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Receptor
PDB id Resolution Class Description Source Keywords
5OCM 1.81 Å EC: 1.-.-.- IMINE REDUCTASE FROM STREPTOSPORANGIUM ROSEUM IN COMPLEX WIT AND 2,2,2-TRIFLUOROACETOPHENONE HYDRATE STREPTOSPORANGIUM ROSEUM IMINE AMINE NADPH OXIDOREDUCTASE
Ref.: NEW IMINE-REDUCING ENZYMES FROM BETA-HYDROXYACID DEHYDROGENASES BY SINGLE AMINO ACID SUBSTITUTIONS. PROTEIN ENG. DES. SEL. V. 31 109 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP F:301;
E:301;
A:301;
B:301;
C:301;
D:301;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
MG D:303;
D:304;
D:305;
A:303;
E:303;
F:303;
C:303;
Invalid;
Invalid;
Part of Protein;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
9RH E:302;
D:302;
A:302;
C:302;
B:302;
F:302;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
192.135 C8 H7 F3 O2 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5OCM 1.81 Å EC: 1.-.-.- IMINE REDUCTASE FROM STREPTOSPORANGIUM ROSEUM IN COMPLEX WIT AND 2,2,2-TRIFLUOROACETOPHENONE HYDRATE STREPTOSPORANGIUM ROSEUM IMINE AMINE NADPH OXIDOREDUCTASE
Ref.: NEW IMINE-REDUCING ENZYMES FROM BETA-HYDROXYACID DEHYDROGENASES BY SINGLE AMINO ACID SUBSTITUTIONS. PROTEIN ENG. DES. SEL. V. 31 109 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 5OCM - 9RH C8 H7 F3 O2 c1ccc(cc1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 5OCM - 9RH C8 H7 F3 O2 c1ccc(cc1)....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 4D3S - BOG C14 H28 O6 CCCCCCCCO[....
2 5OCM - 9RH C8 H7 F3 O2 c1ccc(cc1)....
3 4D3F - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAP; Similar ligands found: 123
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NHD 0.68254 0.958904
10 NJP 0.661417 0.972973
11 NFD 0.658915 0.934211
12 NXX 0.619048 0.959459
13 DND 0.619048 0.959459
14 AMP NAD 0.606061 0.958904
15 ZID 0.605839 0.972603
16 NAQ 0.59854 0.922078
17 ATR 0.59292 0.917808
18 NAE 0.591241 0.946667
19 NDE 0.58042 0.986301
20 A22 0.571429 0.958904
21 NAJ 0.567164 0.986111
22 A2R 0.563025 0.932432
23 NDC 0.561644 0.922078
24 NA7 0.552846 0.907895
25 ODP 0.551471 0.935065
26 A2P 0.539823 0.930556
27 8ID 0.537313 0.910256
28 NPW 0.525547 0.8875
29 NZQ 0.521739 0.910256
30 CNA 0.521739 0.959459
31 NDP 0.514493 0.922078
32 PO4 PO4 A A A A PO4 0.503937 0.930556
33 1DG 0.503401 0.922078
34 DG1 0.503401 0.922078
35 TXP 0.5 0.922078
36 NMN AMP PO4 0.492958 0.921053
37 XNP 0.492958 0.875
38 25L 0.492308 0.958904
39 25A 0.492063 0.972222
40 NMN 0.486726 0.888889
41 NGD 0.485714 0.935065
42 9JJ 0.481707 0.8875
43 2AM 0.477876 0.891892
44 ADP 0.458333 0.945205
45 PAP 0.451613 0.931507
46 A2D 0.445378 0.945205
47 AN2 0.442623 0.932432
48 7L1 0.441558 0.777778
49 ADP PO3 0.44 0.944444
50 SAP 0.44 0.896104
51 AGS 0.44 0.896104
52 M33 0.439024 0.906667
53 AR6 AR6 0.438849 0.945205
54 BA3 0.438017 0.945205
55 OAD 0.43609 0.92
56 ADP BMA 0.43609 0.92
57 DQV 0.435714 0.958904
58 HEJ 0.435484 0.945205
59 ATP 0.435484 0.945205
60 OOB 0.435115 0.958904
61 B4P 0.434426 0.945205
62 AP5 0.434426 0.945205
63 GAP 0.433071 0.92
64 0WD 0.432432 0.922078
65 2A5 0.432 0.87013
66 5FA 0.432 0.945205
67 AQP 0.432 0.945205
68 AT4 0.430894 0.907895
69 00A 0.428571 0.909091
70 DAL AMP 0.427481 0.932432
71 CA0 0.427419 0.92
72 ADP ALF 0.426357 0.871795
73 ALF ADP 0.426357 0.871795
74 9X8 0.425373 0.871795
75 ACP 0.424 0.92
76 NAJ PZO 0.423841 0.897436
77 9SN 0.423358 0.897436
78 ADP VO4 0.423077 0.932432
79 VO4 ADP 0.423077 0.932432
80 WAQ 0.422222 0.884615
81 V3L 0.421875 0.945205
82 ACQ 0.421875 0.92
83 ADQ 0.421053 0.92
84 AR6 0.420635 0.918919
85 APR 0.420635 0.918919
86 ATP A A A 0.42029 0.958333
87 CO7 0.419753 0.786517
88 3OD 0.419118 0.92
89 1ZZ 0.419118 0.841463
90 DLL 0.41791 0.958904
91 AD9 0.417323 0.92
92 NAX 0.416667 0.875
93 OVE 0.416667 0.857143
94 MYR AMP 0.416058 0.841463
95 AV2 0.415385 0.868421
96 A3P 0.414634 0.944444
97 NNR 0.414414 0.72973
98 OMR 0.413793 0.831325
99 6YZ 0.412214 0.92
100 ANP 0.410853 0.92
101 A1R 0.410448 0.860759
102 ABM 0.409836 0.893333
103 A 0.408333 0.944444
104 AMP 0.408333 0.944444
105 SON 0.408 0.933333
106 PPS 0.407692 0.829268
107 5AL 0.407692 0.932432
108 NAI 0.406897 0.909091
109 7D3 0.406504 0.857143
110 ADX 0.404762 0.829268
111 ATF 0.40458 0.907895
112 3UK 0.404412 0.945946
113 TYR AMP 0.404255 0.921053
114 AMP DBH 0.404255 0.894737
115 139 0.402685 0.875
116 50T 0.401575 0.906667
117 SRP 0.401515 0.907895
118 A A 0.40146 0.972222
119 B5V 0.40146 0.933333
120 A3R 0.4 0.860759
121 3AM 0.4 0.90411
122 B5M 0.4 0.921053
123 FA5 0.4 0.933333
Ligand no: 2; Ligand: 9RH; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 9RH 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5OCM; Ligand: 9RH; Similar sites found with APoc: 65
This union binding pocket(no: 1) in the query (biounit: 5ocm.bio3) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1H74 ILE 1.03093
2 1QV1 CZH 1.53846
3 2ART LPA AMP 1.9084
4 2BOY BHO 1.9685
5 3KFC 61X 1.97628
6 5NA1 FAD 2.06186
7 1M15 ARG 2.06186
8 1M15 ADP 2.06186
9 3EE4 MYR 2.06186
10 2BLE 5GP 2.06186
11 2P9H IPT 2.4055
12 6ECT SAM 2.4055
13 4CZG QH3 2.4055
14 4Z87 GDP 2.4055
15 2V0C LEU LMS 2.74914
16 1QXO FMN 3.09278
17 3RY9 1CA 3.2
18 1KQN NAD 3.22581
19 6FA4 GNP 4.04624
20 2ZCQ B65 4.12371
21 4ZA8 F5C 4.12371
22 4ZA8 4LU 4.12371
23 4ZA8 FZZ 4.12371
24 4W4S B29 4.12371
25 2O4J VD4 4.12371
26 4BJ8 BTN 4.7619
27 4K81 GTP 4.811
28 3DDC GNP 4.90798
29 2II3 CAO 4.96183
30 5HCV 60R 5.05837
31 3LDW ZOL 5.15464
32 5E2N V14 5.32319
33 4ZBR DIF 5.49828
34 4ZBR NPS 5.49828
35 3HX3 RET 5.49828
36 2UXI G50 5.71429
37 1PGP 6PG 5.84192
38 4EHQ GBL 6.08108
39 1JNQ EGT 6.52921
40 6D5H GNP 6.87285
41 6BVK GNP 6.87285
42 6D5M GNP 6.87285
43 6D5J GNP 6.87285
44 6BVM GNP 6.87285
45 6BVJ GNP 6.87285
46 6D5L GNP 6.87285
47 6D59 GNP 6.87285
48 6D55 GNP 6.87285
49 2QA8 GEN 7.75194
50 4U82 FPS 7.8125
51 4TUZ 36J 7.84314
52 2IZ1 RES 8.24742
53 2IZ1 ATR 8.24742
54 4HBM 0Y7 8.33333
55 1E2S CSN 9.27835
56 3VZS NAP 10.8949
57 3FAL LO2 11.9835
58 4M8E 29V 12.5541
59 5EYP LOC 13.0178
60 1MOQ GLP 13.0584
61 3OJI PYV 13.7566
62 1QXW M1C 24.6032
63 2W90 6PG 27.8351
64 3FWN 6PG 33.3333
65 3FWN ATR 33.3333
Pocket No.: 2; Query (leader) PDB : 5OCM; Ligand: NAP; Similar sites found with APoc: 879
This union binding pocket(no: 2) in the query (biounit: 5ocm.bio3) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 5FH7 5XL None
2 2BOS GLA GAL GLC NBU None
3 2BOS GLA GAL GLC None
4 3CH6 311 1.04895
5 3CH6 NAP 1.04895
6 2A92 NAI 1.37457
7 2YVF NAD 1.37457
8 2YVF FAD 1.37457
9 1BXK NAD 1.37457
10 2YVJ NAI 1.37457
11 2YVJ FAD 1.37457
12 3H8V ATP 1.37457
13 3VSV XYS 1.37457
14 1J5P NAD 1.58103
15 4EDF UPG 1.71821
16 1RYI GOA 1.71821
17 1RYI FAD 1.71821
18 3KLJ FAD 1.71821
19 2NPX NAD 1.71821
20 3RJ5 NAD 1.71821
21 3ZNN 4WL 1.71821
22 3ZNN FAD 1.71821
23 2C7G FAD 1.71821
24 4ZRN NAD 1.71821
25 4ZRN UPG 1.71821
26 2C7G ODP 1.71821
27 3CMC NAD 1.71821
28 1GAD NAD 1.71821
29 5KVS NAP 1.71821
30 2NPX FAD 1.71821
31 3H5N ATP 1.71821
32 5YJI SAH 1.76056
33 5YJI 8WO 1.76056
34 4EA7 COA 1.81818
35 4EA7 JB2 1.81818
36 3UYW TAU 1.86916
37 5ZI2 ADP 2.06186
38 1PZG A3D 2.06186
39 5ZI2 NAD 2.06186
40 4RQU NAD 2.06186
41 1E3I CXF 2.06186
42 5KKA 6V0 2.06186
43 2GSD NAD 2.06186
44 1P0F NAP 2.06186
45 5VKT NAP 2.06186
46 1GQ2 NAP 2.06186
47 5NA1 FAD 2.06186
48 2Q7V FAD 2.06186
49 1J0X NAD 2.06186
50 3NYC FAD 2.06186
51 3NYC IAR 2.06186
52 5BJX NAD 2.06186
53 5BJX UDP 2.06186
54 5NUE NAD 2.06186
55 1R6D NAD 2.06186
56 1R6D DAU 2.06186
57 1U8X NAD 2.06186
58 3K7M FAD 2.06186
59 1QMG APX 2.06186
60 2Q0L FAD 2.06186
61 2GMH FAD 2.06186
62 2IXB A2G 2.06186
63 5NUF NAD 2.06186
64 1QO8 FAD 2.06186
65 2IXB NAD 2.06186
66 1Q9I FAD 2.06186
67 1Q9I TEO 2.06186
68 1GZ6 NAI 2.06186
69 2Q1W NAD 2.06186
70 5DF1 NAP 2.06186
71 5DF1 58X 2.06186
72 1ZBQ NAD 2.06186
73 2Q0L NAP 2.06186
74 3RHJ NAP 2.06186
75 1YB5 NAP 2.06186
76 5EXK MET 2.06186
77 5YJF 8WO 2.11268
78 5YJF SAH 2.11268
79 4D42 NAP 2.12766
80 4D42 W0I 2.12766
81 5O4J PJL 2.18978
82 5O4J 9KH 2.18978
83 5O4J SAH 2.18978
84 3AB1 FAD 2.22222
85 2O07 SPD 2.30263
86 2O07 MTA 2.30263
87 3OID NDP 2.32558
88 4YCA NDP 2.4055
89 3KB6 NAD 2.4055
90 1KJ8 GAR 2.4055
91 1LLU NAD 2.4055
92 1KOL NAD 2.4055
93 2VHW NAI 2.4055
94 1GR0 NAD 2.4055
95 4TXI FAD 2.4055
96 1KEW NAD 2.4055
97 1KEW TYD 2.4055
98 5N0J FAD 2.4055
99 5BRT CH9 2.4055
100 5BRT FAD 2.4055
101 1PN0 FAD 2.4055
102 5YB7 ORN 2.4055
103 5YB7 FAD 2.4055
104 1CF2 NAP 2.4055
105 3SQP FAD 2.4055
106 1PN0 IPH 2.4055
107 1RM4 NDP 2.4055
108 3G5S FAD 2.4055
109 3OZ2 FAD 2.4055
110 3FG2 FAD 2.4055
111 4CJX NAP 2.4055
112 1W6U NAP 2.4055
113 1EK6 NAI 2.4055
114 2Q1S NAI 2.4055
115 1W8D NAP 2.4055
116 1W73 NAP 2.4055
117 1NAA ABL 2.4055
118 1NAA 6FA 2.4055
119 1EK6 UPG 2.4055
120 3ETG GLU 2.4055
121 3ETG GTP 2.4055
122 5TUK FAD 2.4055
123 3ETG NDP 2.4055
124 1I8T FAD 2.4055
125 2DM6 IMN 2.4055
126 2DM6 NAP 2.4055
127 4KOA NDP 2.4055
128 1TB4 PEJ 2.4055
129 1H9A NAP 2.4055
130 2ZB4 5OP 2.4055
131 2ZB4 NAP 2.4055
132 1N5D NDP 2.43056
133 3HB5 NAP 2.44648
134 2RH4 EMO 2.52708
135 4FC7 NAP 2.52708
136 4FC7 COA 2.52708
137 1ZEM NAD 2.67176
138 4TM3 FAD 2.7088
139 3OJF NDP 2.72374
140 3OJF IMJ 2.72374
141 1UXG FUM 2.74914
142 1UXG NAD 2.74914
143 1H2B NAJ 2.74914
144 5Z21 NAI 2.74914
145 5G3U FDA 2.74914
146 5G3U ITW 2.74914
147 5KMS NAD 2.74914
148 1PL6 NAD 2.74914
149 1PL6 572 2.74914
150 5U8U FAD 2.74914
151 1SAY PYR 2.74914
152 1V59 FAD 2.74914
153 1X7D NAD 2.74914
154 1X7D ORN 2.74914
155 5ZBC FAD 2.74914
156 5TWB FAD 2.74914
157 3L9W AMP 2.74914
158 6GAS FAD 2.74914
159 1V59 NAD 2.74914
160 3AYI FAD 2.74914
161 3AYI HCI 2.74914
162 2GVC FAD 2.74914
163 1VQW FAD 2.74914
164 2GV8 FAD 2.74914
165 4CNK FAD 2.74914
166 2VVL FAD 2.74914
167 2VVM FAD 2.74914
168 5JCM ISD 2.74914
169 5JCM NAD 2.74914
170 5JCM FAD 2.74914
171 4G5H NAP 2.74914
172 4G5H UD7 2.74914
173 4J56 FAD 2.74914
174 2RGH FAD 2.74914
175 1FEC FAD 2.74914
176 3L9W GSH 2.74914
177 5KMS FAD 2.74914
178 1RM0 NAI 2.74914
179 1RM0 D6P 2.74914
180 4RSL FAD 2.74914
181 4JJF FE9 2.74914
182 4JJF N2I 2.74914
183 2RGO FAD 2.74914
184 4Q9N NAI 2.74914
185 1RPN NDP 2.74914
186 4TQG NDP 2.74914
187 1UP7 NAD 2.74914
188 3LU1 NAD 2.74914
189 1L7E NAI 2.74914
190 2VAR AMP 2.74914
191 1A27 NAP 2.76817
192 4RDH AMP 2.77778
193 4RDI ATP 2.77778
194 1ZQ9 SAM 2.80702
195 1UZN NAP 2.83401
196 5CGE 51F 2.88809
197 4D79 ATP 2.89855
198 1TZD ADP 2.90909
199 5OOH 9ZZ 2.91262
200 5OOH NAP 2.91262
201 1UI0 URA 2.92683
202 5EW9 5VC 2.95203
203 3EJ0 11X 3.06122
204 2AE2 PTO 3.07692
205 2AE2 NAP 3.07692
206 1X1T NAD 3.07692
207 5M67 ADE 3.09278
208 5M67 NAD 3.09278
209 5M67 3D1 3.09278
210 1WPQ NAD 3.09278
211 2JHF NAD 3.09278
212 4BJZ FAD 3.09278
213 4BJZ P3A 3.09278
214 2NAD NAD 3.09278
215 5WGR FAD 3.09278
216 3LZW FAD 3.09278
217 3LZW NAP 3.09278
218 4OOE FOM 3.09278
219 4OOE NDP 3.09278
220 4JDR FAD 3.09278
221 1F8F NAD 3.09278
222 5UR0 NAD 3.09278
223 1OC2 NAD 3.09278
224 1OC2 TDX 3.09278
225 5K4W THR 3.09278
226 4HXY NDP 3.09278
227 4NTC FAD 3.09278
228 3X0V FAD 3.09278
229 5K4W NAI 3.09278
230 1ZH8 NAP 3.09278
231 1O94 ADP 3.09278
232 1DJN ADP 3.09278
233 4JNA FAD 3.09278
234 2CVQ NDP 3.09278
235 2E5V FAD 3.09278
236 2VYN NAD 3.09278
237 4Z0H NAD 3.09278
238 1Q1R FAD 3.09278
239 1VI2 NAD 3.09278
240 4DCM SAM 3.09278
241 1F8G NAD 3.125
242 1NPD NAD 3.125
243 3O26 NDP 3.21543
244 4MO2 FAD 3.26087
245 4MO2 FDA 3.26087
246 1PR9 NAP 3.27869
247 3D3W NAP 3.27869
248 4YEE 4CQ 3.33333
249 2DC1 NAD 3.38983
250 4GKV NAD 3.43643
251 1LTH NAD 3.43643
252 5X9D 80F 3.43643
253 3A06 FOM 3.43643
254 3A06 NDP 3.43643
255 1YY5 FAD 3.43643
256 5DN9 NAD 3.43643
257 1RSG FAD 3.43643
258 6AIN FAD 3.43643
259 2I3G NAP 3.43643
260 5EOW FAD 3.43643
261 4U8P UDP 3.43643
262 1BZL GCG 3.43643
263 4YKG NAD 3.43643
264 4U8P FDA 3.43643
265 4YKG FAD 3.43643
266 1F06 NDP 3.43643
267 1F06 2NP 3.43643
268 1FL2 FAD 3.43643
269 1BZL FAD 3.43643
270 5OC1 FAD 3.43643
271 1TDF NAP 3.43643
272 1WMA NDP 3.43643
273 1WMA AB3 3.43643
274 1TDF FAD 3.43643
275 5UAO FAD 3.43643
276 3AY6 NAI 3.43643
277 3AY6 BGC 3.43643
278 2C29 NAP 3.43643
279 4C3Y FAD 3.43643
280 5LD5 NAD 3.43643
281 4PIV NDP 3.43643
282 1CER NAD 3.43643
283 4C3Y ANB 3.43643
284 4M3P HCS 3.43643
285 5TCI MLI 3.43643
286 2WOX NDP 3.43643
287 2C29 DQH 3.43643
288 1QG6 NAD 3.44828
289 1QG6 TCL 3.44828
290 5B4T NAD 3.46154
291 5B4T 3HR 3.46154
292 4EVQ PHB 3.46667
293 3BMN NAP 3.47222
294 4CM9 NAP 3.47222
295 4CLR NAP 3.47222
296 3BMO NAP 3.47222
297 4CMI NAP 3.47222
298 3JQF NAP 3.47222
299 3BMQ NAP 3.47222
300 4CM4 NAP 3.47222
301 3JQ9 NAP 3.47222
302 4CM8 NAP 3.47222
303 3JQG NAP 3.47222
304 3JQA NAP 3.47222
305 3JQ8 NAP 3.47222
306 3JQ7 NAP 3.47222
307 4CLO NAP 3.47222
308 3JQB NAP 3.47222
309 4CME NAP 3.47222
310 5JCA FAD 3.52113
311 5JCA NDP 3.52113
312 2DBZ NAP 3.59281
313 5BSH PRO 3.61011
314 1LNX URI 3.7037
315 2VZ0 NAP 3.73134
316 2VZ0 D64 3.73134
317 2WD7 NAP 3.73134
318 2FZW NAD 3.78007
319 1J49 NAD 3.78007
320 5H81 NAP 3.78007
321 6BII NAP 3.78007
322 5AOV NAP 3.78007
323 1C0I BE2 3.78007
324 1C0I FAD 3.78007
325 5MIT FAD 3.78007
326 5MIT NAP 3.78007
327 3NKS FAD 3.78007
328 5MBX SP5 3.78007
329 5MBX FAD 3.78007
330 2JB2 FAD 3.78007
331 2JB2 PHE 3.78007
332 2QRK AMP 3.78007
333 3ULK NDP 3.78007
334 1WVG APR 3.78007
335 1DSS NAD 3.78007
336 4GLL NAD 3.78007
337 1GY8 NAD 3.78007
338 2B4R NAD 3.78007
339 1LVL NAD 3.78007
340 4EUE NAI 3.78007
341 2B4R AES 3.78007
342 1LVL FAD 3.78007
343 1VJT NAD 3.78007
344 2I80 G1L 3.78007
345 1KNR FAD 3.78007
346 4R78 AMP 3.78007
347 4D06 NAR 3.88693
348 1EBF NAD 3.91061
349 4XZ3 COA 3.91304
350 2G5C NAD 3.91459
351 2DKN NAI 3.92157
352 1VM6 NAD 3.94737
353 1I2B NAD 3.9604
354 1I2B UPG 3.9604
355 1I2B USQ 3.9604
356 1DRV A3D 4.0293
357 4URF NAD 4.03226
358 5Z2L NDP 4.08163
359 5N53 8NB 4.10256
360 1MV8 NAD 4.12371
361 1MUU NAD 4.12371
362 3ABI NAD 4.12371
363 1C1X NAD 4.12371
364 1EZ4 NAD 4.12371
365 1BW9 NAD 4.12371
366 1O6Z NAD 4.12371
367 5UAV NDP 4.12371
368 3FPZ AHZ 4.12371
369 1BXG NAD 4.12371
370 5UAV TFB 4.12371
371 2DKH FAD 4.12371
372 2DKH 3HB 4.12371
373 3QJ4 FAD 4.12371
374 5I39 FAD 4.12371
375 3V1Y NAD 4.12371
376 4USQ FAD 4.12371
377 5L4S 6KX 4.12371
378 5L4S NAP 4.12371
379 1ORR NAD 4.12371
380 6BWL NAD 4.12371
381 1XKQ NDP 4.12371
382 4IV9 FAD 4.12371
383 3H9E NAD 4.12371
384 1UDB NAD 4.12371
385 1UDB UFG 4.12371
386 1K3T BRZ 4.12371
387 3GDN FAD 4.12371
388 3GDN HBX 4.12371
389 4O1M NAD 4.12371
390 4IDC NDP 4.12371
391 4IDC 1XX 4.12371
392 5TC4 NAD 4.12371
393 1IG0 VIB 4.12371
394 4NZ6 DGL 4.12371
395 4W6Z 8ID 4.12371
396 5JY6 NAD 4.12371
397 3WV8 ATP 4.12844
398 1GEE NAD 4.21456
399 4XYM COA 4.34783
400 3B1J NAD 4.42478
401 3B20 NAD 4.42478
402 1NYT NAP 4.42804
403 1Z82 NDP 4.46735
404 4ZVV GN0 4.46735
405 4ZVV NAD 4.46735
406 9LDT NAD 4.46735
407 9LDB NAD 4.46735
408 2DFV NAD 4.46735
409 1A5Z NAD 4.46735
410 5O9F 9ON 4.46735
411 5O9F NAD 4.46735
412 1H82 GZZ 4.46735
413 1H82 FAD 4.46735
414 5TOW ADN 4.46735
415 5TOW NAI 4.46735
416 2FR1 NDP 4.46735
417 1GZ4 ATP 4.46735
418 1Q0H FOM 4.46735
419 1Q0H NDP 4.46735
420 2RGJ FAD 4.46735
421 5BVA FAD 4.46735
422 1O0S NAI 4.46735
423 2BD0 NAP 4.46735
424 4EIP FAD 4.46735
425 6FP4 E1T 4.46735
426 6FP4 FAD 4.46735
427 1KC7 PPR 4.46735
428 4DSG UDP 4.46735
429 4DSG FAD 4.46735
430 3C1O NAP 4.46735
431 4RPL FAD 4.46735
432 4RPL 3UC 4.46735
433 5EB4 FAD 4.46735
434 4U7W NDP 4.46735
435 2VTD LKM 4.46735
436 1Q8A HCS 4.46735
437 4EIP K2C 4.46735
438 1OBB NAD 4.46735
439 5L2M 6ZY 4.46735
440 3M89 GSP 4.46735
441 1ELI PYC 4.46735
442 5D4V SAH 4.47761
443 1C3V NDP 4.4898
444 2GDZ NAD 4.49438
445 1I36 NAP 4.54545
446 2BKA NDP 4.54545
447 1RP0 AHZ 4.57746
448 1G0N NDP 4.59364
449 1G0N PHH 4.59364
450 5OJI ISN 4.61538
451 5OJI NAP 4.61538
452 3ZZQ TRP 4.61538
453 4JK3 NAD 4.6332
454 1FK8 NAD 4.66926
455 1XCL SAH 4.68085
456 5A04 BGC 4.71976
457 5A04 NDP 4.71976
458 1KYQ NAD 4.74453
459 6CEP OXM 4.811
460 6CEP NAD 4.811
461 1HKU NAD 4.811
462 2IVD FAD 4.811
463 2XVE FAD 4.811
464 1GPE FAD 4.811
465 6AA8 NAD 4.811
466 2XVF FAD 4.811
467 2YY7 NAD 4.811
468 1E1M NAP 4.811
469 1E1M FAD 4.811
470 1SB8 NAD 4.811
471 1SB8 UD2 4.811
472 1RYD NDP 4.811
473 3EF0 ALF 4.811
474 1Z45 NAD 4.811
475 4YNU FAD 4.811
476 4YNU LGC 4.811
477 6B5G CQY 4.811
478 6B5G NAD 4.811
479 5I7A 68Q 4.811
480 3VYW SAM 4.811
481 5DNK SAH 4.811
482 4OHU 2TK 4.84429
483 4OHU NAD 4.84429
484 3QV1 NAD 4.87805
485 4CQM NAP 4.91803
486 1NM5 NAD 4.92611
487 1NM5 NAP 4.92611
488 2ZAT NAP 5
489 4J4H 1J1 5.01931
490 4J4H NAI 5.01931
491 1PJS NAD 5.03282
492 2XG5 EC2 5.04587
493 2XG5 EC5 5.04587
494 1D4D FAD 5.06993
495 1YJQ NAP 5.15464
496 1SOW NAD 5.15464
497 2Y6Q I7T 5.15464
498 2Y6Q FAD 5.15464
499 5X68 FAD 5.15464
500 5YU3 NAD 5.15464
501 5YU3 PRO 5.15464
502 4L8V NAP 5.15464
503 3WQQ IB3 5.15464
504 3WQQ NDP 5.15464
505 2CDC XYP 5.15464
506 1OMO NAD 5.15464
507 2CDC XYS 5.15464
508 4KP7 NAP 5.15464
509 2R4J FAD 5.15464
510 2R4J 13P 5.15464
511 2CDC NAP 5.15464
512 4KP7 1UQ 5.15464
513 3WGT FAD 5.15464
514 3WGT QSC 5.15464
515 1X14 NAD 5.15464
516 1U1I NAD 5.15464
517 5JWC FAD 5.15464
518 5XWV 8H6 5.15464
519 5XWV NDP 5.15464
520 5MLR GRQ 5.15464
521 5MLR NAP 5.15464
522 4BWL MN9 5.15464
523 5OVL NAP 5.15464
524 2BRY FAD 5.15464
525 2D2I NAP 5.15464
526 1LC3 NAD 5.15464
527 5X5U NAD 5.15464
528 1ZK4 NAP 5.17928
529 1ZK4 AC0 5.17928
530 1VL8 NAP 5.24345
531 5EES NAP 5.26316
532 2I7C AAT 5.30035
533 1U7T TDT 5.36398
534 1U7T NAD 5.36398
535 1E3W NAD 5.36398
536 1E6W NAD 5.38462
537 2CBZ ATP 5.48523
538 2Q2V NAD 5.4902
539 3GGO NAI 5.49828
540 3GGO ENO 5.49828
541 5Z20 NAI 5.49828
542 5Y77 FAD 5.49828
543 1V8B NAD 5.49828
544 5MZI FAD 5.49828
545 5MZI FYK 5.49828
546 5KOX FAD 5.49828
547 5KOX RFP 5.49828
548 3I6I NDP 5.49828
549 2HQM FAD 5.49828
550 3UCL NAP 5.49828
551 3UCL FAD 5.49828
552 3UCL CYH 5.49828
553 4D04 FAD 5.49828
554 4D04 NAP 5.49828
555 3E1T FAD 5.49828
556 4M52 FAD 5.49828
557 1GET NAP 5.49828
558 1GET FAD 5.49828
559 4M52 M52 5.49828
560 2A8X FAD 5.49828
561 6F9Q NAD 5.49828
562 6F97 FAD 5.49828
563 5GZ6 7C3 5.49828
564 5GZ6 NDP 5.49828
565 6EL3 NAP 5.49828
566 4TVD BGC 5.49828
567 1D7O NAD 5.49828
568 1D7O TCL 5.49828
569 3HDY FDA 5.49828
570 3HDY GDU 5.49828
571 3HDY FAD 5.49828
572 5L53 NAP 5.49828
573 2DTX BMA 5.68182
574 4MDH NAD 5.68862
575 5MDH NAD 5.70571
576 2OOR NAD 5.74713
577 1V35 NAI 5.77508
578 1OAA OAA 5.79151
579 1PGP 6PG 5.84192
580 1D1T NAD 5.84192
581 6F3M NAD 5.84192
582 6F3N NAD 5.84192
583 6F3N ADN 5.84192
584 1N1G BCP 5.84192
585 4XDY NAI 5.84192
586 1LDM NAD 5.84192
587 1R37 NAD 5.84192
588 1YS4 NAP 5.84192
589 2AQJ TRP 5.84192
590 2AQJ FAD 5.84192
591 2YYY NAP 5.84192
592 2C5A GDC 5.84192
593 2C5A NAD 5.84192
594 5L13 6ZE 5.84192
595 3IWK NAD 5.84192
596 3O03 NAP 5.84192
597 1HDG NAD 5.84192
598 4PZ2 NAD 5.84192
599 4JBI NDP 5.84192
600 3GF4 UPG 5.84192
601 5OVK NDP 5.85938
602 1AE1 NAP 5.86081
603 3QWI NAP 5.92593
604 3QWI CUE 5.92593
605 1SC6 NAD 5.94059
606 3SJ7 NDP 5.95238
607 2XVM SAH 6.03015
608 4QED NAP 6.04839
609 1G8S MET 6.08696
610 1DLJ UGA 6.18557
611 1DLJ NAI 6.18557
612 1GUZ NAD 6.18557
613 2IID FAD 6.18557
614 2IID PHE 6.18557
615 5TS5 FAD 6.18557
616 3HAD NAD 6.18557
617 2QA1 FAD 6.18557
618 1GV0 NAD 6.18557
619 3A4V NAD 6.18557
620 3A4V PYR 6.18557
621 4MIG G3F 6.18557
622 5BUK FAD 6.18557
623 2GN4 NDP 6.18557
624 2GN4 UD1 6.18557
625 4UP3 FAD 6.18557
626 1XHL NDP 6.18557
627 1N7G GDR 6.18557
628 3ORF NAD 6.18557
629 1N7G NDP 6.18557
630 4R5M 4NO 6.18557
631 4R5M NAP 6.18557
632 4AT0 FAD 6.18557
633 3L4S NAD 6.18557
634 3L4S 3PG 6.18557
635 1REO FAD 6.18557
636 4UP3 NDP 6.18557
637 5ZZ6 NAD 6.25
638 5ZZ6 ADP 6.25
639 5T9F TYR 6.27306
640 5T9F NAP 6.27306
641 5T9E NAP 6.27306
642 5FJN FAD 6.35965
643 5FJN BE2 6.35965
644 5EZ7 FAD 6.37755
645 3ZV6 4HB 6.40569
646 3ZV6 NAD 6.40569
647 4K26 SFF 6.52174
648 4K26 NDP 6.52174
649 5J5Z FAD 6.52921
650 3GFB NAD 6.52921
651 5FI3 NAP 6.52921
652 2YG3 FAD 6.52921
653 4AP3 FAD 6.52921
654 4AP3 NAP 6.52921
655 3RNM FAD 6.52921
656 6GAR FAD 6.52921
657 1PS9 FAD 6.52921
658 4REP FAD 6.52921
659 3QVP FAD 6.52921
660 1PS9 NAP 6.52921
661 5GUD NDP 6.52921
662 3OA2 NAD 6.52921
663 5GUD 2IT 6.52921
664 5GUD CIT 6.52921
665 1HDR NAD 6.55738
666 5O42 9JW 6.56934
667 5O42 BGC 6.56934
668 5O42 NAD 6.56934
669 3MMH SME 6.58683
670 3ICC NAP 6.66667
671 2CFC NAD 6.8
672 5N6C NAD 6.87285
673 4J36 1HR 6.87285
674 4J36 FAD 6.87285
675 6AM8 TRP 6.87285
676 5EJ2 NAD 6.87285
677 3O9Z AKG 6.87285
678 3O9Z NAD 6.87285
679 2B4Q NAP 6.88406
680 3AFN NAP 6.97674
681 1P77 ATR 6.98529
682 5X20 NAD 7.05128
683 2WSB NAD 7.08661
684 2Q46 NAP 7.11462
685 4ZA2 NAD 7.11462
686 3RFV NAI 7.11611
687 3RFV 15L 7.11611
688 5ODQ FAD 7.14286
689 1H5Q NAP 7.16981
690 1T26 GBD 7.2165
691 1T26 NAI 7.2165
692 1KEV NDP 7.2165
693 3LAD FAD 7.2165
694 3S5W FAD 7.2165
695 1XSE NDP 7.2165
696 5Y1G NAD 7.2165
697 5Y1G AKB 7.2165
698 3S5W NAP 7.2165
699 2ZXI FAD 7.2165
700 3V1U NAD 7.2165
701 3NTA FAD 7.2165
702 1Y1P NMN AMP PO4 7.2165
703 1P31 EPU 7.2165
704 3NT6 FAD 7.2165
705 4OPC PGT 7.28477
706 4OPC FDA 7.28477
707 6CI9 NAP 7.33591
708 1VBO MAN MAN MAN 7.38255
709 1VBO MAN 7.38255
710 1U3U NAD 7.56014
711 1U3U BNF 7.56014
712 2NVK NAP 7.56014
713 4XYB NDP 7.56014
714 2NVK FAD 7.56014
715 1E5Q NDP 7.56014
716 1X87 NAD 7.56014
717 6DNT NAD 7.56014
718 3CIF G3H 7.56014
719 3CIF NAD 7.56014
720 1NVM NAD 7.82609
721 4HA6 FAD 7.87402
722 4MOP 2H5 7.89889
723 3OJO NAD 7.90378
724 1UWK URO 7.90378
725 1UWK NAD 7.90378
726 4DPL NAP 7.90378
727 4ZCC NAI 7.90378
728 4ZCC FAD 7.90378
729 2B5W NAP 7.90378
730 4J1Q NDP 7.90378
731 1H6C SIN 7.90378
732 1E7S NAP 7.90378
733 1H6C NDP 7.90378
734 3KO8 NAD 7.90378
735 5ZYN FAD 7.90378
736 4USR FAD 7.90378
737 5MSO NAP 7.90378
738 4A0S NAP 7.90378
739 1RL4 BL5 7.97872
740 1O5I NAD 8.03213
741 2F1K NAP 8.24373
742 1HYH NAD 8.24742
743 2IZ1 ATR 8.24742
744 2O4C NAD 8.24742
745 1YQZ FAD 8.24742
746 1ZK7 FAD 8.24742
747 5IN4 GDP 8.24742
748 5IN4 6CK 8.24742
749 5IN4 NAP 8.24742
750 1NNU TCT 8.29694
751 1NNU NAD 8.29694
752 4II2 ATP 8.43373
753 2CDU FAD 8.59107
754 2CDU ADP 8.59107
755 1JNR FAD 8.66667
756 3H4V NAP 8.68056
757 3H4V DVP 8.68056
758 1NVT NAP 8.7108
759 5L95 AMP 8.75
760 5A1T NAI 8.79765
761 5A1T OXM 8.79765
762 2PV7 NAD 8.93471
763 1VKO NAD 8.93471
764 3IHG FAD 8.93471
765 3F8D FAD 8.93471
766 5CAE SIN 8.94569
767 5CAE COA 8.94569
768 3K5I AIR 9.18114
769 3VPH NAD 9.27835
770 3VPH OXM 9.27835
771 1YKF NAP 9.27835
772 1YKJ PHB 9.27835
773 1YKJ FAD 9.27835
774 2GZ3 NAP 9.27835
775 5TUF FAD 9.27835
776 5TUF TDC 9.27835
777 1GTE FAD 9.27835
778 3BOF HCS 9.27835
779 5E9W SAH 9.27835
780 5E8J SAH 9.27835
781 3NTD FAD 9.27835
782 1LSS NAD 9.28571
783 3B1F NAD 9.31034
784 1Z0N BCD 9.375
785 6B74 BEN 9.46502
786 1LDN NAD 9.62199
787 3NJ4 NAD 9.62199
788 3NJ4 AFX 9.62199
789 1MO9 FAD 9.62199
790 4EMI NAD 9.62199
791 3TWO NDP 9.62199
792 4EMJ FAD 9.62199
793 4EMI FAD 9.62199
794 2PZM NAD 9.62199
795 2PZM UDP 9.62199
796 1MO9 KPC 9.62199
797 2EXX NAP 9.62199
798 5YRJ BGC GLC 9.85915
799 1LJ8 NAD 9.96564
800 1M2W NAD 9.96564
801 4KQW NAP 9.96564
802 1NFQ NAI 10
803 3AD8 NAD 10.101
804 3AD8 FAD 10.101
805 3AD8 PYC 10.101
806 2WPF WPF 10.3093
807 2WPF FAD 10.3093
808 3DAG FEG 10.3093
809 3OND NAD 10.6529
810 3OND ADN 10.6529
811 2NU8 COA 10.6529
812 3ITJ CIT 10.6529
813 2GCG NDP 10.6529
814 6A0S HSE 10.6529
815 6A0S NDP 10.6529
816 3ITJ FAD 10.6529
817 5AYV KPL 10.6796
818 5AYV NAP 10.6796
819 2VT3 ATP 10.6977
820 1LUA NAP 10.8014
821 3VZS NAP 10.8949
822 3VZS CAA 10.8949
823 5YEC ATP 10.9244
824 1E6E FAD 10.9375
825 3WBF NAP 10.9966
826 3WBF API 10.9966
827 1XXR MAN 11.1801
828 5E4R NAP 11.3402
829 4XDZ NDP 11.3402
830 2EV9 NAP 11.4068
831 2EV9 SKM 11.4068
832 4J7U YTZ 11.4583
833 4J7U NAP 11.4583
834 3WXB NDP 11.4695
835 2ZJ1 ARJ 11.6838
836 2ZJ1 NAD 11.6838
837 3WLE NAD 11.6838
838 1RKX NAD 11.6838
839 1Z6Z NAP 11.7021
840 4MP8 NAD 12.0275
841 4MP8 MLI 12.0275
842 4YSX FAD 12.0567
843 3QFA FAD 12.069
844 4TSK NDP 12.3711
845 5W3K NDP 12.7148
846 5W3K 9TY 12.7148
847 5HSA FAS 13.0584
848 2AHR NAP 13.5135
849 1CDO NAD 13.7457
850 3NUG NAD 13.7652
851 3BAZ NAP 14.433
852 2DT5 NAD 14.6919
853 1HYE NAP 14.7766
854 1V6A TRE 15.4639
855 6F5U CQN 15.4639
856 4BVA NDP 15.8209
857 4BVA T3 15.8209
858 1GEG NAD 16.0156
859 1WDK NAD 17.5258
860 1FWV SGA MAG FUC 17.9104
861 2HMT NAI 18.0556
862 4XQC 13D 18.5567
863 4XQC NAD 18.5567
864 1YQD NAP 18.9003
865 4NBT NAD 19.5833
866 3Q3C NAD 19.7324
867 5Y8L HUI 20
868 5Y8L NAD 20
869 2F5Z FAD 20.3125
870 5EIN NAP 20.3704
871 5N2I NAP 21.9828
872 5JE8 NAD 21.9931
873 1VDC FAD 24.3986
874 1JAY NAP 25.9434
875 2CVZ NDP 25.9516
876 1WP4 NDP 26.9896
877 2HK9 NAP 27.2727
878 2HK9 ATR 27.2727
879 3FWN ATR 33.3333
Pocket No.: 3; Query (leader) PDB : 5OCM; Ligand: NAP; Similar sites found with APoc: 19
This union binding pocket(no: 3) in the query (biounit: 5ocm.bio3) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 3UVD MB3 None
2 3WBZ ATP 1.10701
3 2J5V PCA 2.06186
4 5G6U TRP 2.29885
5 2Q3M MLA 2.4055
6 3HAZ NAD 2.74914
7 1TD2 PXL 3.13589
8 5OC1 ANN 3.43643
9 5OFW 9TW 3.58744
10 2WD7 VGD 3.73134
11 3DDN HPV 3.78007
12 3HQP FDP 4.12371
13 2PT9 2MH 4.6729
14 3OIG NAD 4.88722
15 5TQZ GLC 5.33333
16 1COY FAD 6.52921
17 4B4U NAP 7.26073
18 1DQN IMU 8.69565
19 2DUR MAN MAN 10.6719
Pocket No.: 4; Query (leader) PDB : 5OCM; Ligand: 9RH; Similar sites found with APoc: 10
This union binding pocket(no: 4) in the query (biounit: 5ocm.bio3) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1H74 ADP 1.03093
2 2E5A LAQ 1.71821
3 1HG4 LPP 2.86738
4 5ZEC NAP 5.15464
5 3G5N PB2 5.84192
6 1NVV GNP 6.87285
7 5WRE 7TL 10.9677
8 4POJ 2VP 12.5541
9 1NHZ 486 12.8571
10 2OFW ADX 12.9808
Pocket No.: 5; Query (leader) PDB : 5OCM; Ligand: 9RH; Similar sites found with APoc: 8
This union binding pocket(no: 5) in the query (biounit: 5ocm.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5L7G 6QE 2.06186
2 3WCA FPS 3.09278
3 6ESN BWE 4.49438
4 2C5L GTP 4.811
5 3O9L LPN 5.68182
6 4WT2 3UD 5.71429
7 4ITH RCM 5.84192
8 6D5V GNP 6.87285
Pocket No.: 6; Query (leader) PDB : 5OCM; Ligand: NAP; Similar sites found with APoc: 41
This union binding pocket(no: 6) in the query (biounit: 5ocm.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4IF4 BEF 0.961538
2 6EGU 43Y 1.37457
3 1JQ3 AAT 1.71821
4 1EQ2 NAP 1.71821
5 5KVS 6XR 1.71821
6 4D5G FAD 2.06186
7 4D5G TPP 2.06186
8 2JBH 5GP 2.22222
9 4DMG SAM 2.4055
10 4L8F MTX 2.74914
11 3MYZ TFX 3
12 5XHA FRU 3.09278
13 1VKF CIT 3.19149
14 3EGI ADP 3.39806
15 3SSO SAH 3.43643
16 2AOT SAH 3.78007
17 4YUW S4M 3.78007
18 4YUW 4JU 3.78007
19 1Y8Q ATP 4.04624
20 3QDV A2G 4.1958
21 3QDW A2G 4.1958
22 2X6T NAP 4.48179
23 2PT9 S4M 4.6729
24 3NGL NAP 4.71014
25 1QH9 LAC 4.74138
26 3VSE SAH 4.811
27 2RBK VN4 5.36398
28 5WP5 SAH 5.49828
29 2GLX NDP 5.49828
30 1P1C SAH 5.52764
31 2OFD NGA 5.6338
32 5AHO TLA 5.65476
33 2VDV SAM 5.69106
34 1YQT ADP 5.84192
35 3GF4 FAD 5.84192
36 2D5A COA 6.25
37 5DOZ NDP 7.2165
38 3T0X DIW 8.13008
39 5KF6 NAD 8.93471
40 1Q7B NAP 10.2459
41 2J8R MSL 12.2093
Pocket No.: 7; Query (leader) PDB : 5OCM; Ligand: 9RH; Similar sites found with APoc: 34
This union binding pocket(no: 7) in the query (biounit: 5ocm.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1QSM ACO 1.97368
2 3R1V AZB 2.3622
3 4FC7 NAP 2.52708
4 4FC7 COA 2.52708
5 1UKZ AMP 2.95567
6 1UKZ ADP 2.95567
7 4X60 SFG 3.09278
8 4X60 3XV 3.09278
9 4EUU BX7 3.1348
10 5WKC FAD 3.43643
11