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Receptor
PDB id Resolution Class Description Source Keywords
2JJK 2 Å EC: 3.1.3.11 FRUCTOSE-1,6-BISPHOSPHATASE(D-FRUCTOSE-1,6-BISPHOSPHATE -1-PHOSPHOHYDROLASE) (E.C.3.1.3.11) COMPLEXED WITH A D UAL BINDING AMP SITE INHIBITOR HOMO SAPIENS HYDROLASE (PHOSPHORIC MONOESTER) DISEASE MUTATION ALLOSTERIC ENZYME ZINC HYDROLASE POLYMORPHISM GLUCONEOGENESIS CARBOHYDRATE METABOLISM
Ref.: ALLOSTERIC FBPASE INHIBITORS GAIN 10(5) TIMES IN POTENCY WHEN SIMULTANEOUSLY BINDING TWO NEIGHBORING AMP SITES. BIOORG.MED.CHEM.LETT. V. 18 4708 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
R15 A:1336;
D:1336;
Valid;
Valid;
none;
none;
ic50 = 9 nM
565.49 C21 H26 Cl2 N4 O6 S2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2JJK 2 Å EC: 3.1.3.11 FRUCTOSE-1,6-BISPHOSPHATASE(D-FRUCTOSE-1,6-BISPHOSPHATE -1-PHOSPHOHYDROLASE) (E.C.3.1.3.11) COMPLEXED WITH A D UAL BINDING AMP SITE INHIBITOR HOMO SAPIENS HYDROLASE (PHOSPHORIC MONOESTER) DISEASE MUTATION ALLOSTERIC ENZYME ZINC HYDROLASE POLYMORPHISM GLUCONEOGENESIS CARBOHYDRATE METABOLISM
Ref.: ALLOSTERIC FBPASE INHIBITORS GAIN 10(5) TIMES IN POTENCY WHEN SIMULTANEOUSLY BINDING TWO NEIGHBORING AMP SITES. BIOORG.MED.CHEM.LETT. V. 18 4708 2008
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 2VT5 - ROK ROK n/a n/a
2 2WBB ic50 = 0.92 uM RO3 C11 H10 Br N3 O3 S2 Cc1ccc(cc1....
3 2Y5L ic50 = 0.33 uM RO8 C10 H7 Br Cl N3 O3 S2 c1cc(cc(c1....
4 2JJK ic50 = 9 nM R15 C21 H26 Cl2 N4 O6 S2 c1cc(cc(c1....
5 2WBD Kd = 0.23 uM RO5 C12 H12 Br N3 O3 S2 CCc1cccc(c....
6 4MJO Kd = 0.6 uM 2C1 C16 H20 Br N5 O5 S2 Cc1cc(sc1C....
7 2Y5K ic50 = 0.22 uM YCU C17 H23 N5 O6 S2 Cc1cc(sc1C....
70% Homology Family (54)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1FSA - F6P C6 H13 O9 P C([C@@H]1[....
2 1RDY - F6P C6 H13 O9 P C([C@@H]1[....
3 1FPI - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 1Q9D ic50 = 1.87 uM OI1 C32 H35 N3 O5 CCC[C@@H](....
5 1YZ0 Kd = 2.4 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
6 1NUX - F6P C6 H13 O9 P C([C@@H]1[....
7 1RDZ - F6P C6 H13 O9 P C([C@@H]1[....
8 1FPF - AMP C10 H14 N5 O7 P c1nc(c2c(n....
9 1NV0 - F6P C6 H13 O9 P C([C@@H]1[....
10 1EYJ - F6P C6 H13 O9 P C([C@@H]1[....
11 1FJ9 - F6P C6 H13 O9 P C([C@@H]1[....
12 1NV1 - F6P C6 H13 O9 P C([C@@H]1[....
13 1FPG - AMP C10 H14 N5 O7 P c1nc(c2c(n....
14 2QVU Kd = 0.36 uM FDP C6 H14 O12 P2 C([C@@H]1[....
15 1NUZ - F6P C6 H13 O9 P C([C@@H]1[....
16 1YXI - F6P C6 H13 O9 P C([C@@H]1[....
17 2QVV - FDP C6 H14 O12 P2 C([C@@H]1[....
18 1FPD - AMP C10 H14 N5 O7 P c1nc(c2c(n....
19 1YYZ Kd = 2.4 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
20 1NV5 - F6P C6 H13 O9 P C([C@@H]1[....
21 1EYK - F6P C6 H13 O9 P C([C@@H]1[....
22 4FBP - AMP C10 H14 N5 O7 P c1nc(c2c(n....
23 1FPL - AMP C10 H14 N5 O7 P c1nc(c2c(n....
24 1NUW - F6P C6 H13 O9 P C([C@@H]1[....
25 1NV6 - F6P C6 H13 O9 P C([C@@H]1[....
26 1FBH - FBP C6 H14 O12 P2 C([C@@H]1[....
27 1FPE - AMP C10 H14 N5 O7 P c1nc(c2c(n....
28 1LEV ic50 = 2.6 uM CLI C12 H9 Cl2 N O4 c1c(cc(c2c....
29 3KBZ ic50 = 124 nM 2T4 C11 H11 N2 O4 P S c1cc2c(c(c....
30 1NUY - F6P C6 H13 O9 P C([C@@H]1[....
31 1NV3 - F6P C6 H13 O9 P C([C@@H]1[....
32 3KC1 ic50 = 1 nM 2T6 C12 H11 N2 O5 P S c1cc(c-2c(....
33 1EYI - F6P C6 H13 O9 P C([C@@H]1[....
34 1CNQ - F6P C6 H13 O9 P C([C@@H]1[....
35 1NV7 - F6P C6 H13 O9 P C([C@@H]1[....
36 1FPJ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
37 1KZ8 ic50 = 0.83 uM PFE C22 H22 N4 O3 S CCOc1cc2c(....
38 1NV4 - F6P C6 H13 O9 P C([C@@H]1[....
39 1FJ6 - F6P C6 H13 O9 P C([C@@H]1[....
40 1FRP - FDP C6 H14 O12 P2 C([C@@H]1[....
41 1FTA - AMP C10 H14 N5 O7 P c1nc(c2c(n....
42 1NV2 - F6P C6 H13 O9 P C([C@@H]1[....
43 1FBP - F6P C6 H13 O9 P C([C@@H]1[....
44 5FBP - F6P C6 H13 O9 P C([C@@H]1[....
45 2VT5 - ROK ROK n/a n/a
46 2WBB ic50 = 0.92 uM RO3 C11 H10 Br N3 O3 S2 Cc1ccc(cc1....
47 2Y5L ic50 = 0.33 uM RO8 C10 H7 Br Cl N3 O3 S2 c1cc(cc(c1....
48 2JJK ic50 = 9 nM R15 C21 H26 Cl2 N4 O6 S2 c1cc(cc(c1....
49 2WBD Kd = 0.23 uM RO5 C12 H12 Br N3 O3 S2 CCc1cccc(c....
50 4MJO Kd = 0.6 uM 2C1 C16 H20 Br N5 O5 S2 Cc1cc(sc1C....
51 2Y5K ic50 = 0.22 uM YCU C17 H23 N5 O6 S2 Cc1cc(sc1C....
52 5ET6 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
53 4HE1 - F6P C6 H13 O9 P C([C@@H]1[....
54 4HE2 ic50 = 3.65 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (57)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1FSA - F6P C6 H13 O9 P C([C@@H]1[....
2 1RDY - F6P C6 H13 O9 P C([C@@H]1[....
3 1FPI - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 1Q9D ic50 = 1.87 uM OI1 C32 H35 N3 O5 CCC[C@@H](....
5 1YZ0 Kd = 2.4 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
6 1NUX - F6P C6 H13 O9 P C([C@@H]1[....
7 1RDZ - F6P C6 H13 O9 P C([C@@H]1[....
8 1FPF - AMP C10 H14 N5 O7 P c1nc(c2c(n....
9 1NV0 - F6P C6 H13 O9 P C([C@@H]1[....
10 1EYJ - F6P C6 H13 O9 P C([C@@H]1[....
11 1FJ9 - F6P C6 H13 O9 P C([C@@H]1[....
12 1NV1 - F6P C6 H13 O9 P C([C@@H]1[....
13 1FPG - AMP C10 H14 N5 O7 P c1nc(c2c(n....
14 2QVU Kd = 0.36 uM FDP C6 H14 O12 P2 C([C@@H]1[....
15 1NUZ - F6P C6 H13 O9 P C([C@@H]1[....
16 1YXI - F6P C6 H13 O9 P C([C@@H]1[....
17 2QVV - FDP C6 H14 O12 P2 C([C@@H]1[....
18 1FPD - AMP C10 H14 N5 O7 P c1nc(c2c(n....
19 1YYZ Kd = 2.4 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
20 1NV5 - F6P C6 H13 O9 P C([C@@H]1[....
21 1EYK - F6P C6 H13 O9 P C([C@@H]1[....
22 4FBP - AMP C10 H14 N5 O7 P c1nc(c2c(n....
23 1FPL - AMP C10 H14 N5 O7 P c1nc(c2c(n....
24 1NUW - F6P C6 H13 O9 P C([C@@H]1[....
25 1NV6 - F6P C6 H13 O9 P C([C@@H]1[....
26 1FBH - FBP C6 H14 O12 P2 C([C@@H]1[....
27 1FPE - AMP C10 H14 N5 O7 P c1nc(c2c(n....
28 1LEV ic50 = 2.6 uM CLI C12 H9 Cl2 N O4 c1c(cc(c2c....
29 3KBZ ic50 = 124 nM 2T4 C11 H11 N2 O4 P S c1cc2c(c(c....
30 1NUY - F6P C6 H13 O9 P C([C@@H]1[....
31 1NV3 - F6P C6 H13 O9 P C([C@@H]1[....
32 3KC1 ic50 = 1 nM 2T6 C12 H11 N2 O5 P S c1cc(c-2c(....
33 1EYI - F6P C6 H13 O9 P C([C@@H]1[....
34 1CNQ - F6P C6 H13 O9 P C([C@@H]1[....
35 1NV7 - F6P C6 H13 O9 P C([C@@H]1[....
36 1FPJ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
37 1KZ8 ic50 = 0.83 uM PFE C22 H22 N4 O3 S CCOc1cc2c(....
38 1NV4 - F6P C6 H13 O9 P C([C@@H]1[....
39 1FJ6 - F6P C6 H13 O9 P C([C@@H]1[....
40 1FRP - FDP C6 H14 O12 P2 C([C@@H]1[....
41 1FTA - AMP C10 H14 N5 O7 P c1nc(c2c(n....
42 1NV2 - F6P C6 H13 O9 P C([C@@H]1[....
43 1FBP - F6P C6 H13 O9 P C([C@@H]1[....
44 5FBP - F6P C6 H13 O9 P C([C@@H]1[....
45 2VT5 - ROK ROK n/a n/a
46 2WBB ic50 = 0.92 uM RO3 C11 H10 Br N3 O3 S2 Cc1ccc(cc1....
47 2Y5L ic50 = 0.33 uM RO8 C10 H7 Br Cl N3 O3 S2 c1cc(cc(c1....
48 2JJK ic50 = 9 nM R15 C21 H26 Cl2 N4 O6 S2 c1cc(cc(c1....
49 2WBD Kd = 0.23 uM RO5 C12 H12 Br N3 O3 S2 CCc1cccc(c....
50 4MJO Kd = 0.6 uM 2C1 C16 H20 Br N5 O5 S2 Cc1cc(sc1C....
51 2Y5K ic50 = 0.22 uM YCU C17 H23 N5 O6 S2 Cc1cc(sc1C....
52 5ET6 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
53 4HE1 - F6P C6 H13 O9 P C([C@@H]1[....
54 4HE2 ic50 = 3.65 uM AMP C10 H14 N5 O7 P c1nc(c2c(n....
55 2QVR - FDP C6 H14 O12 P2 C([C@@H]1[....
56 2OWZ - F6P C6 H13 O9 P C([C@@H]1[....
57 2OX3 - PEP C3 H5 O6 P C=C(C(=O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: R15; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 R15 1 1
2 RO8 0.4 0.617284
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2JJK; Ligand: R15; Similar sites found with APoc: 406
This union binding pocket(no: 1) in the query (biounit: 2jjk.bio1) has 44 residues
No: Leader PDB Ligand Sequence Similarity
1 4I67 G G G RPC None
2 1ZEI CRS None
3 1UO4 PIH None
4 1TIQ COA None
5 1MR3 G3D None
6 4YLG GDP None
7 4LWU 20U None
8 3HGM ATP None
9 2PEZ DAT 1.11732
10 2CBZ ATP 1.26582
11 4QAG F95 1.50376
12 2NCD ADP 1.77515
13 4HSE ADP 1.77515
14 5MZN ADP 1.77515
15 4CSD MFU 1.77515
16 2VAR AMP 1.91693
17 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.04082
18 3H4S ADP 2.07101
19 4FRZ ADP 2.07101
20 3COB ADP 2.07101
21 4IEE AGS 2.07101
22 2IYF UDP 2.07101
23 1W7J ADP BEF 2.07101
24 2J5V PCA 2.07101
25 5L3V GDP 2.07101
26 1OXV ANP 2.07101
27 3EC1 GDP 2.07101
28 3IO3 ADP 2.07101
29 5FTB ANP 2.07101
30 1IHU ADP 2.07101
31 4G86 BNT 2.11268
32 4D81 ADP 2.12014
33 3E70 GDP 2.13415
34 2F5X ASP 2.24359
35 4FCW ADP 2.2508
36 1G16 GDP 2.35294
37 3LRE ADP 2.36686
38 3MD0 GDP 2.36686
39 2GKS ADP 2.36686
40 1J78 OLA 2.36686
41 5WKC TP9 2.36686
42 1T9D P22 2.36686
43 1TV5 N8E 2.36686
44 2RCN GDP 2.36686
45 5HR5 ADP 2.36686
46 5I34 GDP 2.36686
47 4IA6 EIC 2.36686
48 6BYF CIT 2.36686
49 2GK6 ADP 2.36686
50 1YTM ATP 2.36686
51 5A96 GTP 2.40964
52 4NTO 1PW 2.41546
53 3VX3 ADP 2.41935
54 4MCC 21X 2.43902
55 2W58 ADP 2.47525
56 3T1O GDP 2.52525
57 3O01 DXC 2.5974
58 2PS1 ORO 2.65487
59 1YQT ADP 2.66272
60 4WBD CIT 2.66272
61 6BMS POV 2.66272
62 4ZDJ UTP 2.66272
63 2OBM ADP 2.66272
64 5BN3 ADP 2.66272
65 2IVD ACJ 2.66272
66 1SKQ GDP 2.66272
67 5GOE GDP 2.66272
68 4LC1 GDP 2.67062
69 2GMP NAG MAN 2.77778
70 1FX8 BOG 2.84698
71 3PUN FUC GAL NDG FUC 2.8481
72 3DKP ADP 2.85714
73 3B5J 12D 2.88066
74 6GVZ CHO 2.95082
75 2D2F ADP 2.95858
76 4KVL PLM 2.95858
77 2AWN ADP 2.95858
78 5U32 GDP 2.95858
79 2BO4 FLC 2.95858
80 2ZJ5 ADP 2.95858
81 1XP8 AGS 2.95858
82 1H65 GDP 2.96296
83 1I36 NAP 3.0303
84 4MGA 27L 3.13725
85 5LX9 OLB 3.16901
86 1U3G ADP 3.1746
87 4TV1 36M 3.18725
88 2ZTS ADP 3.18725
89 2WJG GDP 3.19149
90 1B7T ADP 3.20513
91 1ZJ6 G3D 3.20856
92 3LL5 IP8 3.21285
93 3FIU POP 3.21285
94 1KK8 BEF ADP 3.24675
95 2VVG ADP 3.25444
96 5TSH ADP 3.25444
97 5TSH ANP 3.25444
98 1FDJ 13P 3.25444
99 2AL2 2PG 3.25444
100 2AL2 PEP 3.25444
101 4B47 GDP 3.25444
102 3ITJ CIT 3.25444
103 5M04 GDP 3.25444
104 1D2E GDP 3.25444
105 4TTQ ATP 3.25581
106 4LPS GDP 3.30579
107 1FZQ GDP 3.31492
108 3BFV ADP 3.32103
109 3TK1 GDP 3.33333
110 3NOJ PYR 3.36134
111 4BQS ADP 3.40909
112 3B6C SDN 3.4188
113 4DE3 DN8 3.42205
114 3W5J GDP 3.43137
115 3A4M ADP 3.46154
116 4QM7 GTP 3.50877
117 4PPF FLC 3.5503
118 1GOJ ADP 3.5503
119 2OG2 MLI 3.5503
120 5N69 ADP 3.5503
121 4IHQ ADP 3.5503
122 3U6B GDP 3.5503
123 2ZR9 DTP 3.5503
124 3Q85 GNP 3.5503
125 2ZFI ADP 3.5503
126 4J0Q GDP 3.5503
127 1D8T GDP 3.5503
128 5EE7 5MV 3.5503
129 4G5G GDP 3.5503
130 5JBQ GDP 3.5503
131 3N75 G4P 3.5503
132 3U6K GDP 3.5503
133 3GJ5 GDP 3.61991
134 1G6O ADP 3.63636
135 1V8K ANP 3.65854
136 3N5C GDP 3.7037
137 2X77 GDP 3.7037
138 3ZLM ANP 3.7234
139 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 3.76569
140 3AQ4 GDP 3.80435
141 3DC4 ADP 3.84615
142 3RC3 ANP 3.84615
143 4LJ9 ACP 3.84615
144 1R0X ATP 3.84615
145 3VSS FRU 3.84615
146 5W75 GDP 3.84615
147 5W7Q GDP 3.84615
148 2NNJ 225 3.84615
149 2IYL GDP 3.87324
150 1G6H ADP 3.89105
151 1M2Z BOG 3.89105
152 4V03 ADP 3.89105
153 4USI AKG 3.8961
154 3W54 RNB 3.95137
155 1S8F GDP 3.9548
156 1XPJ TLA 3.96825
157 3B9Q MLI 3.97351
158 2WOR 2AN 4
159 1Z0A GDP 4.02299
160 3GJ3 GDP 4.0724
161 1RE0 GDP 4.0724
162 3GJ0 GDP 4.0724
163 1NU4 MLA 4.12371
164 3TDC 0EU 4.14201
165 1F9V ADP 4.14201
166 1XKV ATP 4.14201
167 4KBF AMP 4.14201
168 5ZXD ATP 4.14201
169 3PH4 AOS 4.14201
170 1KK1 GNP 4.14201
171 5OSW AE4 4.14201
172 2GDJ ANP 4.16667
173 2CJW GDP 4.16667
174 2QZ4 ADP 4.19847
175 3Q72 GNP 4.21687
176 5IFS ADP 4.21941
177 1JJ7 ADP 4.23077
178 2OUA AES 4.25532
179 3FXU TSU 4.2623
180 2QN6 GDP 4.30108
181 1RRC ADP 4.31894
182 3TL1 JRO 4.40252
183 3BER AMP 4.41767
184 4R98 GNH 4.42804
185 1R6B ADP 4.43787
186 5LTJ ADP 4.43787
187 2QEN ADP 4.43787
188 4H1V GNP 4.43787
189 4A4Z ANP 4.43787
190 3IIJ ADP 4.44444
191 1FWV SGA MAG FUC 4.47761
192 3GUZ PAF 4.54545
193 1F6B GDP 4.54545
194 5O74 GDP 4.56853
195 2HT6 GDP 4.5977
196 3Q9L ATP 4.61538
197 3CH5 GDP 4.62963
198 5UIV ADP 4.73373
199 1YRB GDP 4.73373
200 4LYA ATP 4.73373
201 6D5V FVY 4.73373
202 5I0H ADP BEF 4.73373
203 1MKY GDP 4.73373
204 6BVK EAV 4.73373
205 6BVM EBV 4.73373
206 1G7S GDP 4.73373
207 2ACV UDP 4.73373
208 6BR8 6OU 4.7619
209 1BO4 COA 4.7619
210 1VG1 GDP 4.86486
211 1VG9 GDP 4.86486
212 5NM7 GLY 4.88722
213 4URN NOV 4.88889
214 5MWE TCE 4.93827
215 4P3Y GDP 4.94506
216 3DEF GDP 4.96183
217 2EFE GNH 4.97238
218 2CDN ADP 4.97512
219 1JI0 ATP 5
220 3UIE ANP 5
221 5AZC PGT 5
222 5FG3 GDP 5.02959
223 4NON GDP 5.02959
224 3B96 MYA 5.02959
225 3NB0 G6P 5.02959
226 3LN9 FLC 5.03597
227 5CK5 GDP 5.06329
228 4DKX GDP 5.09259
229 4CVN ADP 5.10949
230 5M37 9SZ 5.21739
231 2BES RES 5.23256
232 5M36 9SZ 5.24017
233 6A5Y 9CR 5.26316
234 2IS6 ADP 5.32544
235 1G41 ADP 5.32544
236 5HTX ADP 5.32544
237 5VGR GDP 5.32544
238 3HWW AKG 5.32544
239 3AKI AH8 5.32544
240 5XDR ADP 5.32544
241 1NJF ADP 5.32544
242 5HCN GCP 5.36398
243 3ZFD ANP 5.41311
244 1Q3A NGH 5.45455
245 5XJ7 87O 5.47264
246 4PYA 2X3 5.59006
247 2BHW NEX 5.60345
248 1B0U ATP 5.6213
249 4NRT 2NG 5.6213
250 5W6Y TRP 5.6213
251 5H7J GCP 5.6213
252 2VB6 ADP BEF 5.6213
253 1XMV ADP 5.6213
254 3AB3 GDP 5.69106
255 1XX6 ADP 5.75916
256 1VG0 GDP 5.7971
257 3A1S GDP 5.81395
258 3EWA ANP 5.90062
259 1T5C ADP 5.91716
260 2Y65 ADP 5.91716
261 5V4R MGT 5.91716
262 3KO0 TFP 5.94059
263 3RET PYR 5.94059
264 3RET SAL 5.94059
265 4P86 5GP 6.01093
266 6CB2 OLC 6.14334
267 4QC6 30N 6.14525
268 4U00 ADP 6.14754
269 1BG2 ADP 6.15385
270 4LFL TG6 6.17284
271 5NCB JZ3 6.21302
272 1Q19 SSC 6.21302
273 5YT0 GDP 6.21302
274 5IRN ADP 6.21302
275 4E03 ADP 6.31068
276 3A3B FMN 6.31579
277 3A3B RBF 6.31579
278 5KUT GDP 6.34921
279 5H67 ATP 6.38298
280 4HI0 GDP 6.41509
281 5WZU 7W3 6.50407
282 5GVR LMR 6.50888
283 2XT3 ADP 6.50888
284 2CE7 ADP 6.50888
285 2WHX ADP 6.50888
286 5B0I BOG 6.50888
287 5EY0 GTP 6.56934
288 1GXU 2HP 6.59341
289 1I4D GDP 6.69643
290 1UPF URF 6.69643
291 2HHP FLC 6.80473
292 4IX4 ADP 6.80473
293 1SQ5 ADP 6.81818
294 5URY PAM 6.84932
295 4OI4 ATP 6.95652
296 4YDS ATP 7.01754
297 4FE2 ADP 7.05882
298 1Y63 ADP 7.06522
299 1LVG ADP 7.07071
300 1S9D GDP 7.10059
301 3P4X ADP 7.26392
302 5I8F ML1 7.27273
303 4WZ6 ATP 7.39645
304 5W7B MYR 7.39645
305 2DPY ADP 7.39645
306 3BOS CDP 7.43802
307 5E5U MLI 7.53769
308 6FS0 E4W 7.54717
309 3EYK EYK 7.55814
310 5LWY OLB 7.56302
311 1G3Q ADP 7.59494
312 4R2I ANP 7.61905
313 6DIO CIT 7.69231
314 1MT1 AG2 7.69231
315 4ZBR NPS 7.69231
316 1JJV ATP 7.76699
317 1ION ADP 7.81893
318 1YZG GDP 7.82123
319 3NHB ADP 7.84314
320 2FJK 13P 7.86885
321 5BXQ GDP 7.87402
322 1W55 GPP 7.98817
323 5XHA FRU 7.98817
324 1W5T ADP 8.00971
325 3CNL GNP 8.01527
326 4KFU ACP 8.01887
327 2PL3 ADP 8.05085
328 3RWO GDP 8.10811
329 5UC1 486 8.10811
330 4JLV ADP 8.17844
331 4XCP PLM 8.23529
332 4YJ1 ADP 8.28402
333 6A20 ADP 8.28402
334 2WME NAP 8.28402
335 5ZBR ANP 8.28402
336 3FKQ ATP 8.28402
337 2NV2 GLN 8.33333
338 4OAS 2SW 8.33333
339 3KU0 ADE 8.36653
340 1KAO GDP 8.38323
341 5AJU RP5 8.39416
342 5G3Y ADP 8.40708
343 6B4K ANP 8.57988
344 5Y0T TAT 8.57988
345 4XPL ACO 8.58896
346 3GJ8 GDP 8.69565
347 2CNT COA 8.75
348 2JBH 5GP 8.88889
349 1XXA ARG 8.97436
350 4YMU ATP 9.16667
351 2Z9I GLY ALA THR VAL 9.1716
352 3GJ7 GDP 9.18367
353 5ZI9 FLC 9.23077
354 5E95 GDP 9.27835
355 4IBF 1D5 9.30233
356 1GVF PGH 9.44056
357 3RLF MAL 9.46746
358 4ZJS 4P0 9.56522
359 1NF8 BOG 9.66184
360 3PQC GDP 9.74359
361 5MVR ADP 9.87654
362 4AG5 ADP 10.0592
363 2OFW ADX 10.0962
364 2ZL4 ALA ALA ALA ALA 10.2041
365 1ZED PNP 10.355
366 4PFO ADP 10.355
367 3KIF GDL 10.3774
368 2PZE ATP 10.4803
369 2WIC GNP 10.4869
370 4OGQ 7PH 10.8108
371 3EZ2 ADP 10.9467
372 1U0J ADP 10.9467
373 2KIN ADP 11
374 4R29 SAM 11.1607
375 1HBK MYR 11.236
376 1HBK COA 11.236
377 2X2T GAL NGA 11.7647
378 5WC2 ADP 11.8343
379 5IKR ID8 11.8343
380 4AG9 COA 12.1212
381 5BQ5 ADP BEF 12.1693
382 1M7G AV2 12.426
383 2CHG ANP 12.8319
384 4JLS 3ZE 13.1579
385 3WYA GDP 14.2012
386 6F7X MFU 14.4444
387 2C9O ADP 14.497
388 4P83 U5P 14.8352
389 1S8G DAO 14.876
390 4V3I ASP LEU THR ARG PRO 15.5642
391 3N9R TD3 16.2722
392 4YSX E23 17.3077
393 5L3W GDP 17.6471
394 1XVB 3BR 18.3432
395 1HTW ADP 18.9873
396 3KUD GDP 19.7531
397 3GJ4 GDP 21.2121
398 3WY9 GDP 21.875
399 4ZGM 32M 22.1311
400 3ZIA ADP 22.9508
401 2V7Q ATP 24
402 2V7Q ADP 24
403 4RLT FSE 25.3165
404 3KPE TM3 25.4902
405 2HCJ GDP 27.027
406 5YV5 ADP 38.8889
Pocket No.: 2; Query (leader) PDB : 2JJK; Ligand: R15; Similar sites found with APoc: 36
This union binding pocket(no: 2) in the query (biounit: 2jjk.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 2YVE MBT 1.08108
2 4RW3 TDA 1.65563
3 1S17 GNR 1.66667
4 4XFR CIT 2.07101
5 5LB3 ADP 2.07101
6 4B9E FAH 2.32558
7 2FSH ANP 2.66272
8 2GND MAN 2.77778
9 1Q8P MAN MMA 2.77778
10 2PHF MAN MAN BMA MAN 2.77778
11 2PHR MAN MAN BMA MAN 2.77778
12 3B9Z CO2 2.95858
13 1COY FAD 2.95858
14 4PX9 ADP 3.08219
15 1DAR GDP 3.25444
16 5N26 CPT 3.2967
17 4DE2 DN3 3.42205
18 5E70 RCD 3.5503
19 1VBO MAN MAN MAN 4.02685
20 1MUU SUC 4.43787
21 1A99 PUT 4.43787
22 5H6S HDH 4.73373
23 4URX HXY 4.73373
24 3B7G ANP 4.78261
25 6H8S FSZ 4.98339
26 2AOU CQA 5.47945
27 5X13 HC4 5.85106
28 3WIR BGC 5.91716
29 3R9V DXC 6.21302
30 3TTM PUT 6.50888
31 5Z3I ADE 7.16981
32 2QQC AG2 7.54717
33 4WGF HX2 10.7317
34 1LK7 DER 12.2271
35 1KJ1 MAN 12.844
36 1MID LAP 15.3846
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