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Receptor
PDB id Resolution Class Description Source Keywords
4XDZ 1.15 Å EC: 1.1.1.86 HOLO STRUCTURE OF KETOL-ACID REDUCTOISOMERASE FROM IGNISPHAE AGGREGANS IGNISPHAERA AGGREGANS ROSSMANN FOLD OXIDOREDUCTASE
Ref.: COFACTOR SPECIFICITY MOTIFS AND THE INDUCED FIT MEC CLASS I KETOL-ACID REDUCTOISOMERASES. BIOCHEM.J. V. 468 475 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EPE A:405;
B:405;
Invalid;
Invalid;
none;
none;
submit data
238.305 C8 H18 N2 O4 S C1CN(...
40E B:404;
A:404;
Valid;
Valid;
none;
none;
submit data
131.13 C5 H9 N O3 CC(C)...
GOL A:406;
B:406;
B:407;
A:407;
A:408;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NDP A:401;
B:401;
Valid;
Valid;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
MG A:402;
B:402;
B:403;
A:403;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XDZ 1.15 Å EC: 1.1.1.86 HOLO STRUCTURE OF KETOL-ACID REDUCTOISOMERASE FROM IGNISPHAE AGGREGANS IGNISPHAERA AGGREGANS ROSSMANN FOLD OXIDOREDUCTASE
Ref.: COFACTOR SPECIFICITY MOTIFS AND THE INDUCED FIT MEC CLASS I KETOL-ACID REDUCTOISOMERASES. BIOCHEM.J. V. 468 475 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4XDZ - 40E C5 H9 N O3 CC(C)NC(=O....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4XDZ - 40E C5 H9 N O3 CC(C)NC(=O....
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: 40E; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 40E 1 1
2 NXA 0.4 0.642857
Ligand no: 2; 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XDZ; Ligand: NDP; Similar sites found with APoc: 710
This union binding pocket(no: 1) in the query (biounit: 4xdz.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 5DQY BEZ None
2 2B4R NAD 1.16618
3 2B4R AES 1.16618
4 5BRT FAD 1.45773
5 5BRT CH9 1.45773
6 5YU3 NAD 1.45773
7 5YU3 PRO 1.45773
8 1O0S NAI 1.45773
9 4MO2 FAD 1.45773
10 4MO2 FDA 1.45773
11 3V1Y NAD 1.48368
12 3CMC NAD 1.49701
13 3T31 DCQ 1.74927
14 3T31 FAD 1.74927
15 5MBX SP5 1.74927
16 5MBX FAD 1.74927
17 1C1X NAD 1.74927
18 3FG2 FAD 1.74927
19 1YS4 NAP 1.74927
20 3CIF NAD 1.74927
21 3NYC IAR 1.74927
22 3NYC FAD 1.74927
23 2DKH FAD 1.74927
24 1BW9 NAD 1.74927
25 3CIF G3H 1.74927
26 1BXG NAD 1.74927
27 2DKH 3HB 1.74927
28 4ZVV GN0 1.80723
29 4ZVV NAD 1.80723
30 3HB5 NAP 1.83486
31 5W6Y TRP 1.89873
32 4J4H NAI 1.9305
33 4J4H 1J1 1.9305
34 4JK3 NAD 1.9305
35 5XVH NAP 1.96078
36 4GNC ASO 2.00669
37 3I6I NDP 2.04082
38 4XQC NAD 2.04082
39 4XQC 13D 2.04082
40 6A3J NAI 2.04082
41 3CGD COA 2.04082
42 3CGD NAD 2.04082
43 3CGD FAD 2.04082
44 5JCM NAD 2.04082
45 5JCM FAD 2.04082
46 5JCM ISD 2.04082
47 3UCL NAP 2.04082
48 3K5I AIR 2.04082
49 1EBF NAD 2.04082
50 3G5S FAD 2.04082
51 3UCL CYH 2.04082
52 3UCL FAD 2.04082
53 1K3T BRZ 2.04082
54 6A3J SOE 2.04082
55 1R37 NAD 2.04082
56 4OPC PGT 2.04082
57 4OPC FDA 2.04082
58 2DFV NAD 2.04082
59 4BJZ FAD 2.04082
60 4BJZ P3A 2.04082
61 5BJX NAD 2.04082
62 5BJX UDP 2.04082
63 1VKO NAD 2.04082
64 2HIM ASN 2.04082
65 4KOA NDP 2.1021
66 2GLX NDP 2.10843
67 5J60 FAD 2.1875
68 3CTY FAD 2.19436
69 2AHR NAP 2.3166
70 3NJ4 NAD 2.33236
71 3NJ4 AFX 2.33236
72 2HQM FAD 2.33236
73 5UR0 NAD 2.33236
74 5LD5 NAD 2.33236
75 1REO FAD 2.33236
76 4EMI NAD 2.33236
77 2D2I NAP 2.33236
78 3S5W NAP 2.33236
79 3GD4 NAD 2.33236
80 3GD4 FAD 2.33236
81 3S5W FAD 2.33236
82 4EMI FAD 2.33236
83 3E1T FAD 2.33236
84 2GMH FAD 2.33236
85 3IHG FAD 2.33236
86 1I8T FAD 2.33236
87 3GMB FAD 2.33236
88 1N7G GDR 2.33236
89 5XWV 8H6 2.33236
90 1N7G NDP 2.33236
91 5XWV NDP 2.33236
92 4PIV NDP 2.33236
93 3AXB FAD 2.33236
94 3AXB PRO 2.33236
95 5HXI FAD 2.33236
96 5HXI 5HN 2.33236
97 3WLE NAD 2.34604
98 3B20 NAD 2.35988
99 3B1J NAD 2.35988
100 5A96 GTP 2.40964
101 4CJX NAP 2.50784
102 4UYE 9F9 2.54237
103 3HAD NAD 2.5974
104 6C4M NAP 2.62391
105 1MO9 FAD 2.62391
106 1MO9 KPC 2.62391
107 4YKG FAD 2.62391
108 4YKG NAD 2.62391
109 4W6Z 8ID 2.62391
110 1U3U NAD 2.62391
111 1U3U BNF 2.62391
112 4B63 ORN 2.62391
113 4B63 NAP 2.62391
114 4B63 FAD 2.62391
115 5Z21 NAI 2.62391
116 1X7D ORN 2.62391
117 1X7D NAD 2.62391
118 6FHO FAD 2.62391
119 3HDY FAD 2.62391
120 1SC6 NAD 2.62391
121 3HDY FDA 2.62391
122 3HDY GDU 2.62391
123 4NTC FAD 2.68657
124 2IXB A2G 2.7027
125 2IXB NAD 2.7027
126 1PZG A3D 2.71903
127 4E5N NAD 2.72727
128 2HJR APR 2.7439
129 5VKT NAP 2.76243
130 3F8D FAD 2.78638
131 1LUA NAP 2.78746
132 1OMO NAD 2.79503
133 5G4L NDP 2.7972
134 1RP0 AHZ 2.8169
135 5EES NAP 2.83401
136 2WPF FAD 2.91545
137 2WPF WPF 2.91545
138 5JWC FAD 2.91545
139 2O4C NAD 2.91545
140 5UAO FAD 2.91545
141 5TS5 FAD 2.91545
142 5KOX RFP 2.91545
143 5KOX FAD 2.91545
144 4XYB NDP 2.91545
145 3UOY NAP 2.91545
146 3UOY FAD 2.91545
147 4TM3 FAD 2.91545
148 5Z20 NAI 2.91545
149 1GQ2 NAP 2.91545
150 3TWO NDP 2.91545
151 4USQ FAD 2.91545
152 3GDN FAD 2.91545
153 3GDN HBX 2.91545
154 4C3Y FAD 2.91545
155 5EZ7 FAD 2.91545
156 4C3Y ANB 2.91545
157 5U5N NAD 2.91545
158 5T9E NAP 2.95203
159 5T9F NAP 2.95203
160 5T9F TYR 2.95203
161 1R6D NAD 2.96736
162 1R6D DAU 2.96736
163 1Z82 NDP 2.98507
164 4BVA NDP 2.98507
165 4BVA T3 2.98507
166 1V6A TRE 3.01205
167 2PV7 NAD 3.02013
168 5CIC 51R 3.06122
169 5U61 7WG 3.11419
170 3SQP FAD 3.207
171 2NVK FAD 3.207
172 1YY5 FAD 3.207
173 1RYD NDP 3.207
174 1H6C SIN 3.207
175 1BZL GCG 3.207
176 1BZL FAD 3.207
177 1H6C NDP 3.207
178 1RSG FAD 3.207
179 1GET FAD 3.207
180 1GET NAP 3.207
181 3K7M FAD 3.207
182 5OC1 FAD 3.207
183 2YVF FAD 3.207
184 2YVF NAD 3.207
185 5NA1 FAD 3.207
186 2YVJ NAI 3.207
187 1C0I FAD 3.207
188 1C0I BE2 3.207
189 2NVK NAP 3.207
190 5IN4 GDP 3.207
191 5IN4 NAP 3.207
192 5IN4 6CK 3.207
193 3WGT FAD 3.207
194 3WGT QSC 3.207
195 2RGJ FAD 3.207
196 1RPN NDP 3.207
197 2YVJ FAD 3.207
198 2E5V FAD 3.207
199 1F8G NAD 3.207
200 6AIN FAD 3.207
201 5WJ6 B4A 3.207
202 5F5N NAD 3.207
203 1LLU NAD 3.21637
204 4JNA FAD 3.23529
205 5AYV KPL 3.23625
206 5AYV NAP 3.23625
207 5A04 NDP 3.24484
208 5A04 BGC 3.24484
209 3ITJ CIT 3.25444
210 3ITJ FAD 3.25444
211 6B2W AG2 3.3033
212 9LDB NAD 3.31325
213 9LDT NAD 3.31325
214 4DPL NAP 3.34262
215 5MIT NAP 3.36391
216 5MIT FAD 3.36391
217 5OOH 9ZZ 3.39806
218 5OOH NAP 3.39806
219 1QG6 TCL 3.44828
220 1QG6 NAD 3.44828
221 1WP4 NDP 3.46021
222 1E3I CXF 3.49854
223 1YQZ FAD 3.49854
224 3GFB NAD 3.49854
225 2B5W NAP 3.49854
226 3LAD FAD 3.49854
227 1VQW FAD 3.49854
228 4BV6 FAD 3.49854
229 2GVC FAD 3.49854
230 2GV8 FAD 3.49854
231 4RSL FAD 3.49854
232 4TR9 ASP TRP ASN 3.49854
233 1LVL FAD 3.49854
234 3X0V FAD 3.49854
235 2FR1 NDP 3.49854
236 3QJ4 FAD 3.50877
237 1NVM NAD 3.52564
238 4E13 NAD 3.53357
239 4D42 W0I 3.5461
240 4D42 NAP 3.5461
241 3VPH OXM 3.54839
242 3VPH NAD 3.54839
243 4Z0H NAD 3.59281
244 3FXU TSU 3.60656
245 6GAS FAD 3.62538
246 3WV8 ATP 3.66972
247 3FPZ AHZ 3.68098
248 1Q0H FOM 3.69458
249 1Q0H NDP 3.69458
250 5V4R MGT 3.7037
251 5FJN FAD 3.72807
252 5FJN BE2 3.72807
253 6GNC FAD 3.7415
254 1H5R THM 3.75427
255 2QZZ EMF 3.79009
256 2QZZ NAP 3.79009
257 5BVA FAD 3.79009
258 2IID FAD 3.79009
259 2IID PHE 3.79009
260 1GR0 NAD 3.79009
261 1PN0 FAD 3.79009
262 1PN0 IPH 3.79009
263 5MZI FAD 3.79009
264 5MZI FYK 3.79009
265 4MIG G3F 3.79009
266 4RPL 3UC 3.79009
267 4RPL FAD 3.79009
268 1KJ8 GAR 3.79009
269 3NEM ATP 3.79009
270 1N5D NDP 3.81944
271 3O9Z AKG 3.84615
272 3O9Z NAD 3.84615
273 1FL2 FAD 3.87097
274 1GV0 NAD 3.87097
275 4PLG OXM 3.89222
276 4PLG NAI 3.89222
277 4B5W PYR 3.90625
278 3LZW FAD 3.91566
279 3LZW NAP 3.91566
280 1W6F ISZ 3.95683
281 1YJQ NAP 3.9604
282 5UAV TFB 4.03727
283 5UAV NDP 4.03727
284 1NYT NAP 4.05904
285 1F06 2NP 4.0625
286 1F06 NDP 4.0625
287 1FEC FAD 4.08163
288 3OJO NAD 4.08163
289 5O9F 9ON 4.08163
290 5O9F NAD 4.08163
291 2NPX NAD 4.08163
292 3QVP FAD 4.08163
293 5ZYN FAD 4.08163
294 5EOW FAD 4.08163
295 5WGR FAD 4.08163
296 5ZBC FAD 4.08163
297 6GAR FAD 4.08163
298 2NPX FAD 4.08163
299 4TXI FAD 4.08163
300 2RG0 CBI 4.08163
301 3LXD FAD 4.09639
302 1GUZ NAD 4.19355
303 2JK0 ASP 4.30769
304 5ZZ6 NAD 4.32692
305 5ZZ6 ADP 4.32692
306 4A91 GLU 4.36242
307 3ICT ADP 4.37318
308 3ICS ADP 4.37318
309 5EIN NAP 4.37318
310 1H82 GZZ 4.37318
311 1H82 FAD 4.37318
312 5G3U FDA 4.37318
313 4M52 M52 4.37318
314 6C4T NA7 4.37318
315 4M52 FAD 4.37318
316 2A8X FAD 4.37318
317 1PS9 FAD 4.37318
318 5G3U ITW 4.37318
319 1GZ4 ATP 4.37318
320 4JBI NDP 4.37318
321 6F7L FAD 4.37318
322 6F97 FAD 4.37318
323 3ICT FAD 4.37318
324 1Y8Q ATP 4.37318
325 1YKF NAP 4.37318
326 3ICR FAD 4.37318
327 3ICS FAD 4.37318
328 1Q9I TEO 4.37828
329 1Q9I FAD 4.37828
330 4YCA NDP 4.42177
331 1TDF NAP 4.43038
332 1TDF FAD 4.43038
333 5Y77 FAD 4.43975
334 3BAZ NAP 4.5045
335 2NU8 COA 4.51389
336 5K0A FAD 4.54545
337 1SOW NAD 4.57317
338 3JUC PCA 4.57516
339 4ZGS NAD 4.66472
340 1E5Q NDP 4.66472
341 3AYI FAD 4.66472
342 3AYI HCI 4.66472
343 4KP7 1UQ 4.66472
344 4KP7 NAP 4.66472
345 6ER9 FAD 4.66472
346 4YNU FAD 4.66472
347 3WQQ NDP 4.66472
348 3WQQ IB3 4.66472
349 1M2W NAD 4.66472
350 3CGB FAD 4.66472
351 3RC1 NAP 4.66472
352 4AP3 NAP 4.66472
353 4AP3 FAD 4.66472
354 5NMX NAP 4.66472
355 3RC1 TLO 4.66472
356 1X87 NAD 4.66472
357 4YNU LGC 4.66472
358 1LJ8 NAD 4.66472
359 5TUK FAD 4.66472
360 4D04 FAD 4.66472
361 4D04 NAP 4.66472
362 6ER9 NAP 4.66472
363 5NMX FAD 4.66472
364 1GTE FAD 4.66472
365 3C7A NAD 4.66472
366 5GUD NDP 4.66472
367 4L8V NAP 4.74777
368 1KOL NAD 4.77387
369 3OZ2 FAD 4.78589
370 6CEP NAD 4.79042
371 6CEP OXM 4.79042
372 5CAE SIN 4.79233
373 5CAE COA 4.79233
374 3H8V ATP 4.79452
375 1HDG NAD 4.81928
376 2QRK AMP 4.82234
377 4OM8 NAD 4.85437
378 1UXG FUM 4.85437
379 1UXG NAD 4.85437
380 4RDH AMP 4.86111
381 4RDI ATP 4.86111
382 1D4D FAD 4.8951
383 2RGH FAD 4.90368
384 4OOE FOM 4.9505
385 4OOE NDP 4.9505
386 2IZ1 ATR 4.95627
387 1MUU NAD 4.95627
388 2WET FAD 4.95627
389 2AQJ FAD 4.95627
390 2AQJ TRP 4.95627
391 5BUK FAD 4.95627
392 3NKS FAD 4.95627
393 4K5S PM0 4.95627
394 4K5S FAD 4.95627
395 1AJ8 CIT 4.95627
396 3GF4 UPG 4.95627
397 3GF4 FAD 4.95627
398 4CNK FAD 4.95627
399 1E1M FAD 4.95627
400 1E1M NAP 4.95627
401 1LSS NAD 5
402 5L95 AMP 5.01792
403 1RM4 NDP 5.04451
404 1WB4 SXX 5.05051
405 3KB6 NAD 5.08982
406 3GGO ENO 5.09554
407 3GGO NAI 5.09554
408 1VDC FAD 5.1051
409 1GAD NAD 5.15152
410 3C1O NAP 5.24781
411 6C4N NAP 5.24781
412 5HSA FAS 5.24781
413 1WPQ NAD 5.24781
414 6FP4 FAD 5.24781
415 6FP4 E1T 5.24781
416 4J36 1HR 5.24781
417 4J36 FAD 5.24781
418 4Z24 FAD 5.24781
419 5JY6 NAD 5.24781
420 5I39 FAD 5.24781
421 2BRY FAD 5.24781
422 2DPY ADP 5.24781
423 5EB4 FAD 5.24781
424 4HA6 FAD 5.31496
425 5N6C NAD 5.33333
426 1VI2 NAD 5.33333
427 4ZCC NAI 5.35714
428 4ZCC FAD 5.35714
429 5BSH PRO 5.41516
430 6A0S NDP 5.42169
431 6A0S HSE 5.42169
432 4PLT NAI 5.43807
433 4PLT OXM 5.43807
434 1XHC FAD 5.44959
435 1PJS NAD 5.53936
436 2RAB NAD 5.53936
437 2RAB FAD 5.53936
438 1PL6 NAD 5.53936
439 5TUF TDC 5.53936
440 1HYH NAD 5.53936
441 5TUF FAD 5.53936
442 1PL6 572 5.53936
443 1RYI GOA 5.53936
444 4HNN LYS 5.53936
445 4X9M FAD 5.53936
446 1TB4 PEJ 5.53936
447 1RYI FAD 5.53936
448 5MQ6 NDP 5.53936
449 4X1B MLI 5.53936
450 4YEE 4CQ 5.55556
451 1NPD NAD 5.55556
452 6GNA FAD 5.55556
453 3A06 NDP 5.58511
454 3A06 FOM 5.58511
455 4GKV NAD 5.65476
456 2G5C NAD 5.69395
457 3KLJ FAD 5.71429
458 4UP3 FAD 5.73248
459 4UP3 NDP 5.73248
460 2HK9 NAP 5.81818
461 2HK9 ATR 5.81818
462 5KMS NAD 5.8309
463 3ABI NAD 5.8309
464 5HV7 RBL 5.8309
465 2VHW NAI 5.8309
466 2IVD FAD 5.8309
467 4NTD FAD 5.8309
468 5KMS FAD 5.8309
469 2BOS GLA GAL GLC NBU 5.88235
470 2BOS GLA GAL GLC 5.88235
471 4Y9D NAI 5.90164
472 3L4S 3PG 5.95238
473 3L4S NAD 5.95238
474 2IMG MLT 5.96026
475 1JNR FAD 6
476 2WC1 FMN 6.04396
477 2GAG NAD 6.06061
478 2GAG FAD 6.06061
479 2GAG FOA 6.06061
480 2AG8 NAP 6.08365
481 1SAY PYR 6.09418
482 1YQD NAP 6.12245
483 5J5Z FAD 6.12245
484 5YAP 8S0 6.12245
485 5DN9 NAD 6.12245
486 1V59 FAD 6.12245
487 3H9E NAD 6.12245
488 2CUL FAD 6.12245
489 3AB1 FAD 6.12245
490 4EDF UPG 6.12245
491 3ETG GTP 6.12245
492 3ETG GLU 6.12245
493 5YAP NAI 6.12245
494 3ETG NDP 6.12245
495 4II2 ATP 6.13497
496 2Q7V FAD 6.15385
497 2CVZ NDP 6.22837
498 4XB2 NDP 6.26866
499 4XB2 HSE 6.26866
500 1H2B NAJ 6.41399
501 2QA1 FAD 6.41399
502 2VVM FAD 6.41399
503 1D1T NAD 6.41399
504 3OA2 NAD 6.41399
505 4EIP FAD 6.41399
506 3DAG FEG 6.41399
507 4EIP K2C 6.41399
508 5U5G NAP 6.44068
509 1YNS HPO 6.51341
510 2VYN NAD 6.58683
511 2BKA NDP 6.61157
512 3QFA FAD 6.70554
513 2JHF NAD 6.70554
514 2JB2 PHE 6.70554
515 2JB2 FAD 6.70554
516 1P0F NAP 6.70554
517 1J5P NAD 6.71937
518 5KKA 6V0 6.73077
519 4MP8 NAD 6.78466
520 4MP8 MLI 6.78466
521 2RI1 GLP 6.80851
522 1CF2 NAP 6.82493
523 2OOR NAD 6.89655
524 1LTH NAD 6.89655
525 1DSS NAD 6.90691
526 2HMT NAI 6.94444
527 6F3N ADN 6.99708
528 6F3N NAD 6.99708
529 1J0X NAD 6.99708
530 3L9W AMP 6.99708
531 5JCA FAD 6.99708
532 5JCA NDP 6.99708
533 4HXY NDP 6.99708
534 6F3M NAD 6.99708
535 3L9W GSH 6.99708
536 3BY9 SIN 6.99708
537 2DT5 NAD 7.109
538 3WBF API 7.21311
539 3WBF NAP 7.21311
540 5X9D 80F 7.23684
541 1CER NAD 7.25076
542 1DKU AP2 7.25552
543 1LDN NAD 7.27848
544 1WDK NAD 7.28863
545 2YG3 FAD 7.28863
546 2FZW NAD 7.28863
547 2VVL FAD 7.28863
548 2C7G FAD 7.28863
549 2C7G ODP 7.28863
550 2Y6Q FAD 7.28863
551 2Y6Q I7T 7.28863
552 5N0J FAD 7.40741
553 1FWV SGA MAG FUC 7.46269
554 2F1K NAP 7.52688
555 1GPE FAD 7.58017
556 1CDO NAD 7.58017
557 2EV9 SKM 7.60456
558 2EV9 NAP 7.60456
559 6AA8 NAD 7.61589
560 3JQ7 DX2 7.63889
561 3BMO AX4 7.63889
562 3BMQ AX5 7.63889
563 3JQ8 DX3 7.63889
564 4CM4 4NR 7.63889
565 2I3G NAP 7.67045
566 2Y7P SAL 7.79817
567 5FI3 NAP 7.84314
568 1EZ4 NAD 7.86164
569 1LC3 NAD 7.87172
570 4J56 FAD 7.87172
571 2GZ3 NAP 7.87172
572 2NAD NAD 7.87172
573 2GSD NAD 7.87172
574 4RQU NAD 7.87172
575 5J7X FAD 7.87172
576 5O98 NAP 7.88644
577 2CDU ADP 8.16327
578 2YYY NAP 8.16327
579 2Z3Y F2N 8.16327
580 2CDU FAD 8.16327
581 4CQM NAP 8.19672
582 5N53 8NB 8.20513
583 5NM7 GLY 8.27068
584 5N6N SUC 8.33333
585 5OJL TXP 8.38926
586 5YEC ATP 8.40336
587 4EMJ FAD 8.41121
588 4D3F NAP 8.45481
589 1MV8 NAD 8.45481
590 5U8U FAD 8.45481
591 2PK3 A2R 8.72274
592 2CDC XYP 8.74636
593 2CDC XYS 8.74636
594 5X68 FAD 8.74636
595 2CDC NAP 8.74636
596 5KVS NAP 8.74636
597 3OND ADN 9.0379
598 3OND NAD 9.0379
599 1DLJ UGA 9.0379
600 1DLJ NAI 9.0379
601 5VN0 NAI 9.0379
602 5VN0 FAD 9.0379
603 5H81 NAP 9.2545
604 2VT3 ATP 9.30233
605 5M67 NAD 9.32945
606 5M67 ADE 9.32945
607 5M67 3D1 9.32945
608 5TTJ FAD 9.32945
609 4M1U A2G MBG 9.42761
610 1KYQ NAD 9.48905
611 2ZJ1 NAD 9.62099
612 2ZJ1 ARJ 9.62099
613 1O94 ADP 9.62099
614 1DJN ADP 9.62099
615 6CI9 NAP 9.65251
616 1KEV NDP 9.68661
617 1ZH8 NAP 9.70588
618 1A5Z NAD 9.71787
619 1O6Z NAD 9.90099
620 6BII NAP 9.90991
621 4JDR FAD 9.91254
622 2R4J 13P 9.91254
623 2R4J FAD 9.91254
624 2ZXI FAD 9.91254
625 4MOP 2H5 9.91254
626 1RV0 NDG 10
627 4R5M NAP 10.1064
628 4YSX FAD 10.1064
629 4R5M 4NO 10.1064
630 1P7T PYR 10.2041
631 3ORF NAD 10.3586
632 5Z2F NAP 10.566
633 2Q0L FAD 10.6109
634 2Q0L NAP 10.6109
635 1LDM NAD 10.9422
636 3WFD AXO 10.9589
637 1M0S CIT 10.9589
638 3Q3C NAD 11.0368
639 1ZK7 FAD 11.0787
640 1RM0 D6P 11.0787
641 1RM0 NAI 11.0787
642 1UWK NAD 11.0787
643 1UWK URO 11.0787
644 5ZI2 NAD 11.0787
645 5ZI2 ADP 11.0787
646 1NVT NAP 11.1498
647 4D79 ATP 11.2319
648 5NII FAD 11.3269
649 5OCM NAP 11.3402
650 6AM8 TRP 11.3703
651 1J49 NAD 11.4114
652 5Y8L HUI 11.5254
653 5Y8L NAD 11.5254
654 1ZQ9 SAM 11.5789
655 5JE8 NAD 11.5894
656 2VWT PYR 11.6105
657 3Q9T FAY 11.6618
658 4B4U NAP 11.6618
659 5ODQ FAD 11.6618
660 5ODQ 9SB 11.6618
661 1E6E FAD 11.7188
662 4XZ3 ACP 11.7391
663 1P77 ATR 11.7647
664 4YRY NAD 11.9534
665 4YRY FAD 11.9534
666 5GZ6 7C3 11.9632
667 5GZ6 NDP 11.9632
668 5AOV NAP 12.2024
669 1JAY NAP 12.2642
670 5TWB FAD 12.5364
671 1HKU NAD 12.828
672 3ZNN FAD 12.828
673 3ZNN 4WL 12.828
674 1Q1R FAD 12.828
675 2DBZ NAP 12.8743
676 1N1G BCP 13.4111
677 1QO8 FAD 13.4111
678 5TOW ADN 13.7026
679 5TOW NAI 13.7026
680 1V8B NAD 13.9942
681 5X20 NAD 14.4231
682 5GSN NAP 14.8688
683 5GSN FAD 14.8688
684 5GSN MMZ 14.8688
685 1O8B ABF 15.0685
686 5Z2L NDP 15.102
687 3B1F NAD 15.5172
688 2XVE FAD 15.7434
689 3AD8 NAD 15.7434
690 3AD8 FAD 15.7434
691 3AD8 PYC 15.7434
692 3O5N BR0 16.0714
693 4USI AKG 16.2338
694 2XVF FAD 16.6181
695 4JJF N2I 16.6181
696 4JJF FE9 16.6181
697 1YKJ FAD 16.9096
698 1YKJ PHB 16.9096
699 2BE5 TGT 17.1717
700 2F5Z FAD 17.1875
701 4FWE FAD 17.7843
702 4GUS FAD 18.5484
703 4GUT FAD 18.5484
704 4HSU FAD 18.5484
705 5N2I NAP 20.2586
706 2DC1 NAD 20.339
707 1I36 NAP 20.4545
708 3QV1 NAD 21.9512
709 2VOH CIT 23.0769
710 3RNM FAD 27.5862
Pocket No.: 2; Query (leader) PDB : 4XDZ; Ligand: 40E; Similar sites found with APoc: 62
This union binding pocket(no: 2) in the query (biounit: 4xdz.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 4INW 1EY 1.42857
2 1C1X HFA 1.74927
3 1BW9 PPY 1.74927
4 5IGI ZIT 1.99336
5 5IGI GMP 1.99336
6 4B2G V1N 2.04082
7 6HKE LMR 2.20126
8 6HKE MLT 2.20126
9 1OBB NAD 2.33236
10 2OFW ADX 2.40385
11 3RHJ NAP 2.62391
12 2R75 01G 2.66272
13 1DUV PSQ 2.7027
14 2IXB NAD 2.7027
15 4WNP 3RJ 2.78746
16 3CQD ATP 2.91262
17 4O33 3PG 2.91545
18 4O33 TZN 2.91545
19 3UIE ADX 3
20 2CFC NAD 3.2
21 5OSW AE4 3.207
22 3T2C 13P 3.207
23 2YVJ NAI 3.207
24 3B6C SDN 3.4188
25 4JEJ 1GP 3.49854
26 3OYZ ACO 3.79009
27 1GSA ADP 3.79747
28 1QFT HSM 4
29 3NUG NAD 4.04858
30 1MJH ATP 4.32099
31 5CB8 ADX 4.56853
32 1GTE FMN 4.66472
33 1GTE IUR 4.66472
34 4OAG ADP 4.77612
35 3KPB SAM 4.91803
36 4MOB COA 4.95627
37 5K8B PDG 4.95627
38 3MJY FMN 4.95627
39 3MJY IJZ 4.95627
40 1L6O SER LEU LYS LEU MET THR THR VAL 5.26316
41 1RYI GOA 5.53936
42 1RYI FAD 5.53936
43 3T4L ZEA 5.53936
44 4JB0 ENO 6.12245
45 4JB0 FER 6.12245
46 1W6U HXC 6.62252
47 5VEG FMN 6.70554
48 1UP7 NAD 6.70554
49 3WLV AZA 6.73077
50 3ZV6 4HB 6.76157
51 3ZV6 NAD 6.76157
52 2QQ0 THM 7.06522
53 4M73 M72 7.71513
54 4M73 SAH 7.71513
55 1IY8 NAD 7.86517
56 4ZBR NPS 8.16327
57 3N26 ARG 8.53659
58 5VZ0 ADP 9.32945
59 6GNF QPS 10.7872
60 2WSB NAD 11.0236
61 2QF7 AGS 12.2449
62 1JAY F42 12.2642
Pocket No.: 3; Query (leader) PDB : 4XDZ; Ligand: 40E; Similar sites found with APoc: 16
This union binding pocket(no: 3) in the query (biounit: 4xdz.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 1TPY SAH 1.74216
2 1KPH SAH 2.43902
3 1KPG SAH 2.43902
4 6FCX SAH 2.91545
5 3B8X G4M 3.79009
6 6GAQ FMN 3.8961
7 6C4A PYR 4.08163
8 4D3S BOG 5.46075
9 2J8C U10 5.86319
10 6GKV SAH 6.41399
11 2QQ0 ANP 7.06522
12 2QQ0 TMP 7.06522
13 2QQ0 ADP 7.06522
14 4LZJ 22H 7.26073
15 6FSG FMN 14.2857
16 4BMO FMN 15.9664
Pocket No.: 4; Query (leader) PDB : 4XDZ; Ligand: NDP; Similar sites found with APoc: 18
This union binding pocket(no: 4) in the query (biounit: 4xdz.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4TQK NAG 1.74927
2 2HIM ASP 2.04082
3 5L4S NAP 2.51572
4 5L4S 6KX 2.51572
5 5ZXD ATP 2.91545
6 1U3G ADP 3.1746
7 5HWK BEZ 3.33333
8 2X7I CIT 3.8961
9 1U1I NAD 5.24781
10 1G0N NDP 5.30035
11 1G0N PHH 5.30035
12 2R00 OEG 5.35714
13 5OFW 9TW 7.17489
14 3TN7 NJP 7.393
15 1NME 159 8.21918
16 1G8S MET 8.26087
17 1B09 PC 9.2233
18 4URS C2E 14.8936
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