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Receptor
PDB id Resolution Class Description Source Keywords
1MB4 1.84 Å EC: 1.2.1.11 CRYSTAL STRUCTURE OF ASPARTATE SEMIALDEHYDE DEHYDROGENASE FR CHOLERAE WITH NADP AND S-METHYL-L-CYSTEINE SULFOXIDE VIBRIO CHOLERAE ENZYME ASPARTATE-SEMIALDEHYDE DEHYDROGENASE COMPLEX VIBRICHOLERAE OXIDOREDUCTASE
Ref.: A STRUCTURAL BASIS FOR THE MECHANISM OF ASPARTATE-BETA-SEMIALDEHYDE DEHYDROGENASE FROM VIBR CHOLERAE PROTEIN SCI. V. 12 27 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CYS A:500;
B:501;
Invalid;
Invalid;
none;
none;
submit data
121.158 C3 H7 N O2 S C([C@...
NDP A:502;
B:503;
Valid;
Valid;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4R5M 1.89 Å EC: 1.2.1.11 CRYSTAL STRUCTURE OF VC-ASPARTATE BETA-SEMIALDEHYDE-DEHYDROG NADP AND 4-NITRO-2-PHOSPHONO-BENZOIC ACID VIBRIO CHOLERAE O1 ROSSMANN FOLD OXIDOREDUCTASE NADP CYPOPLASM
Ref.: A CAUTIONARY TALE OF STRUCTURE-GUIDED INHIBITOR DEV AGAINST AN ESSENTIAL ENZYME IN THE ASPARTATE-BIOSYN PATHWAY. ACTA CRYSTALLOGR.,SECT.D V. 70 3244 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1MB4 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 4R5M Ki = 0.076 mM 4NO C7 H6 N O7 P c1cc(c(cc1....
3 3PZR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1TA4 - ART As O4 [O-][As](=....
2 1TB4 Ki = 0.2 mM PEJ I O4 [O-]I(=O)(....
3 1PQU - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 1MB4 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
5 4R5M Ki = 0.076 mM 4NO C7 H6 N O7 P c1cc(c(cc1....
6 3PZR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1TA4 - ART As O4 [O-][As](=....
2 1TB4 Ki = 0.2 mM PEJ I O4 [O-]I(=O)(....
3 1PQU - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 1MB4 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
5 4R5M Ki = 0.076 mM 4NO C7 H6 N O7 P c1cc(c(cc1....
6 3PZR - NAP C21 H28 N7 O17 P3 c1cc(c[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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4R5M; Ligand: 4NO; Similar sites found with APoc: 638
This union binding pocket(no: 1) in the query (biounit: 4r5m.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 4NBT NAD 1.25
2 4CNK MEU 1.32979
3 6F3N NAD 1.32979
4 6F3N ADN 1.32979
5 6F3M NAD 1.32979
6 2PV7 NAD 1.34228
7 5UR0 NAD 1.43266
8 1KYQ NAD 1.45985
9 1J0X NAD 1.50602
10 1CER NAD 1.51057
11 1GAD NAD 1.51515
12 2ZAT NAP 1.53846
13 3C1O NAP 1.55763
14 2WSB NAD 1.5748
15 4OOE FOM 1.59574
16 4OOE NDP 1.59574
17 3K5I AIR 1.59574
18 1GQ2 NAP 1.59574
19 5KMS NAD 1.59574
20 3O9Z NAD 1.60256
21 3O9Z AKG 1.60256
22 1U3U BNF 1.60428
23 1U3U NAD 1.60428
24 5Z21 NAI 1.67598
25 1HKU NAD 1.67598
26 1KEV NDP 1.7094
27 4W6Z 8ID 1.72911
28 5ZEC NAP 1.75439
29 4XDY NAI 1.77515
30 4ZCC NAI 1.78571
31 4ZCC FAD 1.78571
32 1WMA NDP 1.81159
33 1WMA AB3 1.81159
34 2CVQ NDP 1.83486
35 5Z75 NAD 1.83486
36 3OJO NAD 1.85615
37 2VTD LKM 1.8617
38 2O4C NAD 1.8617
39 3ETG GLU 1.8617
40 3ETG NDP 1.8617
41 3ETG GTP 1.8617
42 4BJZ P3A 1.8617
43 4BJZ FAD 1.8617
44 3T31 DCQ 1.8617
45 3T31 FAD 1.8617
46 5KOX FAD 1.8617
47 5KOX RFP 1.8617
48 2NPX NAD 1.8617
49 2JHF NAD 1.87166
50 1LDN NAD 1.89873
51 4OSP NAP 1.90114
52 1FDJ 2FP 1.92837
53 3AFN NAP 1.93798
54 3ICC NAP 1.96078
55 1BW9 NAD 1.96629
56 1BXG NAD 1.96629
57 1C1X NAD 1.97183
58 1W6U NAP 1.98676
59 1W73 NAP 1.98676
60 1W8D NAP 1.98676
61 3GFB NAD 2
62 1OC2 NAD 2.01149
63 1OC2 TDX 2.01149
64 5OJL TXP 2.01342
65 2DFV NAD 2.01729
66 1Z17 ILE 2.03488
67 4YCA NDP 2.04082
68 5A04 BGC 2.0649
69 5A04 NDP 2.0649
70 4L8V NAP 2.07715
71 4E13 NAD 2.12014
72 4ZGS NAD 2.12766
73 6C4T NA7 2.12766
74 1MUU NAD 2.12766
75 5YAP NAI 2.12766
76 5YAP 8S0 2.12766
77 5MSO NAP 2.12766
78 1MV8 NAD 2.12766
79 2Y6Q I7T 2.12766
80 2Y6Q FAD 2.12766
81 5UAO FAD 2.12766
82 2IXB A2G 2.12766
83 3VPD CIT 2.13523
84 3HB5 NAP 2.14067
85 1P0F NAP 2.14477
86 5DN9 NAD 2.1978
87 4WAS NAP 2.1978
88 4WAS COO 2.1978
89 3LU1 NAD 2.1978
90 4G5H UD7 2.20386
91 4G5H NAP 2.20386
92 2YY7 NAD 2.24359
93 5AYV KPL 2.26537
94 5AYV NAP 2.26537
95 1SB8 UD2 2.27273
96 1SB8 NAD 2.27273
97 3WV8 ATP 2.29358
98 4RQL SNE 2.31092
99 2GN4 NDP 2.32558
100 2GN4 UD1 2.32558
101 2Q2V NAD 2.35294
102 1UDB NAD 2.36686
103 1UDB UFG 2.36686
104 2C29 NAP 2.37389
105 1YKJ FAD 2.39362
106 1YKJ PHB 2.39362
107 4N4J HG1 2.39362
108 4EMI NAD 2.39362
109 4J1Q NDP 2.39362
110 4Z24 FAD 2.39362
111 3GD4 NAD 2.39362
112 4D04 FAD 2.39362
113 4D04 NAP 2.39362
114 3CMC NAD 2.39521
115 1VL0 NAI 2.39726
116 4PLT NAI 2.41692
117 4PLT OXM 2.41692
118 5OOH 9ZZ 2.42718
119 5OOH NAP 2.42718
120 4JBI NDP 2.43243
121 2J5V PCA 2.45232
122 5IN4 GDP 2.47253
123 5IN4 NAP 2.47253
124 5IN4 6CK 2.47253
125 2PK3 A2R 2.49221
126 4CJX NAP 2.50784
127 3CTY FAD 2.50784
128 1PL6 572 2.52809
129 1PL6 NAD 2.52809
130 2B4Q NAP 2.53623
131 4ZRN UPG 2.5641
132 4ZRN NAD 2.5641
133 1AE1 NAP 2.5641
134 4ITU 1HS 2.60223
135 4ITU NAI 2.60223
136 5EIN NAP 2.61628
137 5YU3 PRO 2.61628
138 5YU3 NAD 2.61628
139 1M3U KPL 2.65152
140 2ZJ1 ARJ 2.65957
141 2ZJ1 NAD 2.65957
142 4EIP FAD 2.65957
143 6C4N NAP 2.65957
144 4EIP K2C 2.65957
145 2AQJ FAD 2.65957
146 2AQJ TRP 2.65957
147 2QA1 FAD 2.65957
148 1OAA OAA 2.65957
149 5JCM ISD 2.65957
150 5JCM NAD 2.65957
151 5JCM FAD 2.65957
152 4RQU NAD 2.66667
153 5OJI NAP 2.69231
154 5OJI ISN 2.69231
155 4MDH NAD 2.69461
156 5MDH NAD 2.7027
157 4KOA NDP 2.7027
158 2GLX NDP 2.71084
159 1GR0 NAD 2.7248
160 1YQD NAP 2.73224
161 1GEG NAD 2.73438
162 5YSS NAD 2.73438
163 5Y1G AKB 2.7439
164 5Y1G NAD 2.7439
165 1LUA NAP 2.78746
166 1T26 GBD 2.79503
167 1T26 NAI 2.79503
168 2B5W NAP 2.80112
169 2A92 NAI 2.80374
170 1BXK NAD 2.8169
171 4D42 W0I 2.83688
172 4D42 NAP 2.83688
173 2BD0 NAP 2.86885
174 5X20 NAD 2.88462
175 2BKA NDP 2.89256
176 5Z20 NAI 2.89855
177 2B4R NAD 2.89855
178 2B4R AES 2.89855
179 1Q0H NDP 2.92553
180 1Q0H FOM 2.92553
181 1U1I NAD 2.92553
182 4HXY NDP 2.92553
183 5HXI 5HN 2.92553
184 5HXI FAD 2.92553
185 5VN0 NAI 2.92553
186 1SC6 NAD 2.92553
187 3GMB FAD 2.92553
188 6FP4 E1T 2.92553
189 5A1T NAI 2.93255
190 5A1T OXM 2.93255
191 1O6Z NAD 2.9703
192 1YJQ NAP 2.9703
193 4B7X NAP 2.97619
194 6AA8 NAD 2.98013
195 1VL8 NAP 2.99625
196 1J49 NAD 3.003
197 2GCG NDP 3.0303
198 2DTX BMA 3.0303
199 5KQA GSH 3.0303
200 1ZEM NAD 3.05344
201 1K3T BRZ 3.06407
202 5LD5 NAD 3.07263
203 2AE2 PTO 3.07692
204 2AE2 NAP 3.07692
205 3A28 NAD 3.10078
206 1YKF NAP 3.125
207 5L4S NAP 3.14465
208 5L4S 6KX 3.14465
209 1J5P NAD 3.16206
210 2Q46 NAP 3.16206
211 6A3J NAI 3.17073
212 4UP3 NDP 3.18471
213 3A06 FOM 3.19149
214 3A06 NDP 3.19149
215 5U8U FAD 3.19149
216 3S5W NAP 3.19149
217 4K5S FAD 3.19149
218 4K5S PM0 3.19149
219 1Z45 NAD 3.19149
220 1WVG APR 3.19149
221 4QED NAP 3.19149
222 4MOP 2H5 3.19149
223 1HYE NAP 3.19489
224 5KKA 6V0 3.20513
225 2Q0L NAP 3.21543
226 1Y1P NMN AMP PO4 3.21637
227 5T2U NAP 3.22581
228 4D3F NAP 3.22581
229 2JAP NDP 3.23887
230 2JAH NDP 3.23887
231 1JA9 NDP 3.28467
232 1P77 ATR 3.30882
233 1NYT NAP 3.32103
234 1SAY PYR 3.3241
235 5OVL NAP 3.33333
236 3WMX NAD 3.35196
237 1RKX NAD 3.36134
238 3IP6 PRO 3.37079
239 3I7S PYR 3.42466
240 1EK6 UPG 3.44828
241 1EK6 NAI 3.44828
242 1U7T TDT 3.44828
243 1U7T NAD 3.44828
244 1KOL NAD 3.45745
245 5H81 NAP 3.45745
246 4XFR CIT 3.45745
247 5EVY FAD 3.45745
248 2GSD NAD 3.45745
249 5UY8 AMZ 3.45745
250 1E1M FAD 3.45745
251 1E1M NAP 3.45745
252 5MLR GRQ 3.45745
253 5MLR NAP 3.45745
254 1EZ4 NAD 3.45912
255 5G4L NDP 3.4965
256 5T96 79J 3.50877
257 3O26 NDP 3.53698
258 5DOZ NDP 3.5503
259 4GLL NAD 3.56083
260 1XKQ NDP 3.57143
261 3KB6 NAD 3.59281
262 2BGM NAJ 3.59712
263 2RH4 EMO 3.61011
264 5O42 NAD 3.64964
265 5O42 9JW 3.64964
266 5O42 BGC 3.64964
267 5Z2L NDP 3.67347
268 1YB5 NAP 3.7037
269 3ICT ADP 3.7234
270 3ICS ADP 3.7234
271 2CDU ADP 3.7234
272 1DLJ NAI 3.7234
273 1DLJ UGA 3.7234
274 6ER9 FAD 3.7234
275 6ER9 NAP 3.7234
276 4EVQ PHB 3.73333
277 1CDO NAD 3.74332
278 3A4V PYR 3.78549
279 3A4V NAD 3.78549
280 5O98 NAP 3.78549
281 4J7U NAP 3.81944
282 4J7U YTZ 3.81944
283 1E3W NAD 3.83142
284 1E6W NAD 3.84615
285 1X1T NAD 3.84615
286 3VPH NAD 3.87097
287 3VPH OXM 3.87097
288 3OID NDP 3.87597
289 4BVA NDP 3.8806
290 4BVA T3 3.8806
291 5OVK NDP 3.90625
292 6A0S NDP 3.91566
293 6A0S HSE 3.91566
294 9LDT NAD 3.91566
295 9LDB NAD 3.91566
296 1PZG A3D 3.92749
297 3WXB NDP 3.94265
298 1SOW NAD 3.96341
299 4AP9 1PS 3.9801
300 3FPZ AHZ 3.98773
301 2QRK AMP 3.98936
302 5GUD NDP 3.98936
303 3NJ4 AFX 3.98936
304 3NJ4 NAD 3.98936
305 1I2B NAD 3.98936
306 1I2B UPG 3.98936
307 1I2B USQ 3.98936
308 2Q1S NAI 3.98936
309 5Y77 FAD 3.98936
310 5GUD 2IT 3.98936
311 4EUE NAI 3.98936
312 1V8B NAD 3.98936
313 5GUD CIT 3.98936
314 4U7W NDP 3.98936
315 5WS9 OXL 3.98936
316 3FIU POP 4.01606
317 3TWO NDP 4.02299
318 6F9Q NAD 4.04412
319 5VKT NAP 4.14365
320 1R6D DAU 4.1543
321 1R6D NAD 4.1543
322 4Z7X 3CX 4.20168
323 4OM8 NAD 4.20712
324 4E5N NAD 4.24242
325 1DIG NAP 4.24837
326 1DIG L37 4.24837
327 4XQC 13D 4.25532
328 4XQC NAD 4.25532
329 3CIF G3H 4.25532
330 3CIF NAD 4.25532
331 3UCL NAP 4.25532
332 2YVF FAD 4.25532
333 5MZI FAD 4.25532
334 5MZI FYK 4.25532
335 2YVF NAD 4.25532
336 3UCL CYH 4.25532
337 3UCL FAD 4.25532
338 3GVL SLB 4.25532
339 5O9F 9ON 4.26136
340 5O9F NAD 4.26136
341 2DT5 NAD 4.2654
342 2CUL FAD 4.31034
343 2DKN NAI 4.31373
344 1R37 NAD 4.32277
345 4FN4 NAD 4.33071
346 5ZI2 NAD 4.34783
347 5ZI2 ADP 4.34783
348 5UAV NDP 4.34783
349 5UAV TFB 4.34783
350 3G5K BB2 4.37158
351 5CAE SIN 4.47284
352 5CAE COA 4.47284
353 2DBZ NAP 4.49102
354 5JY6 NAD 4.49438
355 3D3W NAP 4.5082
356 1PR9 NAP 4.5082
357 5NUF NAD 4.51807
358 5NUE NAD 4.51807
359 1V6A TRE 4.51807
360 2FR1 NDP 4.52128
361 3OND NAD 4.52128
362 3OND ADN 4.52128
363 1N9G NAP 4.52128
364 2WPF WPF 4.52128
365 2WPF FAD 4.52128
366 2JL1 NAP 4.52962
367 1UXG NAD 4.53074
368 1UXG FUM 4.53074
369 5GT9 NAP 4.56274
370 4J36 FAD 4.57831
371 4J36 1HR 4.57831
372 5B4T 3HR 4.61538
373 5B4T NAD 4.61538
374 6DNT NAD 4.65116
375 2F1K NAP 4.6595
376 1FK8 NAD 4.66926
377 3L4N GSH 4.72441
378 1RPN NDP 4.77612
379 3ORF NAD 4.78088
380 1DRV A3D 4.78723
381 1HDG NAD 4.78723
382 3CGD COA 4.78723
383 5TUF FAD 4.78723
384 3CGD NAD 4.78723
385 5TUF TDC 4.78723
386 3CGD FAD 4.78723
387 5EOW FAD 4.78723
388 2IID FAD 4.78723
389 2IID PHE 4.78723
390 5TS5 FAD 4.78723
391 6EL3 NAP 4.78723
392 6CEP OXM 4.79042
393 6CEP NAD 4.79042
394 6BII NAP 4.8048
395 3KO8 NAD 4.80769
396 1D1T NAD 4.82574
397 2VZ0 D64 4.85075
398 2VZ0 NAP 4.85075
399 2NU8 COA 4.86111
400 1B8U OAA 4.86322
401 1B8U NAD 4.86322
402 5DF1 NAP 4.8913
403 5DF1 58X 4.8913
404 5L4L NAP 4.93421
405 2D2I NAP 5
406 1F06 2NP 5
407 1F06 NDP 5
408 1EBF NAD 5.02793
409 5XWV NDP 5.04032
410 5XWV 8H6 5.04032
411 1GZ4 ATP 5.05319
412 5HV7 RBL 5.05319
413 1GY8 NAD 5.05319
414 2GDZ NAD 5.05319
415 3KLL MAL 5.05319
416 2CE7 ADP 5.05319
417 1E5Q NDP 5.05319
418 1REO FAD 5.05319
419 3VZS NAP 5.05837
420 3VZS CAA 5.05837
421 2DC1 NAD 5.08475
422 1TL2 NDG 5.08475
423 4Z0H NAD 5.08982
424 2FZW NAD 5.09383
425 2DM6 NAP 5.1051
426 2DM6 IMN 5.1051
427 5WQP NAP 5.12821
428 5BJX UDP 5.19126
429 5BJX NAD 5.19126
430 3HAD NAD 5.19481
431 1NVT NAP 5.22648
432 3RFV NAI 5.24345
433 5ZZ6 NAD 5.28846
434 5ZZ6 ADP 5.28846
435 5JE8 NAD 5.29801
436 1W96 S1A 5.31915
437 4RF2 NAP 5.31915
438 1VKO NAD 5.31915
439 3HWW AKG 5.31915
440 3V1Y NAD 5.34125
441 1RM4 NDP 5.34125
442 1CF2 NAP 5.34125
443 2QZZ NAP 5.34591
444 2QZZ EMF 5.34591
445 5G6U TRP 5.36398
446 4IDC NDP 5.42169
447 4IDC 1XX 5.42169
448 5FFF NAP 5.44747
449 5FFF 5XC 5.44747
450 4O0L NDP 5.45455
451 3I6I NDP 5.49133
452 2YVJ NAI 5.50459
453 1NVM NAD 5.50725
454 2RI1 GLP 5.53191
455 3SJ7 NDP 5.55556
456 3WBF NAP 5.57377
457 3WBF API 5.57377
458 5XWC 2IT 5.58511
459 5XWC 8GL 5.58511
460 5XWC NAP 5.58511
461 3B20 NAD 5.60472
462 3B1J NAD 5.60472
463 1A5Z NAD 5.64263
464 4URF NAD 5.64516
465 4GKV NAD 5.65476
466 1JAY NAP 5.66038
467 1VI2 NAD 5.66667
468 1I36 NAP 5.68182
469 1DSS NAD 5.70571
470 6BWL NAD 5.79268
471 1PJS NAD 5.85106
472 4UBT 3G6 5.85106
473 2BRY FAD 5.85106
474 5FI3 NAP 5.88235
475 1NPD NAD 5.90278
476 5T9F TYR 5.90406
477 5T9F NAP 5.90406
478 1FWV SGA MAG FUC 5.97015
479 1WDK NAD 6.01399
480 1H5Q NAP 6.03774
481 2VT3 ATP 6.04651
482 3GGO ENO 6.05096
483 3GGO NAI 6.05096
484 1XHL NDP 6.06061
485 4RJD TFP 6.06061
486 4KWI NAP 6.08365
487 4KWI 1TJ 6.08365
488 1O0S NAI 6.11702
489 1H82 GZZ 6.11702
490 1H82 FAD 6.11702
491 1EDO NAP 6.14754
492 5OCM NAP 6.18557
493 5K4W THR 6.23053
494 5K4W NAI 6.23053
495 2I3G NAP 6.25
496 4XB2 NDP 6.26866
497 4XB2 HSE 6.26866
498 3BAZ NAP 6.30631
499 1LDM NAD 6.38298
500 4NBU NAI 6.4
501 5A96 GTP 6.4257
502 1GUZ NAD 6.45161
503 6CI9 NAP 6.56371
504 3ABI NAD 6.57534
505 3H4V NAP 6.59722
506 3H4V DVP 6.59722
507 3L9W AMP 6.64894
508 1PN0 IPH 6.64894
509 1PN0 FAD 6.64894
510 2G5C NAD 6.76157
511 1GV0 NAD 6.77419
512 5AOV NAP 6.84524
513 1UZN NAP 6.88259
514 5N2I NAP 6.89655
515 5J5Z FAD 6.91489
516 1E6E FAD 7.03125
517 1HYH NAD 7.11974
518 3QWI CUE 7.18085
519 3QWI NAP 7.18085
520 2WET FAD 7.18085
521 5ZYN FAD 7.18085
522 5EES NAP 7.28745
523 1C3V NDP 7.34694
524 1N7G GDR 7.34908
525 1N7G NDP 7.34908
526 4XYB NDP 7.41688
527 3AY6 NAI 7.43494
528 3AY6 BGC 7.43494
529 5U5N NAD 7.44681
530 1OMO NAD 7.45342
531 2OOR NAD 7.47126
532 3SJU NDP 7.52688
533 5Z2F NAP 7.54717
534 3B1F NAD 7.58621
535 5N6C NAD 7.66667
536 2VHW NAI 7.69231
537 3RJ5 NAD 7.71277
538 1KEW NAD 7.75623
539 1KEW TYD 7.75623
540 4PLG NAI 7.78443
541 4PLG OXM 7.78443
542 4USI AKG 7.79221
543 2P3V SRT 7.8125
544 5X9D 80F 7.89474
545 3ULK NDP 7.94297
546 1WP4 NDP 7.95848
547 1ZK4 NAP 7.96813
548 1ZK4 AC0 7.96813
549 1E3I CXF 7.97872
550 1RM0 D6P 7.97872
551 5M67 3D1 7.97872
552 5M67 ADE 7.97872
553 1RM0 NAI 7.97872
554 5M67 NAD 7.97872
555 4CQM NAP 8.04598
556 1H2B NAJ 8.07799
557 1LC3 NAD 8.16327
558 1LLU NAD 8.18713
559 1OYJ GSH 8.22511
560 5IFS ADP 8.24468
561 2GMH FAD 8.24468
562 4B4U NAP 8.25082
563 2EWM NAD 8.43373
564 1LTH NAD 8.46395
565 1G0N NDP 8.48057
566 1G0N PHH 8.48057
567 3WQQ IB3 8.51064
568 3WQQ NDP 8.51064
569 4KP7 NAP 8.51064
570 4KP7 1UQ 8.51064
571 1PS9 FAD 8.51064
572 3QV1 NAD 8.53659
573 5TC4 NAD 8.5443
574 2CDC XYP 8.74317
575 2CDC XYS 8.74317
576 2CDC NAP 8.74317
577 2EV9 SKM 8.74525
578 2EV9 NAP 8.74525
579 3HQP OXL 8.7766
580 1KJ8 GAR 8.7766
581 2NAD NAD 8.7766
582 4YAG NAI 8.99654
583 3OA2 NAD 9.1195
584 4J4H NAI 9.26641
585 4J4H 1J1 9.26641
586 4JK3 NAD 9.26641
587 5FEU NAP 9.27835
588 5BRT CH9 9.30851
589 1ORR NAD 9.57447
590 2PZM UDP 9.69697
591 2PZM NAD 9.69697
592 5BSH PRO 9.74729
593 2HJR APR 9.7561
594 4DPL NAP 10.0279
595 2RAB NAD 10.1064
596 4XDZ NDP 10.1064
597 1X7D ORN 10.2857
598 1X7D NAD 10.2857
599 1DCP HBI 10.5769
600 4ZVV NAD 10.6383
601 4ZVV GN0 10.6383
602 1VM6 NAD 10.9649
603 5X68 FAD 11.4362
604 3WLE NAD 11.4369
605 3H9E NAD 11.5607
606 2VYN NAD 11.6766
607 1E7S NAP 11.838
608 1IY8 NAD 11.985
609 2Q1W NAD 12.3123
610 5C2N NAG 12.5
611 5GZ6 7C3 12.5767
612 5GZ6 NDP 12.5767
613 4PIV NDP 12.766
614 4Y9D NAI 12.7869
615 2D2F ADP 12.8
616 4NBW NAD 12.8405
617 3CH6 311 12.9371
618 3CH6 NAP 12.9371
619 1BDB NAD 12.9964
620 1XG5 NAP 13.2616
621 5TOW ADN 14.0957
622 5TOW NAI 14.0957
623 4MP8 MLI 14.7493
624 4MP8 NAD 14.7493
625 3ZV6 4HB 14.8936
626 3ZV6 NAD 14.8936
627 2HK9 ATR 15.9574
628 2HK9 NAP 15.9574
629 2AZ3 CDP 16.4634
630 3MMH SME 17.3653
631 1LSS NAD 17.8571
632 4EDF UPG 19.4149
633 3L4S NAD 19.6429
634 3L4S 3PG 19.6429
635 5THQ NDP 21.3235
636 3TN7 NJP 22.179
637 1I7Q PYR 22.7979
638 3F6R FMN 23.6486
Pocket No.: 2; Query (leader) PDB : 4R5M; Ligand: NAP; Similar sites found with APoc: 909
This union binding pocket(no: 2) in the query (biounit: 4r5m.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 3SQP FAD 1.06383
2 1COY FAD 1.06383
3 4NBT NAD 1.25
4 4CNK MEU 1.32979
5 6F3N ADN 1.32979
6 6F3N NAD 1.32979
7 6F3M NAD 1.32979
8 4M52 M52 1.32979
9 4CNK FAD 1.32979
10 4M52 FAD 1.32979
11 2PV7 NAD 1.34228
12 4Q9N NAI 1.34228
13 1I8T FAD 1.3624
14 5UR0 NAD 1.43266
15 3CGB FAD 1.45833
16 1KYQ NAD 1.45985
17 1J0X NAD 1.50602
18 1CER NAD 1.51057
19 1GAD NAD 1.51515
20 2ZAT NAP 1.53846
21 3C1O NAP 1.55763
22 2WSB NAD 1.5748
23 1TDF NAP 1.58228
24 1TDF FAD 1.58228
25 4O1M NAD 1.5873
26 4OOE FOM 1.59574
27 4OOE NDP 1.59574
28 3K5I AIR 1.59574
29 1GQ2 NAP 1.59574
30 2RGJ FAD 1.59574
31 5KMS NAD 1.59574
32 4OPC FDA 1.59574
33 4OPC PGT 1.59574
34 5TTJ FAD 1.59574
35 2RGH FAD 1.59574
36 3O9Z NAD 1.60256
37 3O9Z AKG 1.60256
38 1U3U NAD 1.60428
39 1U3U BNF 1.60428
40 5Z21 NAI 1.67598
41 1HKU NAD 1.67598
42 1KEV NDP 1.7094
43 4W6Z 8ID 1.72911
44 5ZEC NAP 1.75439
45 4XDY NAI 1.77515
46 4ZCC NAI 1.78571
47 4ZCC FAD 1.78571
48 3LZW NAP 1.80723
49 3LZW FAD 1.80723
50 1WMA NDP 1.81159
51 1WMA AB3 1.81159
52 2CVQ NDP 1.83486
53 5Z75 NAD 1.83486
54 3OJO NAD 1.85615
55 3ETG GLU 1.8617
56 2VTD LKM 1.8617
57 3ETG NDP 1.8617
58 2O4C NAD 1.8617
59 4BJZ FAD 1.8617
60 4BJZ P3A 1.8617
61 3ETG GTP 1.8617
62 3T31 DCQ 1.8617
63 3T31 FAD 1.8617
64 5KOX RFP 1.8617
65 5KOX FAD 1.8617
66 2NPX NAD 1.8617
67 3OZ2 FAD 1.8617
68 3Q9T FAY 1.8617
69 4TM3 FAD 1.8617
70 2JHF NAD 1.87166
71 1LDN NAD 1.89873
72 4OSP NAP 1.90114
73 1FDJ 2FP 1.92837
74 3AFN NAP 1.93798
75 3ICC NAP 1.96078
76 1BW9 NAD 1.96629
77 1BXG NAD 1.96629
78 1C1X NAD 1.97183
79 1W8D NAP 1.98676
80 1W6U NAP 1.98676
81 1W73 NAP 1.98676
82 3GFB NAD 2
83 1OC2 TDX 2.01149
84 1OC2 NAD 2.01149
85 5OJL TXP 2.01342
86 2DFV NAD 2.01729
87 5TWB FAD 2.03488
88 4YCA NDP 2.04082
89 3QJ4 FAD 2.04678
90 5A04 BGC 2.0649
91 5A04 NDP 2.0649
92 4L8V NAP 2.07715
93 4E13 NAD 2.12014
94 1MV8 NAD 2.12766
95 2Y6Q I7T 2.12766
96 2Y6Q FAD 2.12766
97 4ZGS NAD 2.12766
98 5YAP NAI 2.12766
99 5UAO FAD 2.12766
100 2IXB A2G 2.12766
101 2IXB NAD 2.12766
102 4MIG G3F 2.12766
103 1RSG FAD 2.12766
104 4REP FAD 2.12766
105 6C4T NA7 2.12766
106 1MUU NAD 2.12766
107 5NA1 FAD 2.12766
108 5MSO NAP 2.12766
109 4RPL 3UC 2.12766
110 4RPL FAD 2.12766
111 5YAP 8S0 2.12766
112 4KCT PYR 2.12766
113 3VPD CIT 2.13523
114 3HB5 NAP 2.14067
115 1P0F NAP 2.14477
116 5DN9 NAD 2.1978
117 3LU1 NAD 2.1978
118 4WAS NAP 2.1978
119 1C0I FAD 2.20386
120 1C0I BE2 2.20386
121 4G5H UD7 2.20386
122 4G5H NAP 2.20386
123 2X6T NAP 2.2409
124 2YY7 NAD 2.24359
125 2UYQ SAM 2.25806
126 5AYV KPL 2.26537
127 5AYV NAP 2.26537
128 1SB8 UD2 2.27273
129 1SB8 NAD 2.27273
130 3WV8 ATP 2.29358
131 4RQL SNE 2.31092
132 2GN4 NDP 2.32558
133 2GN4 UD1 2.32558
134 2Q2V NAD 2.35294
135 1ZH8 NAP 2.35294
136 1UDB NAD 2.36686
137 1UDB UFG 2.36686
138 5Y8L NAD 2.37288
139 5Y8L HUI 2.37288
140 2C29 NAP 2.37389
141 2C29 DQH 2.37389
142 1YKJ FAD 2.39362
143 1YKJ PHB 2.39362
144 4EMI NAD 2.39362
145 4J1Q NDP 2.39362
146 5MBX SP5 2.39362
147 5MBX FAD 2.39362
148 3X0V FAD 2.39362
149 4Z24 FAD 2.39362
150 3GD4 NAD 2.39362
151 5GSN NAP 2.39362
152 5GSN MMZ 2.39362
153 1VQW FAD 2.39362
154 2GV8 FAD 2.39362
155 5GSN FAD 2.39362
156 4N4J HG1 2.39362
157 2GVC FAD 2.39362
158 4EMI FAD 2.39362
159 4D04 NAP 2.39362
160 4D04 FAD 2.39362
161 5TUK FAD 2.39362
162 3GD4 FAD 2.39362
163 2YG3 FAD 2.39362
164 3CMC NAD 2.39521
165 1VL0 NAI 2.39726
166 4PLT NAI 2.41692
167 4PLT OXM 2.41692
168 3SIX GDP 2.42424
169 5OOH 9ZZ 2.42718
170 5OOH NAP 2.42718
171 4JBI NDP 2.43243
172 5IN4 NAP 2.47253
173 5IN4 6CK 2.47253
174 5IN4 GDP 2.47253
175 2PK3 A2R 2.49221
176 4CJX NAP 2.50784
177 3CTY FAD 2.50784
178 1PL6 572 2.52809
179 1PL6 NAD 2.52809
180 2B4Q NAP 2.53623
181 4HA6 FAD 2.55906
182 4ZRN UPG 2.5641
183 4ZRN NAD 2.5641
184 1AE1 NAP 2.5641
185 1EQ2 NAP 2.58065
186 3WGT QSC 2.59366
187 3WGT FAD 2.59366
188 4ITU 1HS 2.60223
189 4ITU NAI 2.60223
190 5EIN NAP 2.61628
191 5YU3 PRO 2.61628
192 5YU3 NAD 2.61628
193 3AYI HCI 2.63523
194 3AYI FAD 2.63523
195 1M3U KPL 2.65152
196 4EIP FAD 2.65957
197 2ZJ1 NAD 2.65957
198 2ZJ1 ARJ 2.65957
199 4EIP K2C 2.65957
200 2AQJ TRP 2.65957
201 2AQJ FAD 2.65957
202 2QA1 FAD 2.65957
203 5JAQ NAI 2.65957
204 1OAA OAA 2.65957
205 3AXB FAD 2.65957
206 3AXB PRO 2.65957
207 5EZ7 FAD 2.65957
208 5JCM FAD 2.65957
209 5JCM NAD 2.65957
210 5JCM ISD 2.65957
211 2XVE FAD 2.65957
212 4IV9 FAD 2.65957
213 2XVF FAD 2.65957
214 6C4N NAP 2.65957
215 4BV6 FAD 2.65957
216 6H3O FAD 2.65957
217 4RQU NAD 2.66667
218 5OJI ISN 2.69231
219 5OJI NAP 2.69231
220 4MDH NAD 2.69461
221 1F8F NAD 2.69542
222 5MDH NAD 2.7027
223 4KOA NDP 2.7027
224 2GLX NDP 2.71084
225 1GR0 NAD 2.7248
226 1YQD NAP 2.73224
227 1N1G BCP 2.73224
228 1GEG NAD 2.73438
229 5YSS NAD 2.73438
230 5Y1G AKB 2.7439
231 5Y1G NAD 2.7439
232 1LUA NAP 2.78746
233 1T26 GBD 2.79503
234 1T26 NAI 2.79503
235 2B5W NAP 2.80112
236 2A92 NAI 2.80374
237 5J60 FAD 2.8125
238 1BXK NAD 2.8169
239 4D42 W0I 2.83688
240 4D42 NAP 2.83688
241 2BD0 NAP 2.86885
242 5X20 NAD 2.88462
243 2BKA NDP 2.89256
244 5Z20 NAI 2.89855
245 2B4R AES 2.89855
246 2B4R NAD 2.89855
247 5O4J 9KH 2.91971
248 5O4J PJL 2.91971
249 5O4J SAH 2.91971
250 1SC6 NAD 2.92553
251 1Q0H FOM 2.92553
252 1Q0H NDP 2.92553
253 5HXI 5HN 2.92553
254 5HXI FAD 2.92553
255 1U1I NAD 2.92553
256 3GMB FAD 2.92553
257 5VN0 NAI 2.92553
258 5WGR FAD 2.92553
259 4RSL FAD 2.92553
260 4U8P UDP 2.92553
261 4U8P FDA 2.92553
262 3E1T FAD 2.92553
263 6FP4 FAD 2.92553
264 6FP4 E1T 2.92553
265 3EZ2 ADP 2.92553
266 4JDR FAD 2.92553
267 5J7X FAD 2.92553
268 5VN0 FAD 2.92553
269 4HXY NDP 2.92553
270 5A1T NAI 2.93255
271 5A1T OXM 2.93255
272 1YJQ NAP 2.9703
273 1O6Z NAD 2.9703
274 4B7X NAP 2.97619
275 6AA8 NAD 2.98013
276 1VL8 NAP 2.99625
277 1J49 NAD 3.003
278 2DTX BMA 3.0303
279 5K0A FAD 3.0303
280 2GCG NDP 3.0303
281 5KQA GSH 3.0303
282 5U5G NAP 3.05085
283 1ZEM NAD 3.05344
284 6GNC FAD 3.06122
285 1K3T BRZ 3.06407
286 5LD5 NAD 3.07263
287 2AE2 PTO 3.07692
288 2AE2 NAP 3.07692
289 3A28 NAD 3.10078
290 5F5N NAD 3.11419
291 1YKF NAP 3.125
292 4TSK NDP 3.14286
293 5L4S NAP 3.14465
294 5L4S 6KX 3.14465
295 1J5P NAD 3.16206
296 2Q46 NAP 3.16206
297 6A3J NAI 3.17073
298 6A3J SOE 3.17073
299 4UP3 NDP 3.18471
300 4UP3 FAD 3.18471
301 3A06 FOM 3.19149
302 3A06 NDP 3.19149
303 5U8U FAD 3.19149
304 4K5S FAD 3.19149
305 4K5S PM0 3.19149
306 4MOP 2H5 3.19149
307 1Z45 NAD 3.19149
308 1WVG APR 3.19149
309 3S5W NAP 3.19149
310 4FWE FAD 3.19149
311 4QED NAP 3.19149
312 2Z3Y F2N 3.19149
313 3QFA FAD 3.19149
314 1HYE NAP 3.19489
315 5KKA 6V0 3.20513
316 2Q0L NAP 3.21543
317 2Q0L FAD 3.21543
318 1Y1P NMN AMP PO4 3.21637
319 5T2U NAP 3.22581
320 4D3F NAP 3.22581
321 2JAH NDP 3.23887
322 2JAP NDP 3.23887
323 4R1S NAP 3.2641
324 1JA9 NDP 3.28467
325 2V6G NAP 3.2967
326 1P77 ATR 3.30882
327 1NYT NAP 3.32103
328 1SAY PYR 3.3241
329 5OVL NAP 3.33333
330 3WMX NAD 3.35196
331 1RKX NAD 3.36134
332 1ZBQ NAD 3.36391
333 3I7S PYR 3.42466
334 1EK6 NAI 3.44828
335 1U7T TDT 3.44828
336 1EK6 UPG 3.44828
337 1U7T NAD 3.44828
338 1KOL NAD 3.45745
339 5H81 NAP 3.45745
340 1E1M NAP 3.45745
341 1E1M FAD 3.45745
342 2GSD NAD 3.45745
343 1RYI GOA 3.45745
344 5EVY FAD 3.45745
345 1RYI FAD 3.45745
346 5MLR NAP 3.45745
347 5MLR GRQ 3.45745
348 4XFR CIT 3.45745
349 6FHO FAD 3.45745
350 1MO9 FAD 3.45745
351 1MO9 KPC 3.45745
352 5JWC FAD 3.45745
353 1KNR FAD 3.45745
354 1ZK7 FAD 3.45745
355 6F97 FAD 3.45745
356 1EZ4 NAD 3.45912
357 5G4L NDP 3.4965
358 3O26 NDP 3.53698
359 5DOZ NDP 3.5503
360 4GLL NAD 3.56083
361 1XKQ NDP 3.57143
362 4NTC FAD 3.58209
363 3KB6 NAD 3.59281
364 2BGM NAJ 3.59712
365 2RH4 EMO 3.61011
366 5O42 BGC