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Receptor
PDB id Resolution Class Description Source Keywords
4TSK 2.5 Å EC: 1.1.1.86 KETOL-ACID REDUCTOISOMERASE FROM ALICYCLOBACILLUS ACIDOCALDA ALICYCLOBACILLUS ACIDOCALDARIUS SUBSP.ACIDOCALDARIUS KETOL-ACID REDUCTOISOMERASE ROSSMANN FOLD NADPH-BINDING OXIDOREDUCTASE ISOMERASE
Ref.: UNCOVERING RARE NADH-PREFERRING KETOL-ACID REDUCTOISOMERASES. METAB. ENG. V. 26C 17 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:401;
A:402;
A:403;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
NDP A:405;
Valid;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
TLA A:404;
Valid;
none;
submit data
150.087 C4 H6 O6 [C@@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4TSK 2.5 Å EC: 1.1.1.86 KETOL-ACID REDUCTOISOMERASE FROM ALICYCLOBACILLUS ACIDOCALDA ALICYCLOBACILLUS ACIDOCALDARIUS SUBSP.ACIDOCALDARIUS KETOL-ACID REDUCTOISOMERASE ROSSMANN FOLD NADPH-BINDING OXIDOREDUCTASE ISOMERASE
Ref.: UNCOVERING RARE NADH-PREFERRING KETOL-ACID REDUCTOISOMERASES. METAB. ENG. V. 26C 17 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4TSK - NDP C21 H30 N7 O17 P3 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 7 families.
1 6AQJ - HIO C5 H9 N O4 CC(C)N(C(=....
2 5W3K Ki = 2.73 uM 9TY C5 H6 O4 C1CC1(C(=O....
3 4TSK - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4XDY - HIO C5 H9 N O4 CC(C)N(C(=....
2 6AQJ - HIO C5 H9 N O4 CC(C)N(C(=....
3 5W3K Ki = 2.73 uM 9TY C5 H6 O4 C1CC1(C(=O....
4 5E4R - 40E C5 H9 N O3 CC(C)NC(=O....
5 4XDZ - 40E C5 H9 N O3 CC(C)NC(=O....
6 4KQX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 4KQW - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 4TSK - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NDP; Similar ligands found: 172
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 1DG 0.68 1
8 DG1 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 80F 0.537879 0.914634
23 2AM 0.529412 0.87013
24 6V0 0.519685 0.974026
25 NAP 0.514493 0.922078
26 7L1 0.507143 0.763441
27 EAD 0.507143 0.949367
28 A2D 0.504673 0.921053
29 TXE 0.503876 0.935897
30 NA0 0.496454 0.910256
31 TXD 0.496124 0.911392
32 SAP 0.495575 0.875
33 AGS 0.495575 0.875
34 P1H 0.493056 0.925926
35 CO7 0.489796 0.791209
36 TAP 0.489362 0.864198
37 PAP 0.482456 0.907895
38 BA3 0.481818 0.921053
39 NAJ PZO 0.478261 0.924051
40 ATP 0.477876 0.921053
41 HEJ 0.477876 0.921053
42 B4P 0.477477 0.921053
43 AP5 0.477477 0.921053
44 ADP 0.477477 0.921053
45 OAD 0.47541 0.897436
46 AR6 0.473684 0.896104
47 AQP 0.473684 0.921053
48 5FA 0.473684 0.921053
49 APR 0.473684 0.896104
50 AN2 0.473214 0.909091
51 3OD 0.467742 0.897436
52 50T 0.464912 0.884615
53 NAJ PYZ 0.464789 0.879518
54 9X8 0.463415 0.851852
55 PO4 PO4 A A A A PO4 0.463415 0.857143
56 V3L 0.461538 0.896104
57 2A5 0.46087 0.85
58 AT4 0.460177 0.886076
59 A1R 0.459016 0.841463
60 4AD 0.459016 0.875
61 ADQ 0.459016 0.897436
62 OVE 0.458716 0.8375
63 OMR 0.458647 0.813953
64 PPS 0.457627 0.811765
65 AD9 0.456897 0.897436
66 CA0 0.45614 0.897436
67 M33 0.45614 0.884615
68 ADJ 0.455882 0.879518
69 A3P 0.455357 0.894737
70 ACP 0.452174 0.897436
71 ENP 0.451613 0.85
72 UP5 0.451128 0.948052
73 SRP 0.45 0.8625
74 ANP 0.449153 0.897436
75 ACQ 0.449153 0.897436
76 PRX 0.448276 0.82716
77 A3R 0.447154 0.841463
78 5AL 0.445378 0.884615
79 7D4 0.443478 0.8375
80 ADX 0.443478 0.811765
81 6YZ 0.438017 0.897436
82 A 0.436364 0.894737
83 AMP 0.436364 0.894737
84 4TC 0.433824 0.924051
85 7D3 0.433628 0.8375
86 DCA 0.433566 0.788889
87 ETB 0.433566 0.797753
88 BIS 0.433071 0.864198
89 1ZZ 0.433071 0.802326
90 00A 0.432 0.864198
91 ATF 0.429752 0.886076
92 DQV 0.428571 0.934211
93 0T1 0.427586 0.788889
94 5SV 0.427419 0.788235
95 8QN 0.427419 0.884615
96 3AM 0.427273 0.857143
97 N01 0.426573 0.884615
98 PR8 0.425197 0.811765
99 LAD 0.425197 0.821429
100 WAQ 0.425197 0.841463
101 DTP 0.425 0.8375
102 AMO 0.424 0.886076
103 PAJ 0.424 0.843373
104 APC 0.423729 0.886076
105 UPA 0.423358 0.935897
106 48N 0.422222 0.853659
107 FYA 0.421875 0.860759
108 PTJ 0.421875 0.853659
109 CNA 0.421429 0.910256
110 PUA 0.42069 0.9125
111 DND 0.419118 0.910256
112 NXX 0.419118 0.910256
113 AV2 0.418033 0.848101
114 COA 0.417808 0.788889
115 3UK 0.417323 0.897436
116 OOB 0.416 0.909091
117 IVC 0.415584 0.78022
118 DAT 0.415254 0.8375
119 NDO 0.414966 0.897436
120 139 0.414286 0.901235
121 B5V 0.414062 0.886076
122 T99 0.413223 0.886076
123 TAT 0.413223 0.886076
124 3AT 0.413223 0.896104
125 YLB 0.413043 0.784091
126 62F 0.4125 0.823529
127 ABM 0.412281 0.848101
128 B5M 0.412214 0.875
129 YAP 0.412214 0.875
130 YLP 0.411765 0.784091
131 NB8 0.410853 0.853659
132 ME8 0.410853 0.802326
133 SON 0.410256 0.886076
134 DLL 0.409449 0.909091
135 AHX 0.409449 0.853659
136 CAO 0.409396 0.763441
137 30N 0.409396 0.72449
138 AMX 0.409396 0.797753
139 COS 0.409396 0.771739
140 7D5 0.409091 0.8125
141 4UW 0.408759 0.9125
142 F2R 0.408451 0.825581
143 APX 0.407692 0.841463
144 SRA 0.40708 0.85
145 CMX 0.406667 0.788889
146 SCO 0.406667 0.788889
147 TYM 0.405797 0.886076
148 COD 0.405594 0.777778
149 CA6 0.405229 0.70297
150 OXK 0.405229 0.771739
151 AP2 0.405172 0.886076
152 A12 0.405172 0.886076
153 9SN 0.40458 0.853659
154 LAQ 0.404412 0.802326
155 T5A 0.404255 0.914634
156 FAM 0.403974 0.771739
157 ACO 0.403974 0.763441
158 FCX 0.403974 0.763441
159 VO4 ADP 0.403226 0.860759
160 ADP VO4 0.403226 0.860759
161 YLC 0.402878 0.823529
162 1VU 0.402597 0.763441
163 B5Y 0.401515 0.875
164 FA5 0.401515 0.886076
165 HAX 0.401316 0.771739
166 AR6 AR6 0.4 0.871795
167 CAJ 0.4 0.771739
168 AFH 0.4 0.843373
169 APU 0.4 0.923077
170 A U 0.4 0.898734
171 TXA 0.4 0.886076
172 4UU 0.4 0.948052
Ligand no: 2; Ligand: TLA; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 TAR 1 1
2 TLA 1 1
3 SRT 1 1
4 RAT 0.588235 1
5 LGT 0.588235 1
6 GAE 0.588235 1
7 LAC 0.5 0.611111
8 2OP 0.5 0.611111
9 IPM 0.47619 0.8
10 LFC 0.434783 0.777778
11 ICT 0.416667 0.727273
12 DXX 0.411765 0.777778
13 MAK 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4TSK; Ligand: NDP; Similar sites found with APoc: 616
This union binding pocket(no: 1) in the query (biounit: 4tsk.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 2B4R NAD 1.15942
2 2B4R AES 1.15942
3 1Q0H FOM 1.23153
4 1Q0H NDP 1.23153
5 1JAY NAP 1.41509
6 1RYD NDP 1.42857
7 1H6C SIN 1.42857
8 1H6C NDP 1.42857
9 4WCX ALA 1.42857
10 5TTJ FAD 1.42857
11 4B63 NAP 1.42857
12 4B63 ORN 1.42857
13 4B63 FAD 1.42857
14 5X68 FAD 1.42857
15 5BRT FAD 1.42857
16 5BRT CH9 1.42857
17 2QZZ EMF 1.57233
18 2QZZ NAP 1.57233
19 5AYV NAP 1.61812
20 5AYV KPL 1.61812
21 6C4M NAP 1.71429
22 6C4N NAP 1.71429
23 2WPF FAD 1.71429
24 2WPF WPF 1.71429
25 5DN9 NAD 1.71429
26 1GZ4 ATP 1.71429
27 5JY6 NAD 1.71429
28 2ZXI FAD 1.71429
29 4EIP FAD 1.71429
30 6F97 FAD 1.71429
31 3CMC NAD 1.79641
32 3HB5 NAP 1.83486
33 2VQ5 HBA 1.99005
34 2CDC XYP 2
35 2CDC XYS 2
36 2CDC NAP 2
37 1FEC FAD 2
38 5FJN FAD 2
39 5FJN BE2 2
40 1C1X NAD 2
41 4J36 FAD 2
42 4J36 1HR 2
43 3NKS FAD 2
44 1BXG NAD 2
45 2BRY FAD 2
46 3NYC FAD 2
47 3NYC IAR 2
48 1BW9 NAD 2
49 5UR0 NAD 2.00573
50 3WGT FAD 2.01729
51 3WGT QSC 2.01729
52 5A1T OXM 2.05279
53 5A1T NAI 2.05279
54 4WZ6 ATP 2.06897
55 5YLF BGC 2.09581
56 1J0X NAD 2.10843
57 3OA2 NAD 2.20126
58 1PJS NAD 2.28571
59 5JWC FAD 2.28571
60 2D2I NAP 2.28571
61 5WGR FAD 2.28571
62 4BJZ P3A 2.28571
63 4BJZ FAD 2.28571
64 1O0S NAI 2.28571
65 5G3U ITW 2.28571
66 5G3U FDA 2.28571
67 5ZBC FAD 2.28571
68 3QVP FAD 2.28571
69 5BJX NAD 2.28571
70 3TWO NDP 2.29885
71 2VT3 ATP 2.32558
72 3B20 NAD 2.35988
73 1DSS NAD 2.4024
74 1HDG NAD 2.40964
75 6GNA FAD 2.43056
76 1RP0 AHZ 2.46479
77 6B74 BEN 2.46914
78 2BKA NDP 2.47934
79 5J60 FAD 2.5
80 2F1K NAP 2.50896
81 1PNF NDG NAG 2.54777
82 2IZ1 ATR 2.57143
83 1ZK7 FAD 2.57143
84 2GSD NAD 2.57143
85 4FWE FAD 2.57143
86 2XVF FAD 2.57143
87 2XVE FAD 2.57143
88 1F8G NAD 2.57143
89 1CER NAD 2.57143
90 4AP3 NAP 2.57143
91 4AP3 FAD 2.57143
92 1QO8 FAD 2.57143
93 3UOY NAP 2.57143
94 3UOY FAD 2.57143
95 4Z0H NAD 2.57143
96 1GET FAD 2.57143
97 1GET NAP 2.57143
98 5O9F 9ON 2.57143
99 5O9F NAD 2.57143
100 1SC6 NAD 2.57143
101 3NEM ATP 2.57143
102 5NA1 FAD 2.57143
103 4TM3 FAD 2.57143
104 2Q0L NAP 2.57235
105 2Q0L FAD 2.57235
106 1G8S MET 2.6087
107 5YU3 NAD 2.61628
108 5YU3 PRO 2.61628
109 5X9D 80F 2.63158
110 1YJQ NAP 2.64026
111 1ZH8 NAP 2.64706
112 2IMG MLT 2.64901
113 1RM4 NDP 2.67062
114 4L8V NAP 2.67062
115 4GKV NAD 2.67857
116 4KOA NDP 2.7027
117 1V6A TRE 2.71084
118 1LUA NAP 2.78746
119 2R4J FAD 2.79441
120 2R4J 13P 2.79441
121 1OMO NAD 2.79503
122 2DKH FAD 2.8169
123 3UCL NAP 2.85714
124 2IXB A2G 2.85714
125 3UCL CYH 2.85714
126 3UCL FAD 2.85714
127 4JDR FAD 2.85714
128 1H82 GZZ 2.85714
129 1H82 FAD 2.85714
130 3CIF NAD 2.85714
131 1D1T NAD 2.85714
132 2IXB NAD 2.85714
133 3CIF G3H 2.85714
134 2GZ3 NAP 2.85714
135 1R37 NAD 2.85714
136 1RM0 NAI 2.85714
137 1DJN ADP 2.85714
138 5YB7 ORN 2.85714
139 5YB7 FAD 2.85714
140 2HIM ASN 2.85714
141 4D7E FAD 2.85714
142 3E1T FAD 2.85714
143 3AXB FAD 2.85714
144 3AXB PRO 2.85714
145 3Q9T FAY 2.85714
146 1RM0 D6P 2.85714
147 3H9E NAD 2.89017
148 1O6Z NAD 2.9703
149 2VYN NAD 3.02115
150 1GAD NAD 3.0303
151 1LDM NAD 3.03951
152 2AG8 NAP 3.04183
153 3H8V ATP 3.08219
154 6A3J NAI 3.14286
155 1MO9 KPC 3.14286
156 2YVF FAD 3.14286
157 2YVF NAD 3.14286
158 3SQP FAD 3.14286
159 2NAD NAD 3.14286
160 1MO9 FAD 3.14286
161 5LD5 NAD 3.14286
162 5U8U FAD 3.14286
163 6A3J SOE 3.14286
164 5MBX SP5 3.14286
165 5MBX FAD 3.14286
166 3C7A NAD 3.14286
167 1GTE FAD 3.14286
168 5GZ6 NDP 3.14286
169 5GZ6 7C3 3.14286
170 4R5M NAP 3.14286
171 4EDF UPG 3.14286
172 1N1G BCP 3.14286
173 1RYI GOA 3.14286
174 4KP7 NAP 3.14286
175 1RYI FAD 3.14286
176 4KP7 1UQ 3.14286
177 5YAP NAI 3.14286
178 3WQQ NDP 3.14286
179 3WQQ IB3 3.14286
180 5YAP 8S0 3.14286
181 1GR0 NAD 3.14286
182 4R5M 4NO 3.14286
183 1J5P NAD 3.16206
184 1O8B ABF 3.19635
185 3WV8 ATP 3.21101
186 1LLU NAD 3.21637
187 3ITJ FAD 3.25444
188 6CEP NAD 3.29341
189 6CEP OXM 3.29341
190 6A0S HSE 3.31325
191 6A0S NDP 3.31325
192 5T9E NAP 3.32103
193 5T9F NAP 3.32103
194 5T9F TYR 3.32103
195 5K0A FAD 3.33333
196 2QA1 FAD 3.4
197 5CIC 51R 3.40136
198 3T31 FAD 3.42857
199 3T31 DCQ 3.42857
200 1E5Q NDP 3.42857
201 3K5I AIR 3.42857
202 1RSG FAD 3.42857
203 3G5S FAD 3.42857
204 3K7M FAD 3.42857
205 4YKG NAD 3.42857
206 4YKG FAD 3.42857
207 1KOL NAD 3.42857
208 4XYB NDP 3.42857
209 4RF7 ARG 3.42857
210 5MZI FYK 3.42857
211 5MZI FAD 3.42857
212 4MOP 2H5 3.42857
213 2B5W NAP 3.42857
214 5MQ6 NDP 3.42857
215 5Y77 FAD 3.42857
216 1NVT NAP 3.48432
217 1YQD NAP 3.55191
218 4XB2 NDP 3.58209
219 4XB2 HSE 3.58209
220 5FI3 NAP 3.64146
221 1YY5 FAD 3.71429
222 2HQM FAD 3.71429
223 1X87 NAD 3.71429
224 2FZW NAD 3.71429
225 1SJD NPG 3.71429
226 1X7D ORN 3.71429
227 1X7D NAD 3.71429
228 3LAD FAD 3.71429
229 4DPL NAP 3.71429
230 2IVD FAD 3.71429
231 1P0F NAP 3.71429
232 3AYI HCI 3.71429
233 3AYI FAD 3.71429
234 2RGH FAD 3.71429
235 1LTH NAD 3.76176
236 1A5Z NAD 3.76176
237 3WLE NAD 3.81232
238 5AOA PPI 3.84615
239 1NVM NAD 3.84615
240 1FL2 FAD 3.87097
241 5OVK NDP 3.90625
242 1EBF NAD 3.91061
243 3B12 FAH 3.94737
244 3ICT ADP 4
245 4YCA NDP 4
246 3ICS ADP 4
247 1HKU NAD 4
248 1U3U NAD 4
249 1U3U BNF 4
250 2Q7V FAD 4
251 5HSA FAS 4
252 2JHF NAD 4
253 3GD4 NAD 4
254 4OOE FOM 4
255 4OOE NDP 4
256 1H2B NAJ 4
257 5UAV NDP 4
258 1PZG A3D 4
259 3L9W AMP 4
260 1LVL NAD 4
261 5I39 FAD 4
262 5UAV TFB 4
263 1YQZ FAD 4
264 2VVM FAD 4
265 4BV6 FAD 4
266 1D4D FAD 4
267 2VVL FAD 4
268 3RC1 NAP 4
269 1SAY PYR 4
270 3RC1 TLO 4
271 3GD4 FAD 4
272 3I6I NDP 4.04624
273 4HNN LYS 4.04624
274 1Y8Q ATP 4.04624
275 5EES NAP 4.04858
276 4JJF FE9 4.06977
277 4JJF N2I 4.06977
278 4CJX NAP 4.07523
279 3VPH OXM 4.19355
280 3VPH NAD 4.19355
281 4ZVV GN0 4.21687
282 4ZVV NAD 4.21687
283 9LDT NAD 4.21687
284 9LDB NAD 4.21687
285 2AHR NAP 4.2471
286 1CF2 NAP 4.28571
287 3CGD FAD 4.28571
288 3CGD COA 4.28571
289 3CGD NAD 4.28571
290 2NVK NAP 4.28571
291 2NVK FAD 4.28571
292 2NPX NAD 4.28571
293 5VN0 NAI 4.28571
294 5J5Z FAD 4.28571
295 1YKJ PHB 4.28571
296 1YKJ FAD 4.28571
297 3S5W NAP 4.28571
298 2VHW NAI 4.28571
299 6FP4 FAD 4.28571
300 6FP4 E1T 4.28571
301 1KEV NDP 4.28571
302 5TUF TDC 4.28571
303 3S5W FAD 4.28571
304 5EZ7 FAD 4.28571
305 2NPX FAD 4.28571
306 5TUF FAD 4.28571
307 1Q1R FAD 4.28571
308 4K5S PM0 4.28571
309 4CNK FAD 4.28571
310 4K5S FAD 4.28571
311 5VN0 FAD 4.28571
312 4CP8 MLI 4.28571
313 4MIG G3F 4.32099
314 3LXD FAD 4.33735
315 5OJL TXP 4.36242
316 1P77 ATR 4.41176
317 3QV1 NAD 4.45104
318 4OM8 NAD 4.53074
319 4EMI NAD 4.57143
320 2RAB NAD 4.57143
321 2RAB FAD 4.57143
322 5KMS NAD 4.57143
323 3GFB NAD 4.57143
324 4M52 M52 4.57143
325 4M52 FAD 4.57143
326 2A8X FAD 4.57143
327 5TS5 FAD 4.57143
328 1YKF NAP 4.57143
329 4YRY FAD 4.57143
330 4YRY NAD 4.57143
331 5KOX RFP 4.57143
332 5KOX FAD 4.57143
333 4EMI FAD 4.57143
334 5ZI2 NAD 4.63768
335 5ZI2 ADP 4.63768
336 1VI2 NAD 4.66667
337 5EOW FAD 4.69136
338 3CTY FAD 4.70219
339 3L4S NAD 4.7619
340 3L4S 3PG 4.7619
341 2EUG URA 4.80349
342 1VQW FAD 4.814
343 3DAG FEG 4.85714
344 3A06 FOM 4.85714
345 3A06 NDP 4.85714
346 1K3T BRZ 4.85714
347 1GQ2 NAP 4.85714
348 1NPD NAD 4.86111
349 4CQM NAP 4.91803
350 2GVC FAD 4.9217
351 2GV8 FAD 4.9217
352 2GV8 NDP 4.9217
353 1T26 NAI 4.96894
354 1T26 GBD 4.96894
355 2A92 NAI 4.98442
356 1M0S CIT 5.02283
357 4ZCC NAI 5.05952
358 4ZCC FAD 5.05952
359 3O9Z AKG 5.12821
360 3O9Z NAD 5.12821
361 6GAS FAD 5.13595
362 1DLJ NAI 5.14286
363 1DLJ UGA 5.14286
364 1XHC FAD 5.14286
365 6GAR FAD 5.14286
366 3FWN ATR 5.14286
367 1KJ8 GAR 5.14286
368 1Q9I TEO 5.14286
369 1Q9I FAD 5.14286
370 3ETG GLU 5.14286
371 3ETG NDP 5.14286
372 3ETG GTP 5.14286
373 3WSG CIT 5.15873
374 4CS9 AMP 5.29101
375 4MP8 NAD 5.30973
376 4MP8 MLI 5.30973
377 5N6C NAD 5.33333
378 3V1Y NAD 5.34125
379 1EZ4 NAD 5.34591
380 5U5G NAP 5.42373
381 1PL6 NAD 5.42857
382 3ABI NAD 5.42857
383 1PN0 FAD 5.42857
384 1PN0 IPH 5.42857
385 2IID PHE 5.42857
386 2IID FAD 5.42857
387 1PL6 572 5.42857
388 4RQU NAD 5.42857
389 2HK9 NAP 5.45455
390 2HK9 ATR 5.45455
391 1KYQ NAD 5.47445
392 3B1F NAD 5.51724
393 1NYT NAP 5.53506
394 5EIN NAP 5.55556
395 6AA8 NAD 5.62914
396 4XZ3 COA 5.65217
397 4XYM COA 5.65217
398 5LQ8 GB 5.67376
399 3KB6 NAD 5.68862
400 2G5C NAD 5.69395
401 2C7G ODP 5.70175
402 2C7G FAD 5.70175
403 3OJO NAD 5.71429
404 1BZL GCG 5.71429
405 1BZL FAD 5.71429
406 5BVA FAD 5.71429
407 5JCM NAD 5.71429
408 5JCM FAD 5.71429
409 5JCM ISD 5.71429
410 1HYH NAD 5.71429
411 3FPZ AHZ 5.71429
412 4JBI NDP 5.71429
413 6F7L FAD 5.71429
414 1YS4 NAP 5.71429
415 3KLJ FAD 5.71429
416 5ODQ FAD 5.71429
417 4D04 NAP 5.71429
418 4D04 FAD 5.71429
419 3AB1 FAD 5.71429
420 4J4H NAI 5.79151
421 4J4H 1J1 5.79151
422 4JK3 NAD 5.79151
423 5H81 NAP 6
424 3HAD NAD 6
425 2Z3Y F2N 6
426 5GSN FAD 6
427 5GSN NAP 6
428 5GSN MMZ 6
429 2I3G NAP 6
430 4Z24 FAD 6
431 5VKT NAP 6.07735
432 1DIG NAP 6.20915
433 2CDU ADP 6.28571
434 2CDU FAD 6.28571
435 3PIJ FRU 6.28571
436 1WPQ NAD 6.30372
437 2DFV NAD 6.34006
438 3Q3C NAD 6.35452
439 3GGO ENO 6.36943
440 3GGO NAI 6.36943
441 5CAE SIN 6.38978
442 5CAE COA 6.38978
443 5Z2F NAP 6.41509
444 2CUL FAD 6.46552
445 3F8D FAD 6.50155
446 2EXX NAP 6.53595
447 1MV8 NAD 6.57143
448 1MUU NAD 6.57143
449 1CDO NAD 6.57143
450 1WP4 NDP 6.57439
451 2CVZ NDP 6.57439
452 4E5N NAD 6.66667
453 5YEC ATP 6.72269
454 2DC1 NAD 6.77966
455 4E13 NAD 6.85714
456 2WET FAD 6.85714
457 5NMX NAP 6.85714
458 2AQJ TRP 6.85714
459 2AQJ FAD 6.85714
460 5NMX FAD 6.85714
461 1C0I BE2 6.85714
462 1C0I FAD 6.85714
463 1UWK NAD 6.85714
464 1UWK URO 6.85714
465 3B8I OXL 6.96864
466 4UP3 NDP 7.00637
467 4UP3 FAD 7.00637
468 5N0J FAD 7.14286
469 4NTC FAD 7.16418
470 5A96 GTP 7.22892
471 2NU8 COA 7.29167
472 6F3N NAD 7.42857
473 6F3N ADN 7.42857
474 2YYY NAP 7.42857
475 5BUK FAD 7.42857
476 1REO FAD 7.42857
477 5ZYN FAD 7.42857
478 1LDN NAD 7.42857
479 6F3M NAD 7.42857
480 5KVS NAP 7.42857
481 2VWT PYR 7.49064
482 5MIT NAP 7.64526
483 5MIT FAD 7.64526
484 4YSX FAD 7.69231
485 2GMH FAD 7.71429
486 4OPC PGT 8
487 4OPC FDA 8
488 4J56 FAD 8
489 5TWB FAD 8.28571
490 6C4T NA7 8.28571
491 2JK0 ASP 8.30769
492 5A04 BGC 8.55457
493 5A04 NDP 8.55457
494 1V8B NAD 8.57143
495 1V59 FAD 8.57143
496 3FG2 FAD 8.57143
497 1V59 NAD 8.57143
498 3RNM FAD 8.62069
499 3NJ4 NAD 8.85714
500 3NJ4 AFX 8.85714
501 5J7X FAD 8.85714
502 5HV7 RBL 9.14286
503 4W6Z 8ID 9.14286
504 5Z21 NAI 9.14286
505 2C29 NAP 9.19881
506 5Z20 NAI 9.27536
507 3BAZ NAP 9.30931
508 4JNA FAD 9.41177
509 2ZJ1 NAD 9.42857
510 2ZJ1 ARJ 9.42857
511 4B4U NAP 9.42857
512 5XVH NAP 9.47712
513 1TDF FAD 9.49367
514 1TDF NAP 9.49367
515 3C1O NAP 9.65732
516 4GUS FAD 9.67742
517 4GUT FAD 9.67742
518 4HSU FAD 9.67742
519 5BSH PRO 9.74729
520 5DCH 1YO 9.89583
521 1J49 NAD 9.90991
522 3LZW NAP 9.93976
523 3LZW FAD 9.93976
524 3WBF API 10
525 3WBF NAP 10
526 1F06 NDP 10
527 1F06 2NP 10
528 3VYW SAM 10.0649
529 5UAO FAD 10.2857
530 2YG3 FAD 10.2857
531 2OOR NAD 10.3448
532 1FWV SGA MAG FUC 10.4478
533 1E1M NAP 10.5714
534 1E1M FAD 10.5714
535 1E6E FAD 10.5714
536 1PS9 NAP 10.5714
537 1PS9 FAD 10.5714
538 2EV9 NAP 10.6464
539 2EV9 SKM 10.6464
540 3QJ4 FAD 10.8187
541 4II2 ATP 10.8434
542 4PLG NAI 10.8571
543 4PLG OXM 10.8571
544 1GUZ NAD 10.9677
545 1GV0 NAD 10.9677
546 2YVJ NAI 11.0092
547 2YVJ FAD 11.0092
548 1LSS NAD 11.4286
549 4XQC NAD 11.4286
550 4XQC 13D 11.4286
551 6ER9 FAD 11.4286
552 6ER9 NAP 11.4286
553 2E5V FAD 11.4286
554 4RDH AMP 11.4583
555 4RDI ATP 11.4583
556 1SOW NAD 11.5854
557 3OND ADN 11.7143
558 3OND NAD 11.7143
559 5TOW NAI 11.7143
560 5TOW ADN 11.7143
561 2HMT NAI 11.8056
562 5Y8L NAD 11.8644
563 5Y8L HUI 11.8644
564 5JE8 NAD 11.9205
565 4D79 ATP 11.9565
566 5X20 NAD 12
567 4YT4 FE9 12
568 6BII NAP 12.012
569 3QFA FAD 12.069
570 2VOH CIT 12.1019
571 4BVA NDP 12.2388
572 4BVA T3 12.2388
573 2DBZ NAP 12.2754
574 5OCM NAP 12.3711
575 1O94 ADP 12.8788
576 1UXG NAD 12.945
577 1UXG FUM 12.945
578 4PLT NAI 12.9909
579 4PLT OXM 12.9909
580 5OC1 FAD 13.1429
581 4D3F NAP 13.2258
582 5JCA FAD 13.3803
583 5JCA NDP 13.3803
584 1E3I CXF 13.4286
585 1GPE FAD 13.4286
586 2O4C NAD 13.6842
587 1WDK NAD 14
588 5M67 NAD 14.2857
589 5M67 3D1 14.2857
590 5M67 ADE 14.2857
591 2PV7 NAD 14.4295
592 2GKS ADP 14.8571
593 2HJR APR 14.939
594 5OOH 9ZZ 15.0485
595 5OOH NAP 15.0485
596 5N2I NAP 15.0862
597 1JNR FAD 15.4286
598 5YRF GLC GLC 15.493
599 1LC3 NAD 15.6463
600 4ZGS NAD 16.2857
601 1Z82 NDP 17.6119
602 2RI1 GLP 17.8723
603 2GAG NAD 18.1818
604 2DT5 NAD 18.4834
605 1I36 NAP 19.697
606 1LJ8 NAD 19.7143
607 1M2W NAD 19.7143
608 3AD8 NAD 20.202
609 3AD8 FAD 20.202
610 3AD8 PYC 20.202
611 5AOV NAP 20.2381
612 2F5Z FAD 23.4375
613 3B1J NAD 24
614 5ZZ6 NAD 25.9615
615 5ZZ6 ADP 25.9615
616 5L95 AMP 27.5
Pocket No.: 2; Query (leader) PDB : 4TSK; Ligand: NDP; 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: 4tsk.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4TSK; Ligand: NDP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4tsk.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4TSK; Ligand: NDP; 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: 4tsk.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4TSK; Ligand: TLA; Similar sites found with APoc: 1
This union binding pocket(no: 5) in the query (biounit: 4tsk.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1W6U HXC 8.27815
Pocket No.: 6; Query (leader) PDB : 4TSK; Ligand: TLA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4tsk.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4TSK; Ligand: TLA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4tsk.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4TSK; Ligand: TLA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4tsk.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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