-->
Receptor
PDB id Resolution Class Description Source Keywords
4F0E 2.4 Å EC: 2.4.2.30 HUMAN ADP-RIBOSYLTRANSFERASE 7 (ARTD7/PARP15), CATALYTIC DOM COMPLEX WITH STO1102 HOMO SAPIENS ARTD PARP POLY (ADP-RIBOSE) POLYMERASE ADP-RIBOSE BAL3 AGGRESSIVE LYMPHOMA PROTEIN 3 TRANSFERASE GLYCOSYLTRANSFENUCLEUS TRANSCRIPTION TRANSCRIPTION REGULATION TRANSFERATRANSFERASE INHIBITOR COMPLEX
Ref.: DISCOVERY OF LIGANDS FOR ADP-RIBOSYLTRANSFERASES VI DOCKING-BASED VIRTUAL SCREENING. J.MED.CHEM. V. 55 7706 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0RU A:701;
C:701;
D:701;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
284.336 C14 H12 N4 O S Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6EK3 1.6 Å EC: 2.4.2.30 PARP15 CATALYTIC DOMAIN MUTANT (Y598L) IN COMPLEX WITH OUL35 HOMO SAPIENS INHIBITOR OUL35 SIGNALING PROTEIN TRANSFERASE
Ref.: 4-(PHENOXY) AND 4-(BENZYLOXY)BENZAMIDES AS POTENT A SELECTIVE INHIBITORS OF MONO-ADP-RIBOSYLTRANSFERASE PARP10/ARTD10. EUR J MED CHEM V. 156 93 2018
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 6EK3 - OUL C14 H12 N2 O3 c1cc(ccc1C....
2 4F0E - 0RU C14 H12 N4 O S Cc1cccc2c1....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 5V7T ic50 = 610 nM 91V C27 H32 N6 O c1ccc(cc1)....
2 3SMJ - FDR C10 H10 N2 O S CC1=Nc2c(c....
3 4F1L - 0RY C11 H10 N2 O4 c1cc(cc(c1....
4 6EK3 - OUL C14 H12 N2 O3 c1cc(ccc1C....
5 4F0E - 0RU C14 H12 N4 O S Cc1cccc2c1....
50% Homology Family (95)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4BUV ic50 = 21 nM 16I C19 H13 N3 O2 S c1ccc2c(c1....
2 4BJ9 ic50 = 45 nM UHB C24 H27 N9 O6 c1cc2c(c(c....
3 4BU3 ic50 = 59 nM F40 C14 H10 N2 O c1ccc(cc1)....
4 3P0Q - NNL C14 H14 Cl N5 Cc1cc(c2nn....
5 4UFU ic50 = 10 nM 2ZI C16 H11 F3 N2 O Cc1cccc2c1....
6 4UVX ic50 = 11 nM H2W C15 H9 Cl F N O c1cc2c(c(c....
7 4UFY ic50 = 7 nM M3W C16 H14 N2 O Cc1ccc(cc1....
8 4BJC ic50 = 14 nM RPB C19 H18 F N3 O CNCc1ccc(c....
9 4UVZ - 5NN C15 H12 N2 O c1ccc(cc1)....
10 5AEH ic50 = 0.037 uM 8IR C25 H19 Cl N4 O3 COc1ccc(cc....
11 4UVV ic50 = 32 nM W8L C16 H12 Cl N O Cc1cccc2c1....
12 5OWT - F37 C18 H14 N4 O3 C[C@@]1(C(....
13 4UHG ic50 = 540 nM SZ5 C15 H12 N2 O Cc1ccc(cc1....
14 4UVY ic50 = 5.5 nM SGW C16 H12 Cl N O2 COc1cccc2c....
15 5NUT ic50 = 12 nM 9A8 C17 H16 N2 O2 CC(C)Oc1cc....
16 4BU8 ic50 = 28 nM 27F C15 H9 N3 O c1ccc2c(c1....
17 4UVW ic50 = 19.4 nM NYJ C17 H15 N O Cc1cccc2c1....
18 5NOB ic50 = 0.0063 uM 92T C24 H17 Cl N8 O c1ccc(c(c1....
19 4BUX ic50 = 34 nM F35 C18 H14 N4 O3 c1ccc2c(c1....
20 4BJB ic50 = 219 nM P34 C17 H17 N3 O2 CN(C)CC(=O....
21 3P0N - BPU C11 H7 Br N2 O c1cc2n(c1)....
22 3U9Y - 09L C24 H23 F N4 O3 c1ccc2c(c1....
23 5AL5 ic50 = 71 nM JL9 C18 H23 N5 O c1cnccc1CN....
24 4BUW ic50 = 15 nM F33 C17 H13 N3 O3 c1ccc2c(c1....
25 4UVT - G1O C10 H10 N2 O CC1=CNC(=O....
26 4BUE ic50 = 71 nM JQF C19 H19 N3 O2 CC(C)CC(=O....
27 5AL4 ic50 = 300 nM WLH C13 H20 N4 O CN1CCN(CC1....
28 4W5I ic50 = 97 nM 3GX C15 H16 N2 O CN1CCCC2=C....
29 4BUD ic50 = 5 nM 29F C18 H18 N2 O CC(C)(C)c1....
30 4BFP - SWY C29 H23 N5 O3 S COc1ccc(cc....
31 4UVU ic50 = 1200 nM U1T C21 H22 N2 O Cc1cccc2c1....
32 5AKW ic50 = 410 nM NKI C14 H11 Cl N2 O c1ccc2c(c1....
33 5AL2 ic50 = 360 nM O53 C16 H17 N3 O CC(C)c1ccc....
34 4BS4 ic50 = 72 nM A64 C18 H16 O2 CC(C)c1ccc....
35 5AL3 ic50 = 11000 nM TGW C14 H11 Cl2 N3 O CN1c2c(ccc....
36 4UVN - CDJ C15 H11 Cl N2 O c1cc2c(c(c....
37 4BUS ic50 = 176 nM 32F C16 H12 N2 O4 c1ccc2c(c1....
38 3KR8 Kd = 8 nM XAV C14 H11 F3 N2 O S c1cc(ccc1c....
39 4M7B ic50 = 200 nM 28C C14 H15 N5 O Cc1cc(c2nn....
40 5AL1 ic50 = 53000 nM GN5 C17 H19 N3 O CC(C)(C)c1....
41 4BUU ic50 = 56 nM F38 C15 H13 N3 O3 S c1ccc2c(c1....
42 4UVS - R4E C14 H18 N2 O CCCCCC1=Cc....
43 4BUY ic50 = 5 nM F37 C18 H14 N4 O3 C[C@@]1(C(....
44 4UVO - 5WW C16 H14 N2 O2 COc1ccc(cc....
45 4BU9 ic50 = 9 nM 08C C15 H12 N2 O2 COc1ccc(cc....
46 5OWS - F37 C18 H14 N4 O3 C[C@@]1(C(....
47 3P0P - NNF C15 H17 F N4 O CC1=CC(=O)....
48 4BU6 ic50 = 73 nM RGK C14 H11 N3 O c1ccc2c(c1....
49 3MHJ - M3F C14 H9 F3 N2 O Cc1cc(nc2c....
50 4UVL - 32X C9 H8 N2 O c1cc2c(c(c....
51 4BUF ic50 = 38 nM F36 C16 H12 N2 O2 CC(=O)c1cc....
52 5AKU ic50 = 150 nM 29F C18 H18 N2 O CC(C)(C)c1....
53 4BUA ic50 = 35 nM 91F C15 H12 N2 O S CSc1ccc(cc....
54 4BU5 ic50 = 102 nM 3F4 C14 H10 N2 O2 c1ccc2c(c1....
55 4UX4 - E9L C16 H15 N2 O Cc1ccc(cc1....
56 4BU7 ic50 = 11 nM 25F C14 H9 Br N2 O c1ccc2c(c1....
57 3U9H - NCA C6 H6 N2 O c1cc(cnc1)....
58 3UA9 - IWR C25 H19 N3 O3 c1cc2cccnc....
59 4BUT ic50 = 12 nM 31F C14 H11 N3 O3 S c1ccc2c(c1....
60 4BUI ic50 = 23 nM W2E C16 H12 N2 O3 COC(=O)c1c....
61 3UDD - 34M C20 H19 N5 O3 S Cc1nnc(n1c....
62 4W6E ic50 < 0.003 uM 3J5 C27 H29 N5 O2 Cc1cc(ncc1....
63 4MSK ic50 = 0.063 uM 2C8 C25 H19 N5 O3 c1ccc(cc1)....
64 4OA7 - 2XS C25 H19 N3 O3 c1cc2cccnc....
65 4K4E - K4E C22 H25 Cl N4 O3 COc1ccc(cc....
66 4N4V ic50 = 0.002 uM 2GY C26 H29 N5 O2 CC1([C@@H]....
67 5ECE ic50 = 9 nM 5N2 C26 H22 N6 O2 c1ccc2c(c1....
68 4TOR - IW8 C25 H28 Br N3 O4 S CCN(c1cccc....
69 3UH4 ic50 = 0.011 uM XAV C14 H11 F3 N2 O S c1cc(ccc1c....
70 4I9I ic50 = 0.008 uM 1DY C25 H22 N4 O4 COc1ccccc1....
71 4DVI - 2IW C26 H21 N3 O3 Cc1ccnc2c1....
72 4LI6 - 1XO C23 H21 N3 O2 S c1ccc(cc1)....
73 4MSG ic50 = 0.1 nM 2C6 C25 H25 N5 O3 S c1ccc(cc1)....
74 3UH2 ic50 = 1 uM P34 C17 H17 N3 O2 CN(C)CC(=O....
75 5EBT - 5N8 C23 H17 F5 N6 O2 C[C@H]1Cn2....
76 4MT9 ic50 = 0.1 nM 2D6 C24 H24 N4 O3 S c1ccc2c(c1....
77 4N4T ic50 = 0.049 uM 2GV C26 H23 N5 O2 CC1([C@@H]....
78 4N3R ic50 = 0.15 uM 2GU C26 H22 F N5 O2 CC1(CC(=O)....
79 4LI7 - 1XP C23 H23 Cl F N3 O3 COc1cc(c(c....
80 4KRS ic50 = 0.299 uM 1SX C15 H18 N4 O S CC(C)(C)c1....
81 4TOS - 355 C33 H33 N5 O4 CC1=CC=CC2....
82 3SE2 - LDR C13 H9 N O c1ccc2c(c1....
83 5V7T ic50 = 610 nM 91V C27 H32 N6 O c1ccc(cc1)....
84 3SMJ - FDR C10 H10 N2 O S CC1=Nc2c(c....
85 4F1L - 0RY C11 H10 N2 O4 c1cc(cc(c1....
86 4J1Z - 495 C8 H5 Cl N2 O c1ccc2c(c1....
87 4J22 Kd = 0.018 uM AJ7 C23 H24 Cl N3 O3 CC1=CC(=O)....
88 4J3L Kd = 0.016 uM AJ5 C20 H19 Cl N2 O3 CC1=CC(=O)....
89 3MHK - P4L C12 H11 N3 O S c1ccnc(c1)....
90 4J3M ic50 = 0.021 uM AJ8 C17 H12 Cl N O3 CC1=CC(=O)....
91 4IUE Kd = 0.28 uM AJ4 C16 H12 F N O CC1=CC(=O)....
92 4J21 Kd = 0.039 uM AJ6 C16 H13 Cl N2 O CC1=CC(=O)....
93 3W51 ic50 = 12 uM AJ2 C10 H9 N O Cc1cc(nc2c....
94 6EK3 - OUL C14 H12 N2 O3 c1cc(ccc1C....
95 4F0E - 0RU C14 H12 N4 O S Cc1cccc2c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0RU; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 0RU 1 1
2 MAQ 0.430769 0.647059
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6EK3; Ligand: OUL; Similar sites found with APoc: 326
This union binding pocket(no: 1) in the query (biounit: 6ek3.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3WDM ADN None
2 4XB4 45D None
3 5O3Q CMP None
4 1M5W DXP None
5 5CJ3 52G None
6 4K4D HFQ 0.904977
7 5NUF NAD 1.35747
8 4A0S NAP 1.35747
9 4KXL 6C6 1.35747
10 5GVH FMN 1.35747
11 6B2M COA 1.80995
12 2TPS TPS 1.80995
13 1LDN NAD 1.80995
14 3VKX T3 1.80995
15 4XGU ADP 1.80995
16 4R2M ANP 1.89873
17 4MCC 21X 2.03252
18 4F8L AES 2.06897
19 1NFS DED 2.18579
20 1S4M LUM 2.26244
21 5N0O SAM 2.26244
22 2NVK FAD 2.26244
23 5I7A 68Q 2.26244
24 6GEW SFG 2.26244
25 6GEW SAH 2.26244
26 2E2R 2OH 2.26244
27 3T4L ZEA 2.26244
28 5B3A 0JO 2.26244
29 5UL4 SAM 2.26244
30 1P9P SAH 2.26244
31 1LL2 UPG 2.26244
32 2GJN NIS 2.26244
33 5HWV MBN 2.30769
34 1GZF NAD 2.36967
35 1GZF ADP 2.36967
36 1GZF NIR 2.36967
37 1N07 ADP 2.45399
38 1N07 FMN 2.45399
39 3LF0 ATP 2.63158
40 5TZO 7V7 2.65957
41 3VO1 FAD 2.71493
42 1FND FAD 2.71493
43 1FND A2P 2.71493
44 3MHP FAD 2.71493
45 1SM4 FAD 2.71493
46 2C5S AMP 2.71493
47 1SVM ATP 2.71493
48 1TOX NAD 2.71493
49 1G51 AMP 2.71493
50 1JGT APC 2.71493
51 1JGT CMA 2.71493
52 2C78 PUL 2.71493
53 4PIV NDP 2.71493
54 3IU9 T07 2.71493
55 3KFL ME8 2.71493
56 1QFY NAP 2.71493
57 1QFY FAD 2.71493
58 5K4W NAI 2.71493
59 1HYH NAD 2.71493
60 1U8V FAD 2.71493
61 3TAO PGH 2.71493
62 4D3F NAP 2.71493
63 3D36 ADP 2.71493
64 1O44 852 2.77778
65 6FA4 D1W 2.89017
66 1SBR VIB 3
67 1DTP APU 3.15789
68 5A5W GUO 3.16206
69 4FK7 P34 3.16742
70 1PN4 HDC 3.16742
71 4ZH7 FUC GAL NAG GAL FUC 3.16742
72 5W75 SUC 3.16742
73 4AF0 IMP 3.16742
74 3CGB FAD 3.16742
75 1OFL NGK GCD 3.16742
76 4CE5 PDG 3.16742
77 2XIQ MLC 3.16742
78 2CJ9 SSA 3.16742
79 4ZLU ADP 3.16742
80 1J49 NAD 3.16742
81 4B2Z P5S 3.16742
82 4ZLU 4PW 3.16742
83 2PWY SAH 3.16742
84 5KJW 53C 3.16742
85 2AC7 ADN 3.16742
86 2P6W FLC 3.28639
87 5L9O GOP 3.35821
88 4QAR ADE 3.48259
89 3ABI NAD 3.61991
90 6MJF SAH 3.61991
91 5TUF TDC 3.61991
92 5TUF FAD 3.61991
93 2BVN ENX 3.61991
94 3U2U UDP 3.61991
95 1GTE FAD 3.61991
96 3EYA TDP 3.61991
97 1ODJ GMP 3.61991
98 4AUT FAD 3.61991
99 2RDE C2E 3.61991
100 1U1F 183 3.61991
101 6CS8 F9Y 3.61991
102 4XP7 FNR 3.61991
103 5UKL SIX 3.61991
104 1NZY BCA 3.61991
105 1JXZ BCA 3.61991
106 4BQH 9VU 3.61991
107 1TRD PGH 3.61991
108 2CDU FAD 3.61991
109 4KBA 1QM 3.61991
110 5WS9 AMP 3.61991
111 2A5F NAD 3.62694
112 4K49 HFQ 3.67647
113 1MJH ATP 3.7037
114 4O9S 2RY 3.72093
115 3ANP DCC 3.92157
116 3ANP DAO 3.92157
117 5EWK P34 4
118 1GJC 130 4.0724
119 1LYX PGA 4.0724
120 2YBQ SAH 4.0724
121 2YBQ UP2 4.0724
122 1CT9 AMP 4.0724
123 1VGR COA 4.0724
124 2VJM COA 4.0724
125 3FC2 IBI 4.0724
126 5TVA AMP 4.0724
127 3NTA FAD 4.0724
128 4NAE 1GP 4.0724
129 1V1A KDG 4.0724
130 1OJZ NAD 4.24528
131 4IEN GDP 4.29448
132 1T57 FMN 4.36893
133 5GXU FAD 4.52489
134 2WSA MYA 4.52489
135 2WSA 646 4.52489
136 5FFF NAP 4.52489
137 4Z0G 5GP 4.52489
138 1REQ DCA 4.52489
139 4M73 M72 4.52489
140 4M73 SAH 4.52489
141 2A8Y MTA 4.52489
142 1E8G FCR 4.52489
143 1O9U ADZ 4.52489
144 4B98 PXG 4.52489
145 1KZN CBN 4.87805
146 3ESS 18N 4.97738
147 4FXQ G9L 4.97738
148 5W5R PYR 4.97738
149 2F5Z FAD 4.97738
150 6BQC LOP 4.97738
151 4YHB FAD 4.97738
152 4HVA 4HV 4.97738
153 2EFX NFA 4.97738
154 5F7V GLC GLC GLC GLC 4.97738
155 4S28 AIR 4.97738
156 4S28 SAH 4.97738
157 1M2Z DEX 4.97738
158 4B0T ADP 4.97738
159 4IXH IMP 4.97738
160 4JK3 NAD 4.97738
161 1OKE BOG 4.97738
162 4R3U 3KK 5.06329
163 4R3U 3HC 5.06329
164 3AIA SAM 5.21327
165 3R35 4CO 5.29801
166 4JEJ 1GP 5.42986
167 1K97 CIR 5.42986
168 1K97 ASP 5.42986
169 2C6Q IMP 5.42986
170 2C6Q NDP 5.42986
171 2YPI PGA 5.42986
172 2WE5 ADP 5.42986
173 5A89 FMN 5.42986
174 5A89 ADP 5.42986
175 2X2M X2M 5.42986
176 5Y0N ATP 5.42986
177 2BKX F6R 5.42986
178 3O84 HTJ 5.42986
179 4P6X HCY 5.42986
180 4L50 D8X 5.42986
181 5Y0Q APC 5.42986
182 3ZLR X0B 5.42986
183 5WHT SIA 5.7971
184 5WHT SIA GAL GLC 5.7971
185 2A9K NAD 5.88235
186 1Q19 APC 5.88235
187 1RM6 FAD 5.88235
188 3Q9O NAD 5.88235
189 2R0N TGC 5.88235
190 2R0N FAD 5.88235
191 4KVL PLM 5.88235
192 4Z87 GDP 5.88235
193 4Z87 5GP 5.88235
194 3UBM COA 5.88235
195 5X8G S0N 5.88235
196 5G5W R8C 5.88235
197 5YSI NCA 5.92105
198 4XSH NAI 6.14525
199 3P7N FMN 6.20155
200 1DTL BEP 6.21118
201 1B7Y FYA 6.33484
202 4MO4 ACP 6.33484
203 3A4V NAD 6.33484
204 3A4V PYR 6.33484
205 2Z6J FMN 6.33484
206 5D9G GLU ASN LEU TYR PHE GLN 6.33484
207 5ECP ATP 6.33484
208 4K2G 1OQ 6.33484
209 3ICS FAD 6.33484
210 3DLA NXX 6.33484
211 5CSS G3P 6.63717
212 4WT2 3UD 6.66667
213 1F0X FAD 6.78733
214 1PQ7 ARG 6.78733
215 5YJS SAL 6.78733
216 5ZI2 ADP 6.78733
217 3LXD FAD 6.78733
218 1NP7 FAD 6.78733
219 2RC5 FAD 6.78733
220 5GUE GGS 6.78733
221 1GR0 NAD 6.78733
222 5MRH Q9Z 6.78733
223 1XT8 CYS 6.78733
224 4YC0 5OF 7.23982
225 4CNK FAD 7.23982
226 5ZW7 FAD 7.23982
227 5Y6Q FAD 7.23982
228 1XHC FAD 7.23982
229 1QD1 FON 7.23982
230 1QDS PGA 7.23982
231 2JG1 ANP 7.23982
232 5ALC TIQ 7.23982
233 5F7N NAG GAL FUC FUC A2G 7.5
234 5F7Y GLC GAL NAG GAL FUC A2G 7.5
235 3EFS BTN 7.69231
236 1O94 ADP 7.69231
237 3G6K FAD 7.69231
238 3G6K POP 7.69231
239 1O94 AMP 7.69231
240 5B48 TDN 7.69231
241 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 7.89474
242 1KOR ANP 8.1448
243 1KOR ARG 8.1448
244 1KOR SIN 8.1448
245 3HRD FAD 8.1448
246 1JJE BYS 8.1448
247 1DL5 SAH 8.1448
248 1I1E DM2 8.1448
249 5OCG 9R5 8.46561
250 3GD4 FAD 8.59729
251 5H04 NAI 8.59729
252 2Y88 2ER 8.59729
253 3VRY B43 8.59729
254 1GV0 NAD 8.59729
255 5ZJ5 NAI 8.64198
256 1EWJ BLM 8.73016
257 1PJ6 FOL 9.04977
258 2UZ1 TPP 9.04977
259 3IAE D7K 9.04977
260 3QH2 3NM 9.04977
261 1PJS SAH 9.04977
262 1VCE SAH 9.04977
263 2FLI DX5 9.09091
264 5JZI LYS LEU VAL ALA LEU GLY ILE ASN ALA VAL 9.47867
265 4H03 NAD 9.50226
266 4DQL FAD 9.50226
267 4DQL NAP 9.50226
268 1BW9 PPY 9.50226
269 1C1X HFA 9.50226
270 1WOR RED 9.50226
271 2A3I C0R 9.50226
272 2YNE YNE 9.95475
273 2YNE NHW 9.95475
274 3JQQ FAD 9.95475
275 3JQQ A2P 9.95475
276 1FFU FAD 9.95475
277 3FIU AMP 9.95475
278 5H5J FAD 10.3093
279 1T3Q FAD 10.4072
280 2BLE 5GP 10.4072
281 2WZG UPG 10.4072
282 4X9X OLA 10.4072
283 6F97 FAD 10.4072
284 3A75 GLU 10.4072
285 6CE2 SVR 10.7438
286 1OG1 TAD 10.8597
287 1N62 FAD 10.8597
288 4YWV SSN 10.8597
289 4Y24 TD2 11.039
290 3QXV MTX 11.1111
291 2HJR APR 11.3122
292 5H2U 1N1 11.3122
293 4PAB THG 11.7647
294 4UUG PXG 11.7647
295 3RMK BML 12.0482
296 1QD0 RR6 12.5
297 2UUU FAD 13.1222
298 2UUU PL3 13.1222
299 3QPB URA 13.5747
300 2V92 ATP 13.7931
301 2V92 AMP 13.7931
302 2WN6 NDP 14.0271
303 4ZOH FAD 14.0271
304 4Z9D NAD 14.2857
305 5KMS NAD 14.4796
306 1GAW FAD 14.9321
307 1V9A SAH 15.0628
308 1XK9 P34 15.814
309 3B82 NAD 16.4251
310 1BC5 ACE ASN TRP GLU THR PHE 17.1004
311 1BC5 SAH 17.1004
312 3AD8 NAD 17.6471
313 3AD8 FAD 17.6471
314 3AD8 PYC 17.6471
315 6E2B PT7 18.4211
316 5O0B 9FE 19.7531
317 5NTW 98N 20
318 1EWY FAD 20.4082
319 1UWK NAD 23.0769
320 1UWK URO 23.0769
321 5ERG SAM 23.0769
322 4AX9 N5N 32.1429
323 1EB1 ZAL PRO MMO 33.3333
324 5NI5 8YB 40
325 6ESN BWE 41.6667
326 1N4H REA 46.6667
Pocket No.: 2; Query (leader) PDB : 6EK3; Ligand: OUL; Similar sites found with APoc: 66
This union binding pocket(no: 2) in the query (biounit: 6ek3.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1NQ7 ARL None
2 4CO3 ATP None
3 5UBG PRT 1.35747
4 2Y6O 1N1 1.35747
5 3UZO PLP 1.35747
6 3UZO GLU 1.35747
7 3B2Q ATP 2.26244
8 1B7H LYS NLE LYS 2.26244
9 1IYE PGU 2.26244
10 3DJL FAD 2.26244
11 1EDO NAP 2.26244
12 1RZ0 FAD 2.48447
13 1RZ1 FAD 2.48447
14 3IAL PR8 2.71493
15 3BW2 FMN 2.71493
16 1SW0 PGA 2.71493
17 3ICC NAP 3.16742
18 1ZPT FAD 3.16742
19 3EE4 MYR 3.16742
20 5G5G FAD 3.16742
21 4MOB COA 3.16742
22 5TA6 79D 3.16742
23 3TEG DAH 3.16742
24 1HXD BTN 3.16742
25 1AJQ SPA 3.61991
26 4GK9 MAN BMA MAN MAN MAN 3.61991
27 2Z3U CRR 3.61991
28 4O4K 2PK 3.61991
29 2G30 ALA ALA PHE 3.61991
30 3NYQ MCA 3.61991
31 3NYQ AMP 3.61991
32 5J60 FAD 4.0724
33 6F4W FMC 4.0724
34 2FV5 541 4.0724
35 5APG EEM 4.32432
36 4E2J MOF 4.52489
37 3IL6 B83 4.52489
38 5UFS 1TA 4.52489
39 4YJK URA 4.52489
40 2V1O COA 4.63576
41 3PP0 03Q 4.97738
42 4AVB CMP 4.97738
43 3KLJ FAD 5.42986
44 3IES M24 5.42986
45 5FM0 WAQ 5.42986
46 5WHT SIA GAL 5.7971
47 5K8B PDG 6.33484
48 4RR7 A3S 6.61765
49 4EWN 0VR 6.71937
50 1YP4 ADP 7.23982
51 2BVL UDP 7.23982
52 2BVL GLC 7.23982
53 2H8H H8H 7.69231
54 4BGB ADP 7.69231
55 2WSI FAD 8.1448
56 2YVJ FAD 8.25688
57 3IWK NAD 9.04977
58 3BBH SFG 9.26829
59 1CLU DBG 10.241
60 5MM0 GDD 10.8597
61 4ONA UW1 10.8597
62 1IXE COA 13.1222
63 3APT FAD 14.9321
64 2J9D ADP 16.8067
65 2RHQ GAX 17.6471
66 6BSW UDP 21.7195
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