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Receptor
PDB id Resolution Class Description Source Keywords
5TC4 1.89 Å EC: 1.5.1.153.5.4.9 CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL METHYLENETETRAHYDRO DEHYDROGENASE-CYCLOHYDROLASE (MTHFD2) IN COMPLEX WITH LY345C OFACTORS HOMO SAPIENS INHIBITOR FOLATE COFACTOR DEHYDROGENASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF THE EMERGING CANCER TARGET MTH COMPLEX WITH A SUBSTRATE-BASED INHIBITOR. CANCER RES. V. 77 937 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:403;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
L34 A:402;
Valid;
none;
ic50 = 663 nM
471.423 C20 H21 N7 O7 c1cc(...
NAD A:401;
Valid;
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
5TC4 1.89 Å EC: 1.5.1.153.5.4.9 CRYSTAL STRUCTURE OF HUMAN MITOCHONDRIAL METHYLENETETRAHYDRO DEHYDROGENASE-CYCLOHYDROLASE (MTHFD2) IN COMPLEX WITH LY345C OFACTORS HOMO SAPIENS INHIBITOR FOLATE COFACTOR DEHYDROGENASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF THE EMERGING CANCER TARGET MTH COMPLEX WITH A SUBSTRATE-BASED INHIBITOR. CANCER RES. V. 77 937 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5TC4 ic50 = 663 nM L34 C20 H21 N7 O7 c1cc(ccc1C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5TC4 ic50 = 663 nM L34 C20 H21 N7 O7 c1cc(ccc1C....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1DIA Ki = 455 uM L24 C21 H25 N5 O6 c1cc(ccc1C....
2 1A4I - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
3 1DIG Ki = 431 uM L37 C17 H19 N7 O7 c1cc(ccc1C....
4 3NGL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 4CJX - 9L9 C17 H19 N7 O7 c1cc(ccc1C....
6 4B4W - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 4B4U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 4B4V - L34 C20 H21 N7 O7 c1cc(ccc1C....
9 5TC4 ic50 = 663 nM L34 C20 H21 N7 O7 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: L34; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 L34 1 1
2 THH 0.551402 0.888889
3 L24 0.468468 0.805556
4 MEF 0.432203 0.777778
5 MHF 0.416667 0.777778
6 L37 0.411215 0.814286
Ligand no: 2; 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 : 5TC4; Ligand: NAD; Similar sites found with APoc: 872
This union binding pocket(no: 1) in the query (biounit: 5tc4.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 1WUW TSU None
2 4W6Z 8ID 0.949367
3 6A3J SOE 1.26582
4 6A3J NAI 1.26582
5 2VT3 ATP 1.26582
6 4JJF N2I 1.26582
7 4JJF FE9 1.26582
8 1LVL FAD 1.26582
9 1LVL NAD 1.26582
10 6DNT NAD 1.26582
11 5N2I NAP 1.2931
12 1JQ3 AAT 1.35135
13 2G5C NAD 1.42349
14 5ZZ6 NAD 1.44231
15 5ZZ6 ADP 1.44231
16 1IY8 NAD 1.49813
17 2PZM UDP 1.51515
18 2PZM NAD 1.51515
19 3OJF IMJ 1.55642
20 3OJF NDP 1.55642
21 3OA2 NAD 1.58228
22 3CGD FAD 1.58228
23 3CGD COA 1.58228
24 3CGD NAD 1.58228
25 3CGB FAD 1.58228
26 2FR1 NDP 1.58228
27 1U1I NAD 1.58228
28 1U8X NAD 1.58228
29 6AIN FAD 1.58228
30 2ACV UDP 1.58228
31 1GY8 NAD 1.58228
32 3GD4 FAD 1.58228
33 4BV6 FAD 1.58228
34 1YKF NAP 1.58228
35 3GD4 NAD 1.58228
36 3AYI FAD 1.58228
37 3AYI HCI 1.58228
38 3SSO SAH 1.58228
39 3O9Z NAD 1.60256
40 3O9Z AKG 1.60256
41 4OM8 NAD 1.61812
42 5CG1 NAD BBN 1.63934
43 5OJL TXP 1.67785
44 2CUL FAD 1.72414
45 4Z0H NAD 1.89873
46 5A1T NAI 1.89873
47 1LDM NAD 1.89873
48 5EIN NAP 1.89873
49 1GPE FAD 1.89873
50 5A1T OXM 1.89873
51 1SC6 NAD 1.89873
52 2I3G NAP 1.89873
53 3HB5 NAP 1.89873
54 5JWC FAD 1.89873
55 3LXD FAD 1.89873
56 5EZ7 FAD 1.89873
57 1Z17 ILE 1.89873
58 1ZBQ NAD 1.89873
59 4HA6 FAD 1.89873
60 1GZ6 NAI 1.89873
61 1F8G NAD 1.89873
62 3H5N ATP 1.89873
63 1QG6 NAD 1.91571
64 1QG6 TCL 1.91571
65 1WB4 SXX 2.0202
66 1HDR NAD 2.04918
67 1A27 NAP 2.07612
68 1LSS NAD 2.14286
69 2PZE ATP 2.18341
70 1KYQ NAD 2.18978
71 1P77 ATR 2.20588
72 1GZ4 ATP 2.21519
73 4GKV NAD 2.21519
74 1B8U NAD 2.21519
75 1KOL NAD 2.21519
76 1GR0 NAD 2.21519
77 5YAP 8S0 2.21519
78 1DLJ NAI 2.21519
79 5YAP NAI 2.21519
80 1CF2 NAP 2.21519
81 5H81 NAP 2.21519
82 1LLU NAD 2.21519
83 3KB6 NAD 2.21519
84 1B8U OAA 2.21519
85 1DLJ UGA 2.21519
86 2WET FAD 2.21519
87 4RVU NDP 2.21519
88 3AB1 FAD 2.21519
89 1COY AND 2.21519
90 1COY FAD 2.21519
91 4RPL 3UC 2.21519
92 4RPL FAD 2.21519
93 1X87 NAD 2.21519
94 5JCM FAD 2.21519
95 5JCM ISD 2.21519
96 5JCM NAD 2.21519
97 1ZH8 NAP 2.21519
98 5K4W NAI 2.21519
99 5K4W THR 2.21519
100 4DSG FAD 2.21519
101 4DSG UDP 2.21519
102 1SJD NPG 2.21519
103 3VPH OXM 2.25806
104 3VPH NAD 2.25806
105 1HYH NAD 2.26537
106 5AYV KPL 2.26537
107 5AYV NAP 2.26537
108 3AQA BYH 2.34375
109 2DKN NAI 2.35294
110 3AXB PRO 2.45536
111 3AXB FAD 2.45536
112 2NPX NAD 2.46085
113 2NPX FAD 2.46085
114 1RP0 AHZ 2.46479
115 3WLE NAD 2.53165
116 2ZJ1 NAD 2.53165
117 2ZJ1 ARJ 2.53165
118 3OND ADN 2.53165
119 3OND NAD 2.53165
120 1V8B NAD 2.53165
121 4MDH NAD 2.53165
122 5MDH NAD 2.53165
123 3GFB NAD 2.53165
124 1J49 NAD 2.53165
125 5Y77 FAD 2.53165
126 2J8Z NAP 2.53165
127 5MZI FAD 2.53165
128 5MZI FYK 2.53165
129 5GUD 2IT 2.53165
130 3LAD FAD 2.53165
131 1DJN ADP 2.53165
132 5GUD NDP 2.53165
133 5GUD CIT 2.53165
134 4NTD FAD 2.53165
135 2IXB NAD 2.53165
136 2IXB A2G 2.53165
137 4NTC FAD 2.53165
138 3NTD FAD 2.53165
139 2OOR NAD 2.53165
140 3LZW NAP 2.53165
141 3LZW FAD 2.53165
142 1VJT NAD 2.53165
143 5DF1 NAP 2.53165
144 5DF1 58X 2.53165
145 3X0V FAD 2.53165
146 1R6D NAD 2.53165
147 1I8T FAD 2.53165
148 5TS5 FAD 2.53165
149 3DAG FEG 2.53165
150 1E5Q NDP 2.53165
151 4USQ FAD 2.53165
152 1PJS NAD 2.53165
153 1VKO NAD 2.53165
154 1USI PHE 2.53165
155 4JBI NDP 2.53165
156 1L7E NAI 2.53165
157 5D4V SAH 2.61194
158 1O94 ADP 2.65152
159 2EV9 NAP 2.6616
160 2EV9 SKM 2.6616
161 5GT9 NAP 2.6616
162 1VI2 NAD 2.66667
163 4EMI NAD 2.68293
164 4EMI FAD 2.68293
165 4YCA NDP 2.72109
166 1VL0 NAI 2.73973
167 1NPD NAD 2.77778
168 1F8F NAD 2.8481
169 1RM0 D6P 2.8481
170 1J0X NAD 2.8481
171 1RM0 NAI 2.8481
172 1DSS NAD 2.8481
173 2ZB3 NDP 2.8481
174 4AP3 NAP 2.8481
175 4AP3 FAD 2.8481
176 4MOP 2H5 2.8481
177 1FEC FAD 2.8481
178 5Z75 NAD 2.8481
179 5TUK FAD 2.8481
180 1PN0 IPH 2.8481
181 1PN0 FAD 2.8481
182 4BJZ P3A 2.8481
183 4BJZ FAD 2.8481
184 5MBX FAD 2.8481
185 5MBX SP5 2.8481
186 1RYD NDP 2.8481
187 5FEU NAP 2.8481
188 3S5W FAD 2.8481
189 1TDF FAD 2.8481
190 4C3Y FAD 2.8481
191 5UAV TFB 2.8481
192 1TDF NAP 2.8481
193 1BXK NAD 2.8481
194 6FHO FAD 2.8481
195 4C3Y ANB 2.8481
196 5UAV NDP 2.8481
197 2V6G NAP 2.8481
198 6C4T NA7 2.8481
199 2XVE FAD 2.8481
200 1RJW ETF 2.8481
201 2YY7 NAD 2.88462
202 5O4J SAH 2.91971
203 5O4J 9KH 2.91971
204 5O4J PJL 2.91971
205 1NM5 NAD 2.95567
206 5X9D 80F 2.96053
207 2DC1 NAD 2.9661
208 5YF1 SFG 3.03867
209 5Y8L NAD 3.05085
210 5Y8L HUI 3.05085
211 1X1T NAD 3.07692
212 1FK8 NAD 3.11284
213 3H4V DVP 3.125
214 3H4V NAP 3.125
215 5UR0 NAD 3.15186
216 1EBF NAD 3.16456
217 1HDG NAD 3.16456
218 6A0S HSE 3.16456
219 6A0S NDP 3.16456
220 2IZ1 ATR 3.16456
221 3GGO ENO 3.16456
222 3GGO NAI 3.16456
223 1A5Z NAD 3.16456
224 1PZG A3D 3.16456
225 2YVF NAD 3.16456
226 2YVF FAD 3.16456
227 5GSN NAP 3.16456
228 5GSN FAD 3.16456
229 1J5P NAD 3.16456
230 6F7L FAD 3.16456
231 5GSN MMZ 3.16456
232 4YNU FAD 3.16456
233 2RGJ FAD 3.16456
234 2YG3 FAD 3.16456
235 3NT6 FAD 3.16456
236 3NTA FAD 3.16456
237 4YNU LGC 3.16456
238 1N1G BCP 3.16456
239 4WAS COO 3.16456
240 3WMX NAD 3.16456
241 4WAS NAP 3.16456
242 2QA1 FAD 3.16456
243 4K5S FAD 3.16456
244 4K5S PM0 3.16456
245 4YT4 FE9 3.16456
246 5KMS NAD 3.16456
247 3JYN NDP 3.16456
248 1RM4 NDP 3.16456
249 1N9G NAP 3.16456
250 6BQ6 TER 3.16456
251 4ZDJ UTP 3.16456
252 5CAE SIN 3.19489
253 5CAE COA 3.19489
254 2WQ4 SFU 3.20513
255 2Q0L FAD 3.21543
256 3WBF NAP 3.27869
257 3WBF API 3.27869
258 5O42 NAD 3.28467
259 5O42 9JW 3.28467
260 5O42 BGC 3.28467
261 1W8D NAP 3.31126
262 1W73 NAP 3.31126
263 3H8V ATP 3.42466
264 3O03 NAP 3.43643
265 2AE2 PTO 3.46154
266 2AE2 NAP 3.46154
267 4RQU NAD 3.46667
268 3CMC NAD 3.48101
269 1Q0H FOM 3.48101
270 1Q0H NDP 3.48101
271 5FI3 NAP 3.48101
272 4IDC 1XX 3.48101
273 4IDC NDP 3.48101
274 5XWC 8GL 3.48101
275 5XWC NAP 3.48101
276 5XWC 2IT 3.48101
277 1YS4 NAP 3.48101
278 5MIT NAP 3.48101
279 5MIT FAD 3.48101
280 1TB4 PEJ 3.48101
281 5J60 FAD 3.48101
282 1PGP 6PG 3.48101
283 2C7G FAD 3.48101
284 3IHG FAD 3.48101
285 2C7G ODP 3.48101
286 3L9W AMP 3.48101
287 3OZ2 FAD 3.48101
288 1R37 NAD 3.48101
289 2Z3Y F2N 3.48101
290 1D4D FAD 3.48101
291 5MLR NAP 3.48101
292 5MLR GRQ 3.48101
293 3GDN FAD 3.48101
294 3GDN HBX 3.48101
295 6BWL NAD 3.48101
296 6F97 FAD 3.48101
297 3OID NDP 3.48837
298 5FFF 5XC 3.50195
299 5FFF NAP 3.50195
300 2Y6Q FAD 3.51759
301 2Y6Q I7T 3.51759
302 1KEW NAD 3.60111
303 1KEW TYD 3.60111
304 1O6Z NAD 3.63036
305 6AA8 NAD 3.64238
306 1W6U NAP 3.64238
307 4J1Q NDP 3.66379
308 5N6C NAD 3.66667
309 4OOE FOM 3.71287
310 4OOE NDP 3.71287
311 1GET NAP 3.77778
312 1GET FAD 3.77778
313 4ZVV NAD 3.79747
314 4ZVV GN0 3.79747
315 2CVQ NDP 3.79747
316 1X7D NAD 3.79747
317 1X7D ORN 3.79747
318 4BVA NDP 3.79747
319 2GZ3 NAP 3.79747
320 1HKU NAD 3.79747
321 4XQC 13D 3.79747
322 4XQC NAD 3.79747
323 3ABI NAD 3.79747
324 2O4C NAD 3.79747
325 1YQZ FAD 3.79747
326 1UP7 NAD 3.79747
327 4FWE FAD 3.79747
328 3OJO NAD 3.79747
329 4J36 FAD 3.79747
330 2NVK FAD 3.79747
331 5BJX NAD 3.79747
332 4Y1B NAP 3.79747
333 3UOY FAD 3.79747
334 3UOY NAP 3.79747
335 1PS9 FAD 3.79747
336 4J36 1HR 3.79747
337 5BJX UDP 3.79747
338 1UDB NAD 3.79747
339 1UDB UFG 3.79747
340 4X9M FAD 3.79747
341 5YB7 FAD 3.79747
342 5YB7 ORN 3.79747
343 4BVA T3 3.79747
344 3QFA FAD 3.79747
345 3FG2 FAD 3.79747
346 2Q7V FAD 3.79747
347 2NVK NAP 3.79747
348 1Q9I TEO 3.79747
349 1Q9I FAD 3.79747
350 3VZ3 SSN 3.79747
351 3HDY FAD 3.79747
352 3HDY FDA 3.79747
353 3HDY GDU 3.79747
354 5EB4 FAD 3.79747
355 3VZ3 NAP 3.79747
356 5KOX RFP 3.79747
357 5KOX FAD 3.79747
358 4XFR CIT 3.79747
359 5BWD FUM 3.79747
360 5K0A FAD 3.79747
361 2GLX NDP 3.79747
362 1ZEM NAD 3.81679
363 1OAA OAA 3.861
364 3RJ5 NAD 3.93701
365 1MXH NAP 3.98551
366 1MXH DHF 3.98551
367 2HK9 ATR 4
368 2HK9 NAP 4
369 6GNC FAD 4.08163
370 3AY6 NAI 4.08922
371 3AY6 BGC 4.08922
372 1H2B NAJ 4.11392
373 2B4R NAD 4.11392
374 2B4R AES 4.11392
375 5NUF NAD 4.11392
376 5NUE NAD 4.11392
377 3CIF G3H 4.11392
378 1BZL FAD 4.11392
379 1BZL GCG 4.11392
380 1OC2 TDX 4.11392
381 1OC2 NAD 4.11392
382 3CIF NAD 4.11392
383 4TQG NDP 4.11392
384 2VTD LKM 4.11392
385 4A0S NAP 4.11392
386 5BRT CH9 4.11392
387 5BRT FAD 4.11392
388 1RYI GOA 4.11392
389 1RYI FAD 4.11392
390 4EDF UPG 4.11392
391 1ZGS XMM 4.11392
392 3ITJ FAD 4.11392
393 5OCM NAP 4.12371
394 5Z2F NAP 4.15094
395 5ZRR 9J3 4.15094
396 2BL9 NDP 4.20168
397 5NII FAD 4.20712
398 4WOH 4NP 4.21687
399 4FN4 NAD 4.33071
400 3ORF NAD 4.38247
401 5BVA FAD 4.40098
402 2EWM NAD 4.41767
403 2B5W NAP 4.43038
404 3TWO NDP 4.43038
405 5LD5 NAD 4.43038
406 4B7X NAP 4.43038
407 2GMH FAD 4.43038
408 2AQJ TRP 4.43038
409 2AQJ FAD 4.43038
410 4XZ3 COA 4.43038
411 2IVD FAD 4.43038
412 3ZNN FAD 4.43038
413 3ZNN 4WL 4.43038
414 1ORR NAD 4.43038
415 4JNA FAD 4.43038
416 5YU3 PRO 4.43038
417 5YU3 NAD 4.43038
418 3E1T FAD 4.43038
419 1I2B UPG 4.43038
420 1I2B NAD 4.43038
421 1I2B USQ 4.43038
422 4RF2 NAP 4.43038
423 3QWB NDP 4.43038
424 4UP3 NDP 4.4586
425 4UP3 FAD 4.4586
426 4EA7 JB2 4.54545
427 4EA7 COA 4.54545
428 3WV8 ATP 4.58716
429 4JK3 NAD 4.6332
430 4J4H 1J1 4.6332
431 4J4H NAI 4.6332
432 5TCI MLI 4.71014
433 4O0L NDP 4.72727
434 1CDO NAD 4.74684
435 4XB2 NDP 4.74684
436 5VKT NAP 4.74684
437 1LDN NAD 4.74684
438 3QVP FAD 4.74684
439 3ICS ADP 4.74684
440 4XYM COA 4.74684
441 1KNR FAD 4.74684
442 4XB2 HSE 4.74684
443 3ICR FAD 4.74684
444 3ICS FAD 4.74684
445 3ICT ADP 4.74684
446 1EWK GLU 4.74684
447 3ICT FAD 4.74684
448 3WGT FAD 4.74684
449 3WGT QSC 4.74684
450 4EIP FAD 4.74684
451 3G5S FAD 4.74684
452 4DPL NAP 4.74684
453 4EIP K2C 4.74684
454 5BUK FAD 4.74684
455 1DRV A3D 4.7619
456 6F9Q NAD 4.77941
457 1C3V NDP 4.89796
458 5TTJ FAD 4.89796
459 1ZQ9 SAM 4.91228
460 3D3W NAP 4.91803
461 1PR9 NAP 4.91803
462 5OFW 9TW 4.93274
463 4E13 NAD 4.947
464 3QH2 3NM 4.97738
465 1U7T TDT 4.98084
466 1E3W NAD 4.98084
467 1U7T NAD 4.98084
468 1E6W NAD 5
469 3VZS NAP 5.05837
470 3VZS CAA 5.05837
471 4MP8 MLI 5.06329
472 4MP8 NAD 5.06329
473 1YQD NAP 5.06329
474 5Z20 NAI 5.06329
475 1EZ4 NAD 5.06329
476 3WQQ NDP 5.06329
477 3WQQ IB3 5.06329
478 4KP7 NAP 5.06329
479 1CER NAD 5.06329
480 4KP7 1UQ 5.06329
481 5TUF TDC 5.06329
482 1H82 FAD 5.06329
483 2E5V FAD 5.06329
484 1YKJ PHB 5.06329
485 1YKJ FAD 5.06329
486 1H82 GZZ 5.06329
487 5EOW FAD 5.06329
488 5TUF FAD 5.06329
489 5FJN BE2 5.06329
490 5FJN FAD 5.06329
491 4XAR 40F 5.06329
492 3A4V PYR 5.06329
493 1KY8 NAP 5.06329
494 3A4V NAD 5.06329
495 1HYE NAP 5.11182
496 6C4N NAP 5.12249
497 4MO2 FDA 5.16304
498 4MO2 FAD 5.16304
499 2J0V GDP 5.18868
500 4NBU NAI 5.2
501 5JE8 NAD 5.29801
502 2BD0 NAP 5.32787
503 4ZCC FAD 5.35714
504 4ZCC NAI 5.35714
505 1WDK NAD 5.37975
506 5DN9 NAD 5.37975
507 5KVS 6XR 5.37975
508 5J5Z FAD 5.37975
509 2F5Z FAD 5.37975
510 1MV8 NAD 5.37975
511 5BSH PRO 5.37975
512 4R2I ANP 5.37975
513 1V59 FAD 5.37975
514 3QJ4 FAD 5.37975
515 3NYC IAR 5.37975
516 3NYC FAD 5.37975
517 5KVS NAP 5.37975
518 2RAB NAD 5.37975
519 2RAB FAD 5.37975
520 5G3U ITW 5.37975
521 5G3U FDA 5.37975
522 1V59 NAD 5.37975
523 5TWB FAD 5.37975
524 5UAO FAD 5.37975
525 1H6C NDP 5.37975
526 2ZJ5 ADP 5.37975
527 1XSE NDP 5.42373
528 4D3F NAP 5.48387
529 1ZK4 NAP 5.57769
530 5N53 8NB 5.64103
531 4URF NAD 5.64516
532 2B9W FAD 5.66038
533 1GQ2 NAP 5.6962
534 3NJ4 NAD 5.6962
535 1O0S NAI 5.6962
536 3NJ4 AFX 5.6962
537 2HJR APR 5.6962
538 3T31 FAD 5.6962
539 3T31 DCQ 5.6962
540 2ZB4 5OP 5.6962
541 2ZB4 NAP 5.6962
542 5HXI FAD 5.6962
543 1RSG FAD 5.6962
544 6GAR FAD 5.6962
545 5VN0 FAD 5.6962
546 4B63 NAP 5.6962
547 4B63 ORN 5.6962
548 4B63 FAD 5.6962
549 5VN0 NAI 5.6962
550 3QV9 QV7 5.6962
551 4USR FAD 5.6962
552 1Z45 NAD 5.6962
553 3GMB FAD 5.6962
554 3KLJ FAD 5.6962
555 3FPZ AHZ 5.6962
556 6FP4 E1T 5.6962
557 1SB8 UD2 5.6962
558 6FP4 FAD 5.6962
559 5HXI 5HN 5.6962
560 3SJU NDP 5.73477
561 1Q7B NAP 5.7377
562 5KXE 6Y2 5.76132
563 3CQL NAG 5.76132
564 4YRY FAD 5.7971
565 4YRY NAD 5.7971
566 2NU8 COA 5.90278
567 1U3U BNF 6.01266
568 1U3U NAD 6.01266
569 5O9F 9ON 6.01266
570 5O9F NAD 6.01266
571 1LTH NAD 6.01266
572 5JY6 NAD 6.01266
573 2NAD NAD 6.01266
574 4XYB NDP 6.01266
575 3UCL FAD 6.01266
576 3UCL NAP 6.01266
577 3UCL CYH 6.01266
578 2CDU FAD 6.01266
579 5ZYN FAD 6.01266
580 5I39 FAD 6.01266
581 3CTY FAD 6.01266
582 5NMX NAP 6.01266
583 2DKH FAD 6.01266
584 1NAA ABL 6.01266
585 1NAA 6FA 6.01266
586 2DKH 3HB 6.01266
587 4RSL FAD 6.01266
588 2CDU ADP 6.01266
589 3OIG NAD 6.01504
590 3NUG NAD 6.07287
591 2F1K NAP 6.09319
592 1E3I CXF 6.11702
593 4J7U YTZ 6.25
594 4J7U NAP 6.25
595 5M67 ADE 6.32911
596 5M67 NAD 6.32911
597 5M67 3D1 6.32911
598 6CEP OXM 6.32911
599 6CEP NAD 6.32911
600 3H9E NAD 6.32911
601 2QRK AMP 6.32911
602 4TXI FAD 6.32911
603 2BRY FAD 6.32911
604 2WPF FAD 6.32911
605 5GZ6 NDP 6.32911
606 5GZ6 7C3 6.32911
607 2WPF WPF 6.32911
608 1QO8 FAD 6.32911
609 1YY5 FAD 6.32911
610 3GF4 FAD 6.32911
611 3GF4 UPG 6.32911
612 1LJ8 NAD 6.32911
613 4L77 CNL 6.32911
614 1M2W NAD 6.32911
615 3TN7 NJP 6.32911
616 3HVJ 705 6.33484
617 2JAP NDP 6.47773
618 6F3M NAD 6.52174
619 3AFN NAP 6.58915
620 1AE1 NAP 6.59341
621 1PL6 NAD 6.64557
622 1PL6 572 6.64557
623 1P0F NAP 6.64557
624 1OMO NAD 6.64557
625 3B1J NAD 6.64557
626 2YYY NAP 6.64557
627 3B20 NAD 6.64557
628 2Q1S NAI 6.64557
629 2D2I NAP 6.64557
630 3SQP FAD 6.64557
631 1EQ2 NAP 6.64557
632 2X6T NAP 6.64557
633 6GAS FAD 6.64557
634 2GV8 NDP 6.64557
635 2GVC FAD 6.64557
636 1VQW FAD 6.64557
637 2GV8 FAD 6.64557
638 1VL8 NAP 6.74157
639 1XCL SAH 6.80851
640 3HAD NAD 6.81818
641 4DDY DN6 6.84411
642 5Z2L NDP 6.93878
643 4RDH AMP 6.94444
644 4RDI ATP 6.94444
645 1YB5 NAP 6.96203
646 1GAD NAD 6.96203
647 2VYN NAD 6.96203
648 2DM6 NAP 6.96203
649 2GSD NAD 6.96203
650 2DM6 IMN 6.96203
651 1Q1R FAD 6.96203
652 4G5H UD7 6.96203
653 4G5H NAP 6.96203
654 2RH4 EMO 6.96203
655 4TM3 FAD 6.96203
656 2GJP GLC 6.96203
657 1BXG NAD 7.02247
658 1BW9 NAD 7.02247
659 1C1X NAD 7.04225
660 1H5Q NAP 7.16981
661 2DTX BMA 7.19697
662 2PD4 DCN 7.27273
663 2JHF NAD 7.27848
664 3ETG GTP 7.27848
665 3ETG GLU 7.27848
666 5Z21 NAI 7.27848
667 5U8U FAD 7.27848
668 4D04 FAD 7.27848
669 4D04 NAP 7.27848
670 2IID PHE 7.27848
671 2IID FAD 7.27848
672 3ETG NDP 7.27848
673 5EES NAP 7.28745
674 3QV1 NAD 7.31707
675 2YVJ NAI 7.33945
676 2YVJ FAD 7.33945
677 2PV7 NAD 7.38255
678 5U5G NAP 7.45763
679 5U5N NAD 7.52688
680 1V6A TRE 7.59494
681 5ODQ FAD 7.59494
682 5OC1 FAD 7.59494
683 5A04 NDP 7.59494
684 5A04 BGC 7.59494
685 1GTE FAD 7.59494
686 1MO9 KPC 7.59494
687 1MO9 FAD 7.59494
688 4D79 ATP 7.6087
689 4YAG NAI 7.61246
690 2GAG NAD 7.61905
691 2GAG FOA 7.61905
692 2GAG FAD 7.61905
693 4CQM NAP 7.66284
694 1LUA NAP 7.66551
695 1GV0 NAD 7.74194
696 1GUZ NAD 7.74194
697 1FHX 4IP 7.75194
698 4PLG OXM 7.78443
699 4PLG NAI 7.78443
700 4D42 W0I 7.80142
701 4D42 NAP 7.80142
702 3NHB ADP 7.84314
703 1UWK NAD 7.91139
704 1UWK URO 7.91139
705 5X68 FAD 7.91139
706 3K7M FAD 7.91139
707 5JCA FAD 7.91139
708 5JCA NDP 7.91139
709 4FC7 NAP 7.94224
710 4FC7 COA 7.94224
711 1I36 NAP 7.95455
712 3NOJ PYR 7.98319
713 9LDB NAD 8.22785
714 1D1T NAD 8.22785
715 1SOW NAD 8.22785
716 5AOV NAP 8.22785
717 9LDT NAD 8.22785
718 4Z24 FAD 8.22785
719 2GN4 NDP 8.22785
720 2GN4 UD1 8.22785
721 1REO FAD 8.22785
722 1E1M NAP 8.22785
723 1E1M FAD 8.22785
724 4U8P FDA 8.22785
725 6EL3 NAP 8.22785
726 4U8P UDP 8.22785
727 1E6E FAD 8.22785
728 2ZXI FAD 8.22785
729 4YKG FAD 8.22785
730 4YKG NAD 8.22785
731 1FL2 FAD 8.22785
732 5XWV NDP 8.22785
733 5XWV 8H6 8.22785
734 3FWN ATR 8.22785
735 4OHU 2TK 8.3045
736 4OHU NAD 8.3045
737 4COQ SAN 8.50202
738 3A06 FOM 8.5443
739 3A06 NDP 8.5443
740 4PLT NAI 8.5443
741 4PLT OXM 8.5443
742 4R5M 4NO 8.5443
743 4ZGS NAD 8.5443
744 4R5M NAP 8.5443
745 1EK6 UPG 8.5443
746 1EK6 NAI 8.5443
747 5GWT SIN 8.63309
748 5GWT NAD 8.63309
749 1LNX URI 8.64198
750 3BAZ NAP 8.86076
751 2RGO FAD 8.86076
752 3AD8 NAD 8.86699
753 3AD8 FAD 8.86699
754 3AD8 PYC 8.86699
755 2P39 SCR 9.03226
756 2WSB NAD 9.05512
757 2CDC XYP 9.17722
758 2CDC XYS 9.17722
759 1KEV NDP 9.17722
760 2CDC NAP 9.17722
761 1MUU NAD 9.17722
762 2VHW NAI 9.49367
763 6F3N NAD 9.49367
764 6F3N ADN 9.49367
765 4MIG G3F 9.49367
766 4J56 FAD 9.64912
767 4L8V NAP 9.81013
768 4HXY NDP 9.81013
769 4E5N NAD 9.81013
770 6BII NAP 9.81013
771 4CNK FAD 9.81013
772 4KOA NDP 9.81013
773 2AG8 NAP 9.88593
774 2A92 NAI 9.96885
775 1UXG FUM 10.0324
776 1UXG NAD 10.0324
777 1C0I BE2 10.1266
778 1C0I FAD 10.1266
779 3NKS FAD 10.1266
780 2AHR NAP 10.1266
781 2R4J FAD 10.1266
782 2R4J 13P 10.1266
783 4EMJ FAD 10.2804
784 4H0I MMA 10.3586
785 1X14 NAD 10.443
786 1NVM NAD 10.5769
787 4OSP NAP 10.6464
788 3B1F NAD 10.6897
789 6ER9 FAD 10.7595
790 6ER9 NAP 10.7595
791 3V1Y NAD 10.7595
792 6GNA FAD 10.7595
793 3L4S NAD 11.0119
794 3L4S 3PG 11.0119
795 2DFV NAD 11.0759
796 1T26 NAI 11.0759
797 1T26 GBD 11.0759
798 2DBZ NAP 11.0778
799 2HMT NAI 11.1111
800 1NVT NAP 11.3924
801 4YSX FAD 11.7021
802 4OPC FDA 11.7089
803 4OPC PGT 11.7089
804 2GCG NDP 11.7089
805 1F06 NDP 11.7089
806 1F06 2NP 11.7089
807 1VM6 NAD 11.8421
808 1OBB NAD 12.0253
809 4IV9 FAD 12.0253
810 2DT5 NAD 12.3223
811 1G0N PHH 12.3675
812 1G0N NDP 12.3675
813 1XHC FAD 12.6582
814 1WP4 NDP 12.6582
815 5ZI2 NAD 12.9747
816 1K3T BRZ 12.9747
817 5ZI2 ADP 12.9747
818 1JNR FAD 13.3333
819 2A8X FAD 13.6076
820 4M52 M52 13.6076
821 4M52 FAD 13.6076
822 5KKA 6V0 13.7821
823 1YJQ NAP 13.8614
824 6CI9 NAP 13.8996
825 3IP6 PRO 13.9241
826 1EDO NAP 13.9344
827 1GEG NAD 14.0625
828 3ICC NAP 14.1176
829 3SJ7 NDP 14.2857
830 1SAY PYR 14.557
831 2VVM FAD 14.557
832 2VVL FAD 14.557
833 1UAY ADN 14.876
834 1ZK7 FAD 15.1899
835 5THQ NDP 15.1899
836 3RNM FAD 15.5172
837 5J7X FAD 16.1392
838 1NYT NAP 16.2362
839 4KWI NAP 16.3498
840 4KWI 1TJ 16.3498
841 5TOW ADN 17.0886
842 5TOW NAI 17.0886
843 2FZW NAD 18.038
844 1GEE NAD 19.5402
845 4JDR FAD 19.9367
846 4GUS FAD 23.3871
847 4GUT FAD 23.3871
848 4HSU FAD 23.3871
849 4CM9 NAP 28.4722
850 3BMN NAP 28.4722
851 5K6A NAP 28.4722
852 4CMI NAP 28.4722
853 4CLO NAP 28.4722
854 4CLR NAP 28.4722
855 3JQ7 NAP 28.4722
856 4CME NAP 28.4722
857 4CM8 NAP 28.4722
858 5JCJ NAP 28.4722
859 3JQF NAP 28.4722
860 3BMO NAP 28.4722
861 3JQ8 NAP 28.4722
862 5JDI NAP 28.4722
863 3BMQ NAP 28.4722
864 5JDC NAP 28.4722
865 3JQA NAP 28.4722
866 3JQG NAP 28.4722
867 3JQB NAP 28.4722
868 4CM4 NAP 28.4722
869 3JQ9 NAP 28.4722
870 2VZ0 NAP 30.597
871 2VZ0 D64 30.597
872 2WD7 NAP 30.597
Pocket No.: 2; Query (leader) PDB : 5TC4; 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: 5tc4.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5TC4; Ligand: L34; Similar sites found with APoc: 25
This union binding pocket(no: 3) in the query (biounit: 5tc4.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5M37 9SZ 0.869565
2 5EXA 5SO 0.869565
3 2WHL MAN BMA BMA 1.70068
4 1O9U ADZ 2.21519
5 1XX4 BAM 2.29885
6 3BP1 GUN 2.75862
7 3B6R CRN 2.8481
8 1VRP IOM 2.8481
9 1QSR ACO 3.08642
10 4NZ6 DLY 3.19489
11 2Z49 AMG 3.48101
12 2Z48 NGA 3.48101
13 5LLT DND 3.75587
14 3WUR O4B 4.67836
15 3UG4 AHR 4.74684
16 5G3U ITW 5.37975
17 2HJR CIT 5.6962
18 3BL7 DD1 5.6962
19 3AI3 SOL 5.70342
20 1U1J MET 6.64557
21 2QX0 PH2 6.91824
22 2FNU PMP UD1 7.27848
23 5OC1 FAD 7.59494
24 6MFL OPV 9.74026
25 6MJ7 ARG 14.5455
Pocket No.: 4; Query (leader) PDB : 5TC4; Ligand: L34; 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: 5tc4.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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