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Receptor
PDB id Resolution Class Description Source Keywords
3BMN 1.98 Å EC: 1.5.1.33 STRUCTURE OF PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA B TERNARY COMPLEX WITH COFACTOR (NADP+) AND INHIBITOR (COMPOU TRYPANOSOMA BRUCEI BRUCEI PTERIDINE REDUCTASE PTR1 TRYPANOSOMA BRUCEI SHORT CHAIN DEHYDROGENASE INHIBITOR OXIDOREDUCTASE
Ref.: STRUCTURE-BASED DESIGN OF PTERIDINE REDUCTASE INHIB TARGETING AFRICAN SLEEPING SICKNESS AND THE LEISHMA J.MED.CHEM. V. 53 221 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT D:269;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
AX3 A:270;
B:270;
C:270;
D:271;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Ki > 35 uM
166.184 C6 H10 N6 C1CC1...
EDO C:271;
D:272;
D:273;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GOL A:271;
A:272;
A:273;
B:271;
C:272;
D:274;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NAP A:269;
B:269;
C:269;
D:270;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3BMN 1.98 Å EC: 1.5.1.33 STRUCTURE OF PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA B TERNARY COMPLEX WITH COFACTOR (NADP+) AND INHIBITOR (COMPOU TRYPANOSOMA BRUCEI BRUCEI PTERIDINE REDUCTASE PTR1 TRYPANOSOMA BRUCEI SHORT CHAIN DEHYDROGENASE INHIBITOR OXIDOREDUCTASE
Ref.: STRUCTURE-BASED DESIGN OF PTERIDINE REDUCTASE INHIB TARGETING AFRICAN SLEEPING SICKNESS AND THE LEISHMA J.MED.CHEM. V. 53 221 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 3BMN Ki > 35 uM AX3 C6 H10 N6 C1CC1Nc2nc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 3BMN Ki > 35 uM AX3 C6 H10 N6 C1CC1Nc2nc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 3BMN Ki > 35 uM AX3 C6 H10 N6 C1CC1Nc2nc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AX3; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AX3 1 1
Ligand no: 2; 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3BMN; Ligand: AX3; Similar sites found with APoc: 33
This union binding pocket(no: 1) in the query (biounit: 3bmn.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 1YRB GDP 1.9084
2 1GNY XYP XYP XYP XYP XYP 1.96078
3 1V9N NDP 2.43056
4 1ZPT FAD 2.43056
5 1KZN CBN 2.43902
6 2NLI LAC 2.77778
7 2NLI FMN 2.77778
8 3A4V PYR 3.125
9 1RZU ADP 3.47222
10 3D91 REM 4.16667
11 1SOX MTE 4.16667
12 5ZEC NAP 4.16667
13 4PVD NDP 4.86111
14 1T5B FMN 4.97512
15 4B5P ACO 5.5
16 2FHK MFN 5.55556
17 2C29 NAP 5.90278
18 1T7Q COA 7.29167
19 1T7Q 152 7.29167
20 4U7W NDP 7.98611
21 6ASZ GLN THR ALA ARG M3L SER 8.69565
22 4HKP 16B 9.02778
23 3QBT GNP 9.1954
24 4W9H 3JF 9.27835
25 4W9F 3JU 9.27835
26 4BKS X6C 9.27835
27 5NVX 4YY 9.27835
28 3GZ8 APR 10.4938
29 1Z4O GL1 10.7639
30 2PZM NAD 11.8056
31 2PZM UDP 11.8056
32 2Q1W NAD 12.5
33 1XSE NDP 21.6949
Pocket No.: 2; Query (leader) PDB : 3BMN; Ligand: AX3; Similar sites found with APoc: 69
This union binding pocket(no: 2) in the query (biounit: 3bmn.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1F9A ATP None
2 1BC5 SAH 1.48699
3 2QZZ NAP 1.73611
4 2QZZ EMF 1.73611
5 1UF5 CDT 1.73611
6 3T1A 5MA 1.7762
7 4AVB CMP 2.08333
8 2WPX ACO 2.43056
9 4KCF FMN 2.43056
10 2CHG ANP 2.65487
11 2ORV 4TA 2.99145
12 5BOE PEP 3.125
13 4WQM FAD 3.47222
14 2XCG XCG 3.47222
15 5OGX FAD 3.81944
16 1M5W DXP 4.11523
17 1EK0 GNP 4.11765
18 6ER9 FAD 4.16667
19 3LOO B4P 4.16667
20 6C4N NAP 4.16667
21 2AQX ATP 4.16667
22 1XPM CAA 4.16667
23 1XPM HMG 4.16667
24 2RIF AMP 4.25532
25 1GS5 NLG 4.26357
26 1GS5 ANP 4.26357
27 1WY7 SAH 4.34783
28 4RVU NDP 4.51389
29 1S4M LUM 4.51389
30 3UXL CFI 4.51389
31 1TLL FAD 4.51389
32 4Y9D NAI 4.51389
33 1W4R TTP 4.61538
34 3E8N ATP 4.86111
35 3E8N VRA 4.86111
36 1GP6 QUE 5.20833
37 4PLT OXM 5.43807
38 1F20 FAD 5.55556
39 3SIX GDP 5.55556
40 5ZFJ 9BF 5.72687
41 2QRD ATP 5.90278
42 3W2E NAD 5.90406
43 3W2E FAD 5.90406
44 2Z3U CRR 6.25
45 2Y8L ADP 6.59722
46 2Q8Z NUP 6.59722
47 4P5Z Q7M 6.59722
48 2XQQ SAC ARG GLY THR GLN THR GLU 6.74157
49 5L0S UDP 7.14286
50 4B7X NAP 7.29167
51 6HTO MET 7.63889
52 6HTO 5AD 7.63889
53 4USF 6UI 7.89474
54 1VLH PNS 8.09249
55 5BSR AMP 9.02778
56 4GKV NAD 9.375
57 5L0U 660 9.52381
58 1PN4 HDC 10.4167
59 4R1S NAP 10.7639
60 3V91 UPG 12.8472
61 1KYV RBF 13.8365
62 1WPQ NAD 14.2361
63 5FA6 FMN 15.625
64 1W8D NAP 37.7483
65 6CI9 NAP 45.9459
66 2EWM NAD 46.988
67 1ZK4 AC0 47.4104
68 1ZK4 NAP 47.4104
69 5FFF NAP 47.8599
Pocket No.: 3; Query (leader) PDB : 3BMN; Ligand: NAP; Similar sites found with APoc: 768
This union binding pocket(no: 3) in the query (biounit: 3bmn.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 2WPB ZZI 1.04167
2 4BWL MN9 1.04167
3 5TWB FAD 1.04167
4 3GU3 SAH 1.05634
5 4XUC SAM 1.37615
6 4XUC 43G 1.37615
7 1ZGA SAH 1.38889
8 2IXB A2G 1.38889
9 5E8J SAH 1.38889
10 2IXB NAD 1.38889
11 5E9W SAH 1.38889
12 1NYT NAP 1.47601
13 5D4V SAH 1.49254
14 5ULP KB1 1.49254
15 2D7I UDP 1.73611
16 6A0S HSE 1.73611
17 6A0S NDP 1.73611
18 5AYV NAP 1.73611
19 2QZZ EMF 1.73611
20 2QZZ NAP 1.73611
21 5OC1 FAD 1.73611
22 4DSG FAD 1.73611
23 4DSG UDP 1.73611
24 2G5C NAD 1.77936
25 5WHU SIA 2.01342
26 3B1F NAD 2.08333
27 5F5N NAD 2.08333
28 4XB2 NDP 2.08333
29 6FLZ MMA 2.08333
30 2YVJ NAI 2.08333
31 3I6I NDP 2.08333
32 1HYH NAD 2.08333
33 1KYZ SAH 2.08333
34 3E1T FAD 2.08333
35 2CDU ADP 2.08333
36 1FUR MLT 2.08333
37 3T31 FAD 2.08333
38 3T31 DCQ 2.08333
39 2O4C NAD 2.08333
40 3WQQ NDP 2.08333
41 3WQQ IB3 2.08333
42 4XB2 HSE 2.08333
43 3CMC NAD 2.08333
44 1VKO NAD 2.08333
45 2CDU FAD 2.08333
46 3NYC IAR 2.08333
47 3NYC FAD 2.08333
48 5JE8 NAD 2.08333
49 4KP7 NAP 2.08333
50 4KP7 1UQ 2.08333
51 2JL1 NAP 2.09059
52 3A4T SFG 2.18978
53 5I39 FAD 2.20588
54 3HVJ 705 2.26244
55 3VKX T3 2.29885
56 2YY7 NAD 2.43056
57 4ZVV GN0 2.43056
58 4ZVV NAD 2.43056
59 1PJS NAD 2.43056
60 1WVG APR 2.43056
61 1V6A TRE 2.43056
62 1O6Z NAD 2.43056
63 9LDT NAD 2.43056
64 9LDB NAD 2.43056
65 6CEP NAD 2.43056
66 1U1I NAD 2.43056
67 6CEP OXM 2.43056
68 2ZJ1 ARJ 2.43056
69 2Q7V FAD 2.43056
70 4OOE FOM 2.43056
71 2ZJ1 NAD 2.43056
72 4OOE NDP 2.43056
73 5CAE SIN 2.43056
74 1GPE FAD 2.43056
75 5EZ7 FAD 2.43056
76 3CGD COA 2.43056
77 3RNM FAD 2.43056
78 5HXI FAD 2.43056
79 3CGD NAD 2.43056
80 3CGD FAD 2.43056
81 5HXI 5HN 2.43056
82 1E3I CXF 2.43056
83 3CGB FAD 2.43056
84 3B20 NAD 2.43056
85 3B1J NAD 2.43056
86 3OZ2 FAD 2.43056
87 4DPL NAP 2.43056
88 1HDG NAD 2.43056
89 5CAE COA 2.43056
90 6F97 FAD 2.43056
91 3GMB FAD 2.43056
92 1GQ2 NAP 2.43056
93 1PN0 FAD 2.43056
94 2VVL FAD 2.43056
95 1PN0 IPH 2.43056
96 2VVM FAD 2.43056
97 4AVV GHE 2.45098
98 4AVV CD 2.45098
99 2F1K NAP 2.50896
100 5Z21 NAI 2.51397
101 4D79 ATP 2.53623
102 3CBG SAH 2.58621
103 3W9F I3P 2.69231
104 3MB5 SAM 2.7451
105 4GLL NAD 2.77778
106 1KEW NAD 2.77778
107 1KEW TYD 2.77778
108 1F8G NAD 2.77778
109 2DFV NAD 2.77778
110 4OPC PGT 2.77778
111 4OPC FDA 2.77778
112 1UWK NAD 2.77778
113 1UWK URO 2.77778
114 1UP7 NAD 2.77778
115 5H81 NAP 2.77778
116 3L9W AMP 2.77778
117 1X87 NAD 2.77778
118 6FDF SAH 2.77778
119 1OMO NAD 2.77778
120 2Z3Y F2N 2.77778
121 3SUC ATP 2.77778
122 1LLU NAD 2.77778
123 1H2B NAJ 2.77778
124 4CIB 7UZ 2.77778
125 3L9W GSH 2.77778
126 4TQG NDP 2.78638
127 5YRG BGC GLC 2.8169
128 5YRF GLC GLC 2.8169
129 3EGI ADP 2.91262
130 2DC1 NAD 2.9661
131 5X68 FAD 3.06905
132 5N5D SAM 3.09735
133 3C1O NAP 3.11526
134 3A4V PYR 3.125
135 3A4V NAD 3.125
136 2VHW NAI 3.125
137 1H9A NAP 3.125
138 1MV8 NAD 3.125
139 2C7G FAD 3.125
140 2C7G ODP 3.125
141 4LHD GLY 3.125
142 1BXG NAD 3.125
143 2JHP SAH 3.125
144 4DFU QUE 3.125
145 1TKE SER 3.125
146 1NVM NAD 3.125
147 4BHL ARG 3.125
148 5MPT SAH 3.125
149 2IF8 ADP 3.125
150 1J5P NAD 3.16206
151 1I2B UPG 3.21782
152 1I2B USQ 3.21782
153 1I2B NAD 3.21782
154 4NYT PC 3.22581
155 5U5N NAD 3.22581
156 2VT3 ATP 3.25581
157 1SW1 PBE 3.27273
158 4CNK FAD 3.32481
159 1PL6 NAD 3.47222
160 3ICS ADP 3.47222
161 3ICT ADP 3.47222
162 5OCM NAP 3.47222
163 5BUK FAD 3.47222
164 5BVA FAD 3.47222
165 3H5N ATP 3.47222
166 2P41 SAH 3.47222
167 1E1M NAP 3.47222
168 1E1M FAD 3.47222
169 1CER NAD 3.47222
170 1PL6 572 3.47222
171 1REO FAD 3.47222
172 1RSG FAD 3.47222
173 1YY5 FAD 3.47222
174 2E5V FAD 3.47222
175 5K0A FAD 3.47222
176 5YAK FMN 3.47222
177 3EVG SAH 3.63636
178 1BXK NAD 3.81944
179 5NUF NAD 3.81944
180 5YEC ATP 3.81944
181 1LTH NAD 3.81944
182 5NUE NAD 3.81944
183 5LD5 NAD 3.81944
184 1R6D NAD 3.81944
185 4RQU NAD 3.81944
186 4AP3 FAD 3.81944
187 4AP3 NAP 3.81944
188 4OM8 NAD 3.81944
189 1R6D DAU 3.81944
190 1V59 NAD 3.81944
191 1T10 F6P 3.81944
192 1V59 FAD 3.81944
193 1GR0 NAD 3.81944
194 5X9D 80F 3.81944
195 5J5Z FAD 3.81944
196 5KZD RCJ 3.81944
197 2PT9 2MH 3.81944
198 4MIG G3F 3.81944
199 5BRT FAD 3.81944
200 5BRT CH9 3.81944
201 1GZ4 ATP 3.81944
202 5TS5 FAD 3.81944
203 2HQM FAD 3.81944
204 2I7C AAT 3.88693
205 3KYF 5GP 5GP 3.8961
206 1E6E FAD 3.90625
207 6GAS FAD 3.92749
208 1R18 SAH 3.96476
209 3DUW SAH 4.03587
210 1P77 ATR 4.04412
211 6AR9 3L4 4.04412
212 4AML GYU 4.09357
213 5CUQ NSC 4.11985
214 5ZEC NAP 4.16667
215 2FR1 NDP 4.16667
216 5MSO NAP 4.16667
217 1N7G NDP 4.16667
218 1N7G GDR 4.16667
219 5KKA 6V0 4.16667
220 3VPH NAD 4.16667
221 6BII NAP 4.16667
222 3VPH OXM 4.16667
223 6C4N NAP 4.16667
224 5Z20 NAI 4.16667
225 1GET NAP 4.16667
226 3KB6 NAD 4.16667
227 3SQP FAD 4.16667
228 5U5G NAP 4.16667
229 3FPZ AHZ 4.16667
230 2B5W NAP 4.16667
231 2RAB NAD 4.16667
232 2RAB FAD 4.16667
233 1SC6 NAD 4.16667
234 5A04 BGC 4.16667
235 4M52 FAD 4.16667
236 5A04 NDP 4.16667
237 2A8X FAD 4.16667
238 2FWP ICR 4.37158
239 4PIV NDP 4.39394
240 5A1T NAI 4.51389
241 5A1T OXM 4.51389
242 3ABI NAD 4.51389
243 1WDK NAD 4.51389
244 2GZ3 NAP 4.51389
245 2C5A GDC 4.51389
246 2C5A NAD 4.51389
247 3TTM PUT 4.51389
248 4Y9D NAI 4.51389
249 5ZI2 NAD 4.51389
250 6AIN FAD 4.51389
251 4L8V NAP 4.51389
252 1LDM NAD 4.51389
253 5ZI2 ADP 4.51389
254 1SAY PYR 4.51389
255 2BRY FAD 4.51389
256 3NKS FAD 4.51389
257 4RSL FAD 4.51389
258 3X01 AMP 4.51389
259 3O7W SAM 4.51389
260 4R5M NAP 4.51389
261 4TXI FAD 4.51389
262 5X20 NAD 4.51389
263 5VN0 FAD 4.51389
264 1JNR FAD 4.66667
265 4PVD NDP 4.86111
266 5OJL TXP 4.86111
267 3V1Y NAD 4.86111
268 3LZW FAD 4.86111
269 3LZW NAP 4.86111
270 3NJ4 AFX 4.86111
271 1J0X NAD 4.86111
272 3NJ4 NAD 4.86111
273 1HKU NAD 4.86111
274 2NU8 COA 4.86111
275 1P31 EPU 4.86111
276 1MUU NAD 4.86111
277 2JB2 PHE 4.86111
278 2JB2 FAD 4.86111
279 3TTN SPD 4.86111
280 3ZNN 4WL 4.86111
281 3ZNN FAD 4.86111
282 3RFV NAI 4.86891
283 3RFV 15L 4.86891
284 1H82 GZZ 4.87288
285 1H82 FAD 4.87288
286 1APZ ASP 4.96454
287 1EJ0 SAM 5
288 3R51 MMA 5
289 1WMA AB3 5.07246
290 1WMA NDP 5.07246
291 3QX9 ATP 5.07246
292 5K4W NAI 5.20833
293 1GV0 NAD 5.20833
294 5K4W THR 5.20833
295 3HQ9 OXL 5.20833
296 5AOV NAP 5.20833
297 4PLG NAI 5.20833
298 4PLG OXM 5.20833
299 5JJR SAH 5.20833
300 1YQZ FAD 5.20833
301 2B4R NAD 5.20833
302 5JCA NDP 5.20833
303 5JCA FAD 5.20833
304 2B4R AES 5.20833
305 3LAD FAD 5.20833
306 5IN4 6CK 5.21978
307 5IN4 GDP 5.21978
308 5IN4 NAP 5.21978
309 2YG3 FAD 5.29801
310 5L95 AMP 5.37634
311 4PLT NAI 5.43807
312 4PLT OXM 5.43807
313 3WV8 ATP 5.50459
314 3KO8 NAD 5.55556
315 1GUZ NAD 5.55556
316 1UDB UFG 5.55556
317 1UDB NAD 5.55556
318 1DKU AP2 5.55556
319 5AHO TLA 5.55556
320 5KOX FAD 5.55556
321 5KOX RFP 5.55556
322 1BW9 NAD 5.55556
323 5JAQ NAI 5.55556
324 2QA1 FAD 5.55556
325 1C1X NAD 5.55556
326 2I3G NAP 5.55556
327 6D6Y SAH 5.55556
328 5WGR FAD 5.55556
329 2IVD FAD 5.55556
330 5U8U FAD 5.55556
331 6F7L FAD 5.55556
332 3G5S FAD 5.55556
333 4W6Z 8ID 5.55556
334 1X7D NAD 5.55556
335 2IID FAD 5.55556
336 2IID PHE 5.55556
337 3WGT FAD 5.55556
338 1L7E NAI 5.55556
339 1X7D ORN 5.55556
340 1RYI GOA 5.55556
341 3GLC R5P 5.55556
342 3WGT QSC 5.55556
343 1RYI FAD 5.55556
344 1LUA NAP 5.57491
345 1RM4 NDP 5.63798
346 4CJX NAP 5.64263
347 4KOA NDP 5.70571
348 1LSS NAD 5.71429
349 1XHC FAD 5.72207
350 2BKA NDP 5.78512
351 5V6F MAN BMA MAN 5.7971
352 4XQC 13D 5.89474
353 4XQC NAD 5.89474
354 4HXY NDP 5.90278
355 1RKX NAD 5.90278
356 2V6G NAP 5.90278
357 2C29 NAP 5.90278
358 2C29 DQH 5.90278
359 2CVQ NDP 5.90278
360 1YKJ FAD 5.90278
361 1YKJ PHB 5.90278
362 1WP4 NDP 5.90278
363 2QRK AMP 5.90278
364 1RM0 D6P 5.90278
365 1RM0 NAI 5.90278
366 3H9E NAD 5.90278
367 2CVZ NDP 5.90278
368 5AJP UDP 5.90278
369 2RGJ FAD 5.90278
370 4WNP 3RJ 5.92335
371 1F8F NAD 5.92992
372 5GLT BGC GAL NAG GAL 5.98592
373 3G2O SAM 6.02007
374 3FSY SCA 6.0241
375 2JHF NAD 6.14973
376 2WA2 SAM 6.15942
377 3LU1 NAD 6.25
378 5MLR GRQ 6.25
379 5MLR NAP 6.25
380 1SB8 NAD 6.25
381 4ZGS NAD 6.25
382 1SB8 UD2 6.25
383 3OJO NAD 6.25
384 1X14 NAD 6.25
385 3O9Z AKG 6.25
386 3O9Z NAD 6.25
387 6C4T NA7 6.25
388 2DKH FAD 6.25
389 1PZG A3D 6.25
390 6FHO FAD 6.25
391 5G3U FDA 6.25
392 5G3U ITW 6.25
393 2DKH 3HB 6.25
394 1Q0H NDP 6.25
395 1Q0H FOM 6.25
396 4IV9 FAD 6.25
397 3OND NAD 6.25
398 3OND ADN 6.25
399 5HSA FAS 6.25
400 4D04 FAD 6.25
401 4D04 NAP 6.25
402 5N0J FAD 6.25
403 1ZQ9 SAM 6.31579
404 3JWH SAH 6.45161
405 1OC2 TDX 6.59722
406 1OC2 NAD 6.59722
407 3AB1 FAD 6.59722
408 1GTE FAD 6.59722
409 1DJN ADP 6.59722
410 1EZ4 NAD 6.59722
411 3AXB FAD 6.59722
412 1JQ3 AAT 6.59722
413 1O94 ADP 6.59722
414 3AXB PRO 6.59722
415 1GPM AMP 6.59722
416 1O0S NAI 6.59722
417 2AJH MET 6.63265
418 5T9F TYR 6.64207
419 5T9F NAP 6.64207
420 5T9E NAP 6.64207
421 1B8U NAD 6.68693
422 1B8U OAA 6.68693
423 1KYQ NAD 6.93431
424 4ZRN NAD 6.94444
425 4ZRN UPG 6.94444
426 1RPN NDP 6.94444
427 2HJR APR 6.94444
428 2PK3 A2R 6.94444
429 1T26 GBD 6.94444
430 1T26 NAI 6.94444
431 2A92 NAI 6.94444
432 3UOY FAD 6.94444
433 3UOY NAP 6.94444
434 5MIT FAD 6.94444
435 5MIT NAP 6.94444
436 5ERG SAM 6.94444
437 5M67 3D1 6.94444
438 5M67 NAD 6.94444
439 5M67 ADE 6.94444
440 2DT5 NAD 7.109
441 2DBZ NAP 7.18563
442 1LDN NAD 7.29167
443 5XNC MTA 7.29167
444 5YB7 FAD 7.29167
445 5YB7 ORN 7.29167
446 1UXG NAD 7.29167
447 1UXG FUM 7.29167
448 1KJ8 GAR 7.29167
449 5XVH NAP 7.29167
450 4MOP 2H5 7.29167
451 5KVS NAP 7.29167
452 4JNA FAD 7.29167
453 2CUL FAD 7.32759
454 4JK3 NAD 7.33591
455 4J4H NAI 7.33591
456 4J4H 1J1 7.33591
457 1OMZ UD2 7.50853
458 3RGG AIR 7.54717
459 1TZD ADP 7.63636
460 4J1Q NDP 7.63889
461 4EUE NAI 7.63889
462 1EBF NAD 7.63889
463 5UR0 NAD 7.63889
464 5N2I NAP 7.63889
465 6A3J NAI 7.63889
466 2GKS ADP 7.63889
467 4NEC SAH 7.95455
468 4U7W NDP 7.98611
469 1D7O TCL 7.98611
470 1D7O NAD 7.98611
471 5XWV NDP 7.98611
472 5XWV 8H6 7.98611
473 5DF1 NAP 7.98611
474 5DF1 58X 7.98611
475 5MZI FAD 7.98611
476 5MZI FYK 7.98611
477 3BAZ NAP 7.98611
478 5Y77 FAD 7.98611
479 4NMC 2OP 7.98611
480 5KMS NAD 7.98611
481 5KTI TRE 6X6 8.05369
482 3GCZ SAM 8.15603
483 2D2I NAP 8.1579
484 2XYQ SAH 8.19672
485 3KLJ FAD 8.31169
486 1Z45 NAD 8.33333
487 1GY8 NAD 8.33333
488 1EQ2 NAP 8.33333
489 5BJX NAD 8.33333
490 5BJX UDP 8.33333
491 1U8X NAD 8.33333
492 1CF2 NAP 8.33333
493 4NTC FAD 8.33333
494 1SOW NAD 8.53659
495 1DCP HBI 8.65385
496 6BWL NAD 8.68056
497 1RJW ETF 8.68056
498 1V35 NAI 8.68056
499 2PV7 NAD 8.68056
500 1RP0 AHZ 8.68056
501 1EK6 NAI 9.02778
502 1EK6 UPG 9.02778
503 3OA2 NAD 9.02778
504 2UYQ SAM 9.02778
505 4CJN QNZ 9.02778
506 5JY6 NAD 9.02778
507 6DNT NAD 9.375
508 3H8V ATP 9.375
509 5MDH NAD 9.375
510 4MDH NAD 9.375
511 1E5Q NDP 9.375
512 4GKV NAD 9.375
513 4E13 NAD 9.54064
514 1VM6 NAD 9.64912
515 2GN4 UD1 9.72222
516 2GN4 NDP 9.72222
517 5N6C NAD 9.72222
518 3CIF NAD 9.72222
519 6GAR FAD 9.72222
520 4YRY FAD 9.72222
521 3CIF G3H 9.72222
522 3ORF NAD 9.96016
523 2GAG NAD 10
524 1ORR NAD 10.0694
525 1TI7 NAP 10.0694
526 2VUT NAD 10.0694
527 5J60 FAD 10.0694
528 1YS4 NAP 10.0694
529 5ZZ6 NAD 10.0962
530 5ZZ6 ADP 10.0962
531 5X2N ALA 10.1382
532 1A5Z NAD 10.3448
533 3AD8 NAD 10.3448
534 4X9M FAD 10.4167
535 5J32 IPM 10.4167
536 3EJ0 11X 10.7143
537 4R1S NAP 10.7639
538 6EL3 NAP 10.7639
539 4YSX FAD 10.8974
540 2Q1S NAI 11.1111
541 3GFB NAD 11.1111
542 1FP1 SAH 11.1111
543 5UAV TFB 11.1111
544 2R4J FAD 11.1111
545 2R4J 13P 11.1111
546 5UAV NDP 11.1111
547 5YRM BGC GLC 11.2676
548 5YRJ BGC GLC 11.2676
549 1NM5 NAD 11.33
550 5GT9 NAP 11.4068
551 5Y1G NAD 11.4583
552 5Y1G AKB 11.4583
553 4G5H NAP 11.4583
554 4G5H UD7 11.4583
555 6AA8 NAD 11.4583
556 1Y1P NMN AMP PO4 11.8056
557 3A06 NDP 11.8056
558 2PZM NAD 11.8056
559 2PZM UDP 11.8056
560 3A06 FOM 11.8056
561 4E5N NAD 11.8056
562 1GAD NAD 11.8056
563 1V47 ADX 11.8056
564 3WMX NAD 12.1528
565 2EXX NAP 12.1528
566 4K5S PM0 12.1528
567 4K5S FAD 12.1528
568 5ODQ FAD 12.1528
569 3AYI HCI 12.1528
570 3AYI FAD 12.1528
571 1C3V NDP 12.2449
572 2Q1W NAD 12.5
573 2GSD NAD 12.5
574 1HYE NAP 12.5
575 4JDR FAD 12.8472
576 4Z0H NAD 12.8472
577 3LKZ SFG 12.8472
578 4EIP FAD 12.8472
579 2X6T NAP 13.1944
580 2HK9 ATR 13.1944
581 6C4M NAP 13.1944
582 2HK9 NAP 13.1944
583 5DN9 NAD 13.1944
584 2OOR NAD 13.2184
585 1E7S NAP 13.5417
586 2Y6Q I7T 13.5417
587 2Y6Q FAD 13.5417
588 2NAD NAD 13.5417
589 1DLJ NAI 13.5417
590 1DLJ UGA 13.5417
591 4D3F NAP 13.8889
592 2VYN NAD 13.8889
593 2HMT NAI 13.8889
594 1DSS NAD 13.8889
595 2GUD MAN 13.9344
596 1HDR NAD 14.3443
597 5Z75 NAD 14.5833
598 3O26 NDP 14.9306
599 3CH6 NAP 15.035
600 3CH6 311 15.035
601 4K26 NDP 15.2174
602 4K26 SFF 15.2174
603 5L53 NAP 15.2778
604 1VL0 NAI 15.2778
605 5L4S 6KX 15.2778
606 5L4S NAP 15.2778
607 5WP5 SAH 15.2778
608 3QV1 NAD 15.8537
609 1DQN IMU 16.087
610 5O98 NAP 17.0139
611 4O1M NAD 17.0139
612 2F5Z FAD 17.1875
613 5L4L NAP 17.7083
614 1GZ6 NAI 17.7083
615 5L4L 7OX 17.7083
616 2FKA BEF 17.8295
617 1SNY NAP 17.9775
618 4J36 FAD 18.75
619 4J36 1HR 18.75
620 2VTD LKM 19.0972
621 5OOH NAP 19.4175
622 5OOH 9ZZ 19.4175
623 3GGO ENO 19.4444
624 3GGO NAI 19.4444
625 1FK8 NAD 19.4553
626 4ZU3 4SD 20.7048
627 3KIF GDL 20.7547
628 2DKN NAI 20.7843
629 5WQP NAP 20.9402
630 5WQP NCA 20.9402
631 4YAC NAI 21.2121
632 5I7S NAD 21.3768
633 5I7S E9P 21.3768
634 1XSE NDP 21.6949
635 5EES NAP 21.8623
636 5G4L NDP 22.028
637 2Q46 NAP 25.6917
638 1A27 NAP 26.7361
639 3HB5 NAP 26.7361
640 4YAG NAI 27.4306
641 1N5D NDP 27.7778
642 4Q9N NAI 28.1879
643 5TC4 NAD 28.4722
644 1ZBQ NAD 29.5139
645 4J7U YTZ 29.8611
646 4J7U NAP 29.8611
647 3RJ5 NAD 31.4961
648 2BD0 NAP 31.9672
649 1OAA OAA 32.0463
650 5GWT NAD 34.1727
651 5GWT SIN 34.1727
652 3TN7 NJP 35.0195
653 2GDZ NAD 35.9551
654 1Z6Z NAP 36.5248
655 1W8D NAP 37.7483
656 1W73 NAP 37.7483
657 4FC7 COA 38.6282
658 4FC7 NAP 38.6282
659 4D42 W0I 39.0071
660 4D42 NAP 39.0071
661 1W6U NAP 39.0728
662 2BGM NAJ 39.2086
663 2PD4 NAD 39.6364
664 2PD4 DCN 39.6364
665 3ZV6 NAD 39.8577
666 3ZV6 4HB 39.8577
667 3V1U NAD 39.9306
668 4OSP NAP 40.3042
669 3OIG NAD 40.6015
670 5OVL NAP 40.625
671 5EJ2 NAD 40.625
672 4O0L NDP 40.7273
673 3GEG NAD 41.2955
674 1BDB NAD 41.5162
675 1JA9 NDP 41.6058
676 1NNU NAD 41.6667
677 1NNU TCT 41.6667
678 3WXB NDP 41.9355
679 1U7T TDT 42.1456
680 1E3W NAD 42.1456
681 1U7T NAD 42.1456
682 3RKR NAP 42.3664
683 5YSS NAD 42.5781
684 6F9Q NAD 42.6471
685 1E6W NAD 42.6923
686 5Z2L NDP 42.8571
687 1QG6 NAD 42.9119
688 1QG6 TCL 42.9119
689 5CG1 NAD BBN 43.4028
690 4OHU NAD 43.4028
691 4OHU 2TK 43.4028
692 1NFQ NAI 43.4615
693 2Q2V NAD 43.5294
694 2WYV NAD 43.6782
695 1HDC CBO 43.7008
696 2JAH NDP 43.7247
697 4KWI NAP 43.7262
698 4KWI 1TJ 43.7262
699 1IY8 NAD 43.8202
700 4ITU NAI 43.8662
701 4ITU 1HS 43.8662
702 3OJF NDP 43.9689
703 3OJF IMJ 43.9689
704 1YXM ADE 44.0972
705 2JAP NDP 44.1296
706 1UZN NAP 44.1296
707 1G0N NDP 44.1696
708 1G0N PHH 44.1696
709 1X1T NAD 44.2308
710 3ICC NAP 44.3137
711 3VZS NAP 44.358
712 3VZS CAA 44.358
713 3QWI NAP 44.4444
714 3QWI CUE 44.4444
715 3A28 NAD 44.5736
716 4FN4 NAD 44.8819
717 5OJI NAP 45
718 5OJI ISN 45
719 1AE1 NAP 45.0549
720 5O42 NAD 45.2555
721 5O42 BGC 45.2555
722 5O42 9JW 45.2555
723 5B4T NAD 45.3846
724 5B4T 3HR 45.3846
725 2ZAT NAP 45.3846
726 5EPO NAP 45.4198
727 4ZA2 NAD 45.4545
728 1XG5 NAP 45.5197
729 4RF2 NAP 45.5882
730 5WUW NAP 45.6446
731 5OVK NDP 45.7031
732 2DTX BMA 45.8333
733 2RH4 EMO 45.8484
734 6CI9 NAP 45.9459
735 3AFN NAP 46.124
736 1ZEM NAD 46.1832
737 3NUG NAD 46.5587
738 1UAY ADN 46.6942
739 5T2U NAP 46.7742
740 1VL8 NAP 46.8165
741 3O03 NAP 46.875
742 2AE2 NAP 46.9231
743 2AE2 PTO 46.9231
744 2EWM NAD 46.988
745 4URF NAD 47.1774
746 4URF 1PS 47.1774
747 3AY6 NAI 47.2119
748 3AY6 BGC 47.2119
749 1O5I NAD 47.3896
750 1ZK4 NAP 47.4104
751 1ZK4 AC0 47.4104
752 1H5Q NAP 47.5472
753 2CFC NAD 47.6
754 2WSB NAD 47.6378
755 1XKQ NDP 47.8571
756 5FFF NAP 47.8599
757 5FFF 5XC 47.8599
758 2B4Q NAP 48.1884
759 1PR9 NAP 48.3607
760 3D3W NAP 48.3607
761 3U4C NDP 48.3986
762 4NBW NAD 48.6381
763 4QED NAP 48.7903
764 3OID NDP 48.8372
765 4NBT NAD 49.1667
766 2AG5 NAD 49.187
767 1GEE NAD 49.4253
768 5FEU NAP 49.6528
769 4NBU NAI 50
Pocket No.: 4; Query (leader) PDB : 3BMN; Ligand: AX3; Similar sites found with APoc: 5
This union binding pocket(no: 4) in the query (biounit: 3bmn.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 4MN3 ACE PHE ALA TYR M3L SER NH2 None
2 4ZL4 4PK 2.08333
3 1AL8 DHP 2.77778
4 2RDT FMN 5.90278
5 4B9K TG0 9.27835
Pocket No.: 5; Query (leader) PDB : 3BMN; Ligand: NAP; Similar sites found with APoc: 22
This union binding pocket(no: 5) in the query (biounit: 3bmn.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 3QDL FMN None
2 1SL6 GAL NDG FUC 1.08696
3 3KO0 TFP 1.9802
4 3VSV XYP 2.08333
5 2XVM SAH 2.51256
6 4C2W ANP 2.86738
7 6G7N DGL 3.81944
8 1TE2 PGA 4.16667
9 1FUT 2GP 4.71698
10 1XX4 BAM 4.98084
11 5T85 44G 5.11628
12 4WOE 3S5 6.25
13 6A3J SOE 7.63889
14 4P83 U5P 7.69231
15 3L8H FX1 7.82123
16 3TY3 GGG 9.375
17 2IZ1 ATR 11.4583
18 5O4J 9KH 14.9635
19 5O4J PJL 14.9635
20 5O4J SAH 14.9635
21 1MFI FHC 15.7895
22 2JJQ SAH 18.0556
Pocket No.: 6; Query (leader) PDB : 3BMN; Ligand: NAP; Similar sites found with APoc: 22
This union binding pocket(no: 6) in the query (biounit: 3bmn.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 3K7M FAD 2.08333
2 2YVF FAD 2.08333
3 2YVF NAD 2.08333
4 5YU3 PRO 2.08333
5 5YU3 NAD 2.08333
6 4KFU ACP 2.35849
7 3GGF GVD 3.47222
8 4Z4P SAH 3.61446
9 4NZ6 DGL 3.81944
10 4CS9 AMP 4.2328
11 4BV6 FAD 4.86111
12 4BG4 ARG 5.20833
13 1V8B NAD 5.90278
14 2PUL ACP 5.90278
15 4GUT FAD 6.45161
16 5GSN NAP 6.59722
17 5GSN FAD 6.59722
18 4ZRB COA 10.9489
19 5XHA FRU 11.1111
20 3R75 PYR 12.8472
21 5TCI MLI 18.4028
22 3KIH GDL 23.7113
Pocket No.: 7; Query (leader) PDB : 3BMN; Ligand: AX3; Similar sites found with APoc: 48
This union binding pocket(no: 7) in the query (biounit: 3bmn.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 3CV7 NAP 1.23077
2 3CV7 C2U 1.23077
3 2Q6B HR2 2.08333
4 6F97 FAD 2.43056
5 1JQD SAH 2.43056
6 1JQD HSM 2.43056
7 1KRH FAD 2.43056
8 2AOT SAH 2.43056
9 4D9C PMP 2.43056
10 1ZC9 PMP 2.77778
11 3L9W AMP 2.77778
12 4CZG ADP 3.125
13 5XLX SAH 3.19149
14 1E1M NAP 3.47222
15 1E1M FAD 3.47222
16 1YB5 NAP 3.81944
17 2RAB NAD 4.16667
18 1ZHX HC3 4.16667
19 3OZV FAD 4.16667
20 1N7G GDR 4.16667
21 2NU8 COA 4.86111
22 1GV0 NAD 5.20833
23 1U7Z PMT 5.30973
24 4Z24 FAD 5.90278
25 4OOP DUP 6.0241
26 2P6W FLC 6.57277
27 1GTE FMN 6.59722
28 1GTE IUR 6.59722
29 2ZXI FAD 6.94444
30 4CDN FO1 7.29167
31 5DUS APR 7.7381
32 3KH5 AMP 8.21429
33 3KH5 ADP 8.21429
34 4FOU C2E 8.33333
35 1D1T NAD 8.68056
36 4DI8 0GY 9.375
37 4DI8 0GZ 9.375
38 5Y1G NAD 11.4583
39 6GR0 F8W 12.069
40 1KBJ FMN 13.8889
41 5FA6 FAD 15.625
42 5FA6 NAP 15.625
43 6C90 ADP 17.3077
44 4UXH T5A 20.6522
45 4FC7 NAP 38.6282
46 4FC7 COA 38.6282
47 5OJI ISN 45
48 5OJI NAP 45
Pocket No.: 8; Query (leader) PDB : 3BMN; Ligand: NAP; Similar sites found with APoc: 69
This union binding pocket(no: 8) in the query (biounit: 3bmn.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 5CLO NS8 None
2 3WLE NAD 2.08333
3 6F3M NAD 2.08333
4 5MBX FAD 2.43056
5 5MBX SP5 2.43056
6 2GMV PEP 2.43056
7 1PS9 FAD 2.43056
8 5O9F NAD 2.43056
9 5O9F 9ON 2.43056
10 1I8T FAD 2.43056
11 2EV9 NAP 2.6616
12 2EV9 SKM 2.6616
13 1P4V GLY 2.77778
14 3CTY FAD 2.77778
15 5EOW FAD 3.125
16 4NTD FAD 3.125
17 5TTJ FAD 3.125
18 5FJN BE2 3.47222
19 5FJN FAD 3.47222
20 5UAO FAD 3.47222
21 1TDF NAP 3.81944
22 3UCL NAP 3.81944
23 3UCL FAD 3.81944
24 3UCL CYH 3.81944
25 5JCM FAD 3.81944
26 5JCM ISD 3.81944
27 5JCM NAD 3.81944
28 2WET FAD 3.81944
29 4ZCC FAD 3.81944
30 4ZCC NAI 3.81944
31 1GET FAD 4.16667
32 2FZW NAD 4.16667
33 3QVP FAD 4.16667
34 2AQJ TRP 4.16667
35 2AQJ FAD 4.16667
36 6ER9 FAD 4.16667
37 1MO9 KPC 4.51389
38 2GMH FAD 4.51389
39 1ZK7 FAD 4.86111
40 3X0V FAD 4.86111
41 1QO8 FAD 4.86111
42 3KP6 SAL 5.29801
43 6FP4 E1T 5.55556
44 1GPJ CIT 5.90278
45 2XVE FAD 5.90278
46 4FWE FAD 5.90452
47 1D4D FAD 6.25
48 4GUS FAD 6.45161
49 4HSU FAD 6.45161
50 5GSN MMZ 6.59722
51 1U3U NAD 6.94444
52 1U3U BNF 6.94444
53 3TWO NDP 6.94444
54 2ZXI FAD 6.94444
55 4GK9 MAN BMA MAN MAN MAN 7.16846
56 3S5W FAD 7.29167
57 4BJZ FAD 8.68056
58 4BJZ P3A 8.68056
59 1D1T NAD 8.68056
60 4REP