAD 10
462 1O6Z NAD 10
463 5BU2 AMP 10
464 1KYZ SAH 10.3846
465 5WGG SAM 10.3846
466 1DJN ADP 10.3846
467 1FNZ A2G 10.5485
468 1EK6 NAI 10.7692
469 1EK6 UPG 10.7692
470 3L9W AMP 10.7692
471 4UCI SAM 10.7692
472 1E3I CXF 10.7692
473 5YSN 5AD 11.1538
474 4WBD ADP 11.1538
475 5NM7 GLY 11.5385
476 5GM1 SAH 11.5385
477 3T31 FAD 11.5385
478 3T31 DCQ 11.5385
479 1NPD NAD 11.5385
480 5XVH NAP 11.9231
481 4E5N NAD 11.9231
482 1WVG APR 12.3077
483 5XNC MTA 12.3077
484 5EHS 5OY 12.3077
485 5EHS 2JJ 12.3077
486 2OOR NAD 12.6923
487 5ZI2 NAD 12.6923
488 5ZI2 ADP 12.6923
489 3GGO ENO 12.6923
490 3GGO NAI 12.6923
491 2G5C NAD 12.6923
492 2FR1 NDP 13.0769
493 2VT3 ATP 13.0769
494 4RHE FMN 13.0769
495 1J49 NAD 13.4615
496 2ZIF SAM 13.4615
497 2OBF SAH 13.4948
498 2OBF F83 13.4948
499 4HXY NDP 13.6986
500 5DNK SAH 13.8462
501 3WIR BGC 13.8462
502 5W7K SAH 14.2308
503 2JJQ SAH 14.2308
504 3ZIA ADP 14.2857
505 1HDR NAD 14.3443
506 4II2 ATP 15.6627
507 1D7O TCL 15.7692
508 1D7O NAD 15.7692
509 1QG6 NAD 16.5385
510 1QG6 TCL 16.5385
511 5CG1 NAD BBN 16.5385
512 1SOW NAD 16.5385
513 1Z0N BCD 16.6667
514 3O26 NDP 16.9231
515 1FP1 SAH 17.3077
516 5L53 NAP 17.6923
517 2EXX NAP 17.6923
518 4YEF 4CQ 17.9775
519 2BMB PMM 18.0769
520 4D42 W0I 18.4615
521 4D42 NAP 18.4615
522 3T3Z 9PL 19.2308
523 2DKN NAI 19.6078
524 2PZM NAD 20.3846
525 2PZM UDP 20.3846
526 3A06 NDP 20.3846
527 1FK8 NAD 21.0117
528 1Y8Q ATP 21.1538
529 6AR9 3L4 21.1538
530 1EJ0 SAM 21.6667
531 4Q9N NAI 21.9231
532 3WMX NAD 22.3077
533 4J1Q NDP 24.2308
534 1NNU NAD 25
535 1NNU TCT 25
536 3BAZ NAP 25.3846
537 2VUT NAD 25.5814
538 5O98 NAP 26.1538
539 1ORR NAD 26.9231
540 4UP5 94W 27.2727
541 4W6Z 8ID 27.3077
542 2BD0 NAP 27.459
543 2BD0 BIO 27.459
544 1XSE NDP 27.6923
545 3HB5 NAP 28.4615
546 1OAA OAA 28.5714
547 1A27 NAP 28.8462
548 4IXW IXW 29.1339
549 1WMA NDP 29.6154
550 1WMA AB3 29.6154
551 5L4S NAP 29.6154
552 5L4S 6KX 29.6154
553 3U4C NDP 29.6154
554 5Z75 NAD 29.6154
555 5WQP NAP 31.1538
556 5WQP NCA 31.1538
557 3CH6 NAP 32.6923
558 3CH6 311 32.6923
559 5GT9 NAP 32.6923
560 1MXH DHF 32.6923
561 1MXH NAP 32.6923
562 4Y9D NAI 33.4615
563 3ORF NAD 33.4661
564 3RJ5 NAD 33.8462
565 4K26 SFF 33.8462
566 4K26 NDP 33.8462
567 4YAG NAI 35
568 1SNY NAP 35
569 1Z6Z NAP 35
570 4J7U YTZ 35.7692
571 4J7U NAP 35.7692
572 4YAC NAI 35.7692
573 3WXB NDP 36.9231
574 5I7S NAD 36.9231
575 5I7S E9P 36.9231
576 3TN7 NJP 36.965
577 2PD4 NAD 39.2727
578 2PD4 DCN 39.2727
579 3OJF IMJ 40.0778
580 3OJF NDP 40.0778
581 2JAH NDP 40.4858
582 2WYV NAD 40.7692
583 4GQB 0XU 40.9091
584 3OID NDP 41.1538
585 4O0L NDP 41.4545
586 4FC7 NAP 41.9231
587 4FC7 COA 41.9231
588 2JAP NDP 42.1053
589 3GEG NAD 42.1053
590 4ZU3 4SD 42.2907
591 5OVL NAP 42.3077
592 1GZ6 NAI 42.3077
593 3AFN NAP 42.6923
594 4M38 SAH 42.8571
595 3H4V DVP 43.0769
596 3H4V NAP 43.0769
597 1BDB NAD 43.4615
598 2VZ0 D64 43.4615
599 2VZ0 NAP 43.4615
600 5JDI NAP 43.4615
601 5K6A NAP 43.4615
602 4CM9 NAP 43.4615
603 3BMN NAP 43.4615
604 5JCJ NAP 43.4615
605 4CLR NAP 43.4615
606 5JDC NAP 43.4615
607 2WD7 NAP 43.4615
608 4CMI NAP 43.4615
609 3JQ9 NAP 43.4615
610 3JQ7 NAP 43.4615
611 3JQG NAP 43.4615
612 4CM8 NAP 43.4615
613 4CM4 NAP 43.4615
614 3JQA NAP 43.4615
615 3BMO NAP 43.4615
616 3JQF NAP 43.4615
617 3BMQ NAP 43.4615
618 4CLO NAP 43.4615
619 4CME NAP 43.4615
620 3JQB NAP 43.4615
621 3JQ8 NAP 43.4615
622 5JDI 6JO 43.4615
623 5JCJ 6JM 43.4615
624 4CM9 YGL 43.4615
625 4CME KTZ 43.4615
626 3JQ8 DX3 43.4615
627 5JDC 6JP 43.4615
628 3JQB DX6 43.4615
629 5K6A 6QT 43.4615
630 4CM8 IZ9 43.4615
631 3JQ9 AX1 43.4615
632 4CMI M4V 43.4615
633 1ZBQ NAD 43.8462
634 1O5I NAD 44.1767
635 3V1U NAD 44.6154
636 1XG5 NAP 44.6154
637 3OIG NAD 44.6154
638 3ICC NAP 44.7059
639 1JA9 NDP 45
640 1JA9 PYQ 45
641 5FA5 MTA 45
642 1UAY ADN 45.0413
643 3ZV6 NAD 45.3846
644 3ZV6 4HB 45.3846
645 5FEU NAP 45.3846
646 1H5Q NAP 45.3846
647 1W8D NAP 45.3846
648 1W73 NAP 45.3846
649 5G4L NDP 45.7692
650 1W6U NAP 46.1538
651 3RKR NAP 46.1538
652 2ZAT NAP 46.5385
653 4KWI 1TJ 46.5385
654 4KWI NAP 46.5385
655 1ZEM NAD 46.5385
656 4OSP NAP 46.9231
657 3VZS CAA 46.9231
658 3VZS NAP 46.9231
659 5O42 BGC 47.4453
660 5O42 9JW 47.4453
661 5O42 NAD 47.4453
662 3D3W NAP 47.541
663 4ZA2 NAD 47.8261
664 3SJ7 NDP 48.0159
665 4CQM NAP 48.0769
666 1G0N PHH 48.0769
667 1G0N NDP 48.0769
668 2RH4 EMO 48.0769
669 1YXM ADE 48.0769
670 2AE2 NAP 48.4615
671 2AE2 PTO 48.4615
672 1VL8 NAP 48.4615
673 2Q2V NAD 48.6275
674 1UZN NAP 48.9879
675 1U7T TDT 49.2308
676 1EDO NAP 49.2308
677 5GWT NAD 49.2308
678 5GWT SIN 49.2308
679 1U7T NAD 49.2308
680 1XKQ NDP 49.2308
681 5Z2L NDP 49.3878
682 1E3W NAD 49.6154
683 5B4T 3HR 49.6154
684 5B4T NAD 49.6154
685 3O03 NAP 49.6154
686 3AI3 SOL 49.6154
687 2DTX BMA 50
688 5YSS NAD 50
Pocket No.: 2; Query (leader) PDB : 1NFQ; Ligand: NAI; Similar sites found with APoc: 24
This union binding pocket(no: 2) in the query (biounit: 1nfq.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 5N8V KZZ None
2 6ECT SAM 2.30769
3 5L1O 7PF 2.30769
4 5WKC F50 2.30769
5 3H41 ALA DGL 3.07692
6 2CUN 3PG 4.61538
7 3W21 AKG 4.61538
8 1X7D ORN 4.61538
9 4WOE 3S5 5
10 2GAG FOA 5.05051
11 5EW0 3C7 5.12821
12 3AB4 THR 6.15385
13 3FRH SAH 6.15385
14 4YSX MLI 7.30769
15 2EJU SAH 7.30769
16 2Q28 ADP 7.69231
17 4XR8 MAL 9.04523
18 6AC9 ANP 9.23077
19 1O94 ADP 10.3846
20 3C8F MT2 11.0204
21 4HBM 0Y7 12.5
22 5YEE LAB 26.4706
23 2WD7 VGD 43.4615
24 1W6U HXC 46.1538
Pocket No.: 3; Query (leader) PDB : 1NFQ; Ligand: NAI; Similar sites found with APoc: 23
This union binding pocket(no: 3) in the query (biounit: 1nfq.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 1O68 KIV 2.30769
2 5IL1 SAM 2.35849
3 3JWH SAH 2.76498
4 4KIB SAH 3.07692
5 1M3U KPL 3.07692
6 5FA8 SAM 3.10559
7 4EKV BTN 3.14465
8 4JLS 3ZE 3.28947
9 4FBL SPD 3.46154
10 1WNB BTL 3.63636
11 4YUW 4JU 4.61538
12 3GDH SAH 4.97925
13 2YX1 SFG 5.38462
14 1PIG GLC GLC 5.76923
15 5C9P FUC 6.53846
16 4AF5 CIT 6.84211
17 5BSZ SAH 8.8
18 3NJ4 AFX 8.84615
19 3C3Y SAH 9.70464
20 3MCT SAH 10
21 3B6O TMP 10.5263
22 4CM4 4NR 43.4615
23 4OSP 2V4 46.9231
Pocket No.: 4; Query (leader) PDB : 1NFQ; Ligand: NAI; Similar sites found with APoc: 22
This union binding pocket(no: 4) in the query (biounit: 1nfq.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 5J6Y BGC 1.59574
2 5J6Y GLC 1.59574
3 4RPL 3UC 2.30769
4 4RPL FAD 2.30769
5 4B1X LAB 2.30769
6 2JK0 ASP 2.69231
7 5JWC FAD 3.07692
8 3BU1 HSM 3.37838
9 2FZW NAD 3.46154
10 2QRK AMP 4.23077
11 5O5Y GLC 5.76923
12 2CDU FAD 6.15385
13 1E6E FAD 6.25
14 3ENV ABF 6.80851
15 2WEL K88 8
16 2HYV UAP SGN IDS SGN IDS 8.07692
17 2OWZ CIT 8.07692
18 3ANY 2A3 8.07692
19 5VN0 FAD 8.46154
20 4X9M FAD 9.23077
21 1Q3Q ANP 10
22 2JHF NAD 11.1538
APoc FAQ
Feedback