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Receptor
PDB id Resolution Class Description Source Keywords
2GMV 2.3 Å EC: 4.1.1.32 PEPCK COMPLEX WITH A GTP-COMPETITIVE INHIBITOR HOMO SAPIENS GLUCONEOGENESIS XANTHINE INHIBITOR LYASE
Ref.: C-8 MODIFICATIONS OF 3-ALKYL-1,8-DIBENZYLXANTHINES AS INHIBITORS OF HUMAN CYTOSOLIC PHOSPHOENOLPYRUVATE CARBOXYKINASE. BIOORG.MED.CHEM.LETT. V. 17 3835 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:701;
B:701;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
PEP A:702;
B:702;
Valid;
Valid;
none;
none;
submit data
168.042 C3 H5 O6 P C=C(C...
UN8 A:703;
Valid;
none;
ic50 = 0.63 uM
565.619 C27 H28 F N7 O4 S CCCCN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GMV 2.3 Å EC: 4.1.1.32 PEPCK COMPLEX WITH A GTP-COMPETITIVE INHIBITOR HOMO SAPIENS GLUCONEOGENESIS XANTHINE INHIBITOR LYASE
Ref.: C-8 MODIFICATIONS OF 3-ALKYL-1,8-DIBENZYLXANTHINES AS INHIBITORS OF HUMAN CYTOSOLIC PHOSPHOENOLPYRUVATE CARBOXYKINASE. BIOORG.MED.CHEM.LETT. V. 17 3835 2007
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2GMV ic50 = 0.63 uM UN8 C27 H28 F N7 O4 S CCCCN1c2c(....
2 1KHE - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
70% Homology Family (47)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4GMW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 4GNO - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
3 5FH1 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
4 4GNL - PEP C3 H5 O6 P C=C(C(=O)O....
5 4GNP - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
6 3DT2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
7 5V9H - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
8 3MOF Ki = 860 uM OXL C2 O4 C(=O)(C(=O....
9 4GNQ - OXL C2 O4 C(=O)(C(=O....
10 2QF2 - OAA C4 H3 O5 C(C(=O)C(=....
11 4GMM - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
12 3DT7 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
13 3DTB - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
14 5FH3 Ki = 970 uM OXL C2 O4 C(=O)(C(=O....
15 4GMU - OXL C2 O4 C(=O)(C(=O....
16 1KHF - PEP C3 H5 O6 P C=C(C(=O)O....
17 4YW8 - 1WD C6 H5 N O2 S c1cc(c(nc1....
18 4YWD - NTM C7 H5 N O4 c1cc(c(nc1....
19 5FH4 Ki = 174 uM SPV C3 H4 O6 S C(C(=O)C(=....
20 2RKD Ki = 1.9 mM 3PP C3 H7 O5 P C(CP(=O)(O....
21 3MOH Ki = 1460 uM PGA C2 H5 O6 P C(C(=O)O)O....
22 2RK8 Ki = 230 uM PPF C H3 O5 P C(=O)(O)P(....
23 5V9G Ki = 441 uM OXL C2 O4 C(=O)(C(=O....
24 5FH5 - PGA C2 H5 O6 P C(C(=O)O)O....
25 5V9F Ki = 37 uM SPV C3 H4 O6 S C(C(=O)C(=....
26 4YW9 Ki = 45 uM 1WD C6 H5 N O2 S c1cc(c(nc1....
27 3MOE Ki = 50 uM SPV C3 H4 O6 S C(C(=O)C(=....
28 2RK7 Ki = 89 uM OXL C2 O4 C(=O)(C(=O....
29 4GNM - OXL C2 O4 C(=O)(C(=O....
30 2QF1 - OAA C4 H3 O5 C(C(=O)C(=....
31 5FH2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
32 2RKA Ki = 1 mM PGA C2 H5 O6 P C(C(=O)O)O....
33 1M51 ic50 = 18.8 uM TSX C21 H25 N5 O3 CCCCN1c2c(....
34 1NHX ic50 ~ 2.11 uM FTB C25 H26 F N5 O3 CCCCN1c2c(....
35 4GMZ - SPV C3 H4 O6 S C(C(=O)C(=....
36 4OX2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
37 5FH0 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
38 5V97 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
39 1KHB - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
40 3DT4 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
41 2RKE Ki = 82.5 uM SAT C2 H4 O5 S C(C(=O)O)S....
42 2QEY - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
43 4YWB - OXD C2 H2 O4 C(=O)(C(=O....
44 2GMV ic50 = 0.63 uM UN8 C27 H28 F N7 O4 S CCCCN1c2c(....
45 1KHE - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
46 2QZY - PEP C3 H5 O6 P C=C(C(=O)O....
47 2FAH Ki = 50 mM MLA C3 H4 O4 C(C(=O)O)C....
50% Homology Family (48)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4R43 Kd = 9.3 uM GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
2 4GMW - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
3 4GNO - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
4 5FH1 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
5 4GNL - PEP C3 H5 O6 P C=C(C(=O)O....
6 4GNP - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
7 3DT2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
8 5V9H - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
9 3MOF Ki = 860 uM OXL C2 O4 C(=O)(C(=O....
10 4GNQ - OXL C2 O4 C(=O)(C(=O....
11 2QF2 - OAA C4 H3 O5 C(C(=O)C(=....
12 4GMM - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
13 3DT7 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
14 3DTB - GDP C10 H15 N5 O11 P2 c1nc2c(n1[....
15 5FH3 Ki = 970 uM OXL C2 O4 C(=O)(C(=O....
16 4GMU - OXL C2 O4 C(=O)(C(=O....
17 1KHF - PEP C3 H5 O6 P C=C(C(=O)O....
18 4YW8 - 1WD C6 H5 N O2 S c1cc(c(nc1....
19 4YWD - NTM C7 H5 N O4 c1cc(c(nc1....
20 5FH4 Ki = 174 uM SPV C3 H4 O6 S C(C(=O)C(=....
21 2RKD Ki = 1.9 mM 3PP C3 H7 O5 P C(CP(=O)(O....
22 3MOH Ki = 1460 uM PGA C2 H5 O6 P C(C(=O)O)O....
23 2RK8 Ki = 230 uM PPF C H3 O5 P C(=O)(O)P(....
24 5V9G Ki = 441 uM OXL C2 O4 C(=O)(C(=O....
25 5FH5 - PGA C2 H5 O6 P C(C(=O)O)O....
26 5V9F Ki = 37 uM SPV C3 H4 O6 S C(C(=O)C(=....
27 4YW9 Ki = 45 uM 1WD C6 H5 N O2 S c1cc(c(nc1....
28 3MOE Ki = 50 uM SPV C3 H4 O6 S C(C(=O)C(=....
29 2RK7 Ki = 89 uM OXL C2 O4 C(=O)(C(=O....
30 4GNM - OXL C2 O4 C(=O)(C(=O....
31 2QF1 - OAA C4 H3 O5 C(C(=O)C(=....
32 5FH2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
33 2RKA Ki = 1 mM PGA C2 H5 O6 P C(C(=O)O)O....
34 1M51 ic50 = 18.8 uM TSX C21 H25 N5 O3 CCCCN1c2c(....
35 1NHX ic50 ~ 2.11 uM FTB C25 H26 F N5 O3 CCCCN1c2c(....
36 4GMZ - SPV C3 H4 O6 S C(C(=O)C(=....
37 4OX2 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
38 5FH0 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
39 5V97 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
40 1KHB - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
41 3DT4 - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
42 2RKE Ki = 82.5 uM SAT C2 H4 O5 S C(C(=O)O)S....
43 2QEY - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
44 4YWB - OXD C2 H2 O4 C(=O)(C(=O....
45 2GMV ic50 = 0.63 uM UN8 C27 H28 F N7 O4 S CCCCN1c2c(....
46 1KHE - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
47 2QZY - PEP C3 H5 O6 P C=C(C(=O)O....
48 2FAH Ki = 50 mM MLA C3 H4 O4 C(C(=O)O)C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PEP; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 PEP 1 1
2 UVW 0.44 0.709677
Ligand no: 2; Ligand: UN8; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 UN8 1 1
2 FTB 0.682692 0.764045
3 TSX 0.431034 0.703297
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GMV; Ligand: UN8; Similar sites found with APoc: 483
This union binding pocket(no: 1) in the query (biounit: 2gmv.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 1TU3 GNP None
2 1R2Q GNP None
3 5H7J GCP 0.96
4 5EE7 5MV 1.32743
5 6G14 G4P 1.36054
6 1MKY GDP 1.36674
7 6B4K ANP 1.39535
8 1PUJ GNP 1.41844
9 4RD0 GDP 1.44578
10 2WHX ADP 1.45631
11 5ZXD ATP 1.4652
12 2CE7 ADP 1.47059
13 1H65 GDP 1.48148
14 5H7K GDP 1.51134
15 5M7P ADP 1.54185
16 5OSW DIU 1.54374
17 2ZPA ADP 1.6
18 2OZE AGS 1.67785
19 4DCT GDP 1.75439
20 2FSH ANP 1.76
21 6C90 ADP 1.76
22 5IRN ADP 1.76
23 1WDT GTP 1.76
24 3BD9 A3P 1.78571
25 2XZ9 PYR 1.85185
26 2GDJ ANP 1.89394
27 2D7D ADP 1.92
28 2ZJ5 ADP 1.92
29 2IS6 ADP 1.92
30 3P4X ADP 1.93705
31 2ACV UDP 1.94384
32 4U8P UDP 1.94932
33 1G7S GDP 2.0202
34 6CB2 OLC 2.04778
35 5MZN ADP 2.08
36 4YS0 ADP 2.08
37 3RC3 ANP 2.08
38 6FAA ADP 2.08
39 1VKJ A3P 2.10526
40 2XTN GTP 2.13675
41 2I4I AMP 2.15827
42 2ZFI ADP 2.18579
43 4ZNL BEF ADP 2.18978
44 4P4T GDP 2.22222
45 4PJ3 ANP 2.24
46 2XAU ADP 2.24
47 1G41 ADP 2.25225
48 1GOJ ADP 2.25352
49 3W68 4PT 2.25564
50 1XKV ATP 2.26843
51 2VVG ADP 2.28571
52 1UAD GNP 2.28571
53 1T5C ADP 2.29226
54 4AG5 ADP 2.29592
55 1F9V ADP 2.30548
56 4J0Q GDP 2.30947
57 3TMK T5A 2.31481
58 3A1S GDP 2.32558
59 2XT3 ADP 2.32558
60 4KFU ACP 2.35849
61 1M7G AV2 2.36967
62 4R2I ANP 2.38095
63 1U8Z GDP 2.38095
64 2ZTS ADP 2.39044
65 2D2F ADP 2.4
66 1YQT ADP 2.41636
67 1KK1 GNP 2.43902
68 1R0X ATP 2.44755
69 2J5V PCA 2.45232
70 4IHQ ADP 2.53411
71 5TSH ADP 2.56
72 5TSH ANP 2.56
73 3Q3H UDP 2.56
74 5GVR LMR 2.5641
75 5YV5 ADP 2.61194
76 5KSP GDP 2.63158
77 5UIV ADP 2.64317
78 4H1V GNP 2.71003
79 1QHG ATP 2.72
80 1LVK MNT BEF 2.72
81 3TK1 GDP 2.72727
82 5FG3 GDP 2.72873
83 1MR3 G3D 2.76243
84 1D2E GDP 2.77078
85 5WC2 ADP 2.77778
86 3I6B KDO 2.77778
87 4OHY ANP 2.78422
88 2OG2 MLI 2.78552
89 1NJF ADP 2.8
90 1NJF AGS 2.8
91 3MD0 GDP 2.8169
92 5JCP GDP ALF 2.86396
93 1X6V ADP 2.88
94 1ION ADP 2.88066
95 2OBM ADP 2.88184
96 1E4I NFG 2.90828
97 1V8K ANP 2.92683
98 5X3R 7Y3 2.92683
99 1GWN GTP 2.92683
100 3FKQ ATP 2.94906
101 5BN3 ADP 2.98246
102 3A4M ADP 3.07692
103 3REF GDP 3.09278
104 2NCD ADP 3.09524
105 1M2Z BOG 3.11284
106 1OXV ANP 3.11615
107 2O0J ADP 3.11688
108 5W76 GDP 3.11688
109 1DAK ADP 3.125
110 1DAK DPU 3.125
111 3KJI ADP 3.14961
112 4KVA GTP 3.15534
113 3GJ0 GDP 3.16742
114 3GJ3 GDP 3.16742
115 3GJ5 GDP 3.16742
116 5BQ5 ADP BEF 3.1746
117 2BIF ANP 3.19829
118 2BIF SIN 3.19829
119 1VG1 GDP 3.24324
120 4LJ9 ACP 3.24484
121 1M7B GTP 3.26087
122 1XP8 AGS 3.27869
123 3B9Q MLI 3.31126
124 1G6O ADP 3.33333
125 5L3V GDP 3.34448
126 4JLV ADP 3.34572
127 4A4Z ANP 3.36
128 2OFW ADX 3.36538
129 4FRZ ADP 3.36788
130 1JJV ATP 3.39806
131 4LYA ATP 3.39893
132 2QEN ADP 3.42857
133 1KO8 6PG 3.42857
134 2A5F GTP 3.42857
135 1B0U ATP 3.43511
136 2QZ4 ADP 3.43511
137 5HCN GCP 3.44828
138 3Q9L ATP 3.46154
139 3TTM PUT 3.46821
140 4IEE AGS 3.46939
141 3DC4 ADP 3.48837
142 2IYL GDP 3.52113
143 4M9Q GNP 3.52423
144 5ZB0 ADP 3.53535
145 5ZB0 TYD 3.53535
146 4FCW ADP 3.53698
147 2CHG ANP 3.53982
148 4ZDJ UTP 3.57751
149 5LB3 ADP 3.59551
150 6CS8 F9Y 3.63036
151 5GQI CTP 3.64372
152 5L3R GCP 3.65448
153 3LRE ADP 3.66197
154 1A4R GNH 3.66492
155 1A4R GDP 3.66492
156 4ITR GDP 3.66492
157 1GRN GDP 3.66492
158 1VHT BA3 3.66972
159 3N5C GDP 3.7037
160 3PCR GTP 3.7037
161 1CR1 TTP 3.71622
162 4LPS GDP 3.71901
163 3EWA ANP 3.72671
164 2XCU C5P 3.74332
165 3TBK ANP 3.78378
166 4NTO 1PW 3.86473
167 2PEZ GGZ 3.91061
168 2PEZ DAT 3.91061
169 2FJU GSP 3.93258
170 1Y3A GDP 3.95137
171 3UIE ANP 4
172 1NST A3P 4
173 3EZ2 ADP 4.0201
174 3DZD ADP 4.07609
175 4QM7 GTP 4.09357
176 1TQ4 GDP 4.11622
177 4B47 GDP 4.13223
178 5NM7 GLY 4.13534
179 1SKQ GDP 4.13793
180 4WZ6 ATP 4.13793
181 3Q85 GNP 4.14201
182 3AB3 GDP 4.14365
183 4QOS ADP 4.15094
184 1SQ5 ADP 4.22078
185 1E2K TMC 4.22961
186 5EXT ADP 4.23077
187 5KSZ GCP 4.24528
188 3R7F CP 4.27632
189 1ZJ6 G3D 4.27807
190 1BG2 ADP 4.30769
191 1W55 GPP 4.31267
192 1R6B ADP 4.32
193 5MVR ADP 4.32099
194 1Y63 ADP 4.34783
195 3GJ8 GDP 4.34783
196 1H74 ILE 4.39189
197 2GKS ADP 4.3956
198 1MID LAP 4.3956
199 4RZ3 ADP 4.40678
200 1D2N ANP 4.41176
201 2C77 GNP 4.44444
202 2QV7 ADP 4.45104
203 2AWN ADP 4.46194
204 2EW1 GNP 4.47761
205 3DKP ADP 4.4898
206 4BQS ADP 4.54545
207 4BQS K2Q 4.54545
208 5OEC GDP 4.56853
209 1Q19 SSC 4.57256
210 5L3W GDP 4.57516
211 1FNN ADP 4.62725
212 5IFS ADP 4.64135
213 1NY5 ADP 4.65116
214 5YT0 GDP 4.67033
215 2CJW GDP 4.6875
216 1Z08 GNP 4.70588
217 5L3S GNP 4.72973
218 1Z2A GDP 4.7619
219 1XMV ADP 4.77528
220 6H5E ANP 4.78088
221 3B7G ANP 4.78261
222 1ZD9 GDP 4.78723
223 6MVU K4V 4.8
224 2C9O ADP 4.82456
225 5W75 GDP 4.84694
226 1W5T ADP 4.85437
227 1W5T ANP 4.85437
228 5VGR GDP 4.87239
229 2A9K GDP 4.93274
230 4RW3 SHV 4.96689
231 4YMU ATP 5
232 1JJ7 ADP 5
233 5N69 ADP 5.02513
234 2RCN GDP 5.02793
235 6A20 ADP 5.03433
236 4HSE ADP 5.03778
237 2G77 GDP 5.05051
238 6BSX GDP 5.05618
239 2CBZ ATP 5.06329
240 5CK5 GDP 5.06329
241 4R98 GNH 5.16605
242 3BFV ADP 5.16605
243 2HT6 GDP 5.17241
244 1XX6 ADP 5.2356
245 2PZE ATP 5.24017
246 5HR5 ADP 5.27307
247 3TDC 0EU 5.28
248 1G16 GDP 5.29412
249 3WYA GDP 5.29954
250 1YVD GNP 5.32544
251 3RAB GNP 5.32544
252 6GN6 MAL 5.36913
253 2GCO GNP 5.47264
254 2GCN GDP 5.47264
255 2DPY ADP 5.47945
256 4PX9 ADP 5.47945
257 5IRR GSP 5.51948
258 3SFV GDP 5.52486
259 4DKX GDP 5.55556
260 1D5C GDP 5.55556
261 3T1O GDP 5.55556
262 6AIC AMP 5.60748
263 2FH5 GTP 5.60748
264 1SVI GDP 5.64103
265 4XGU ADP 5.66038
266 1RJ9 GCP 5.66667
267 5I34 GDP 5.66893
268 4PPF FLC 5.71429
269 3NKV GNP 5.71429
270 1I4D GDP 5.72917
271 2ZR9 DTP 5.73066
272 4YJ1 ADP 5.76
273 5Z2M GTP 5.7971
274 1Z06 GNP 5.82011
275 5UQW GDP 5.82011
276 5M04 GDP 5.83333
277 1JI0 ATP 5.83333
278 4V03 ADP 5.83658
279 5ZBR ANP 5.86667
280 3KPE TM3 5.88235
281 2BME GNP 5.91398
282 4XTR ADP 5.9322
283 4XTR ATP 5.9322
284 4XVU ATP 5.9322
285 5AK0 8V1 5.96154
286 1G4U GDP 5.97826
287 1RRC ADP 5.98007
288 3ZFD ANP 5.98291
289 2WOR 2AN 6
290 1KY3 GDP 6.04396
291 1CXZ GSP 6.04396
292 3FWY ADP 6.05096
293 3DEF GDP 6.10687
294 3GJ7 GDP 6.12245
295 3BOS CDP 6.19835
296 1K6M AGS 6.25
297 3LXR GDP 6.25
298 5KUT GDP 6.34921
299 3W5J GDP 6.37255
300 2GK6 ADP 6.41026
301 3WUR O4B 6.43275
302 3VX3 ADP 6.45161
303 2W2X GSP 6.45161
304 3RWO GDP 6.48649
305 3CNL GNP 6.48855
306 4BAS GNP 6.53266
307 2WMO GTP 6.54206
308 1DAR GDP 6.56
309 4YC7 GNP 6.56168
310 3CF6 SP1 6.58683
311 5O74 GDP 6.59898
312 2YOH WMJ 6.66667
313 5FTB ANP 6.69746
314 5W7Q GDP 6.70241
315 4XSH GSP 6.70391
316 2PL3 ADP 6.77966
317 5XC5 GTP 6.81818
318 5URY PAM 6.84932
319 1IN4 ADP 6.88623
320 1RYH GNP 6.89655
321 4URS C2E 6.91489
322 1HTW ADP 6.96203
323 2KIN ADP 7
324 2F9L GDP 7.03518
325 1B7T ADP 7.05128
326 3AQ4 GDP 7.06522
327 5BXQ GDP 7.08661
328 5GOE GDP 7.109
329 1IHU AF3 7.13073
330 1IHU ADP 7.13073
331 1KK8 BEF ADP 7.14286
332 2X7I CIT 7.14286
333 3DWQ NGC GAL NGA POL AZI 7.14286
334 3IIJ ADP 7.22222
335 4DID GDP 7.23684
336 4NON GDP 7.30769
337 1OIV GDP 7.32984
338 1OIX GDP 7.32984
339 5XDR ADP 7.36
340 2WJG GDP 7.44681
341 3ZIA ATP 7.45098
342 3ZIA ADP 7.45098
343 4D0N GDP 7.5067
344 1VG9 GDP 7.52
345 1VG0 GDP 7.52
346 5IRC GDP 7.52688
347 3COB ADP 7.58808
348 1GXU 2HP 7.69231
349 2BCG GDP 7.72627
350 4G86 BNT 7.74648
351 5HPY GDP 7.75862
352 3CPJ GDP 7.76053
353 1DS6 GDP 7.8125
354 5LX9 OLB 7.81759
355 3B5J 12D 7.81893
356 5JCZ GDP 7.82123
357 3KUD GDP 7.83133
358 2A5J GDP 7.8534
359 4U5X GNP 7.86517
360 2V7Q ATP 7.88382
361 1W0J ADP 7.88382
362 2V7Q ADP 7.88382
363 2CK3 ANP 7.88382
364 2Y65 ADP 7.94521
365 1FP6 ADP 7.95848
366 5LTJ ADP 8
367 3BER AMP 8.03213
368 1QHH ATP 8.05861
369 2HCJ GDP 8.0597
370 5Z69 AGS 8.06452
371 4C4P GNP 8.09249
372 4V1F BQ1 8.13953
373 1HE1 GDP 8.14815
374 1G6H ADP 8.17121
375 3KTA AP5 8.24176
376 1OW3 GDP 8.26446
377 2EFE GNH 8.28729
378 4WZA ACP 8.33333
379 4WZA ADP 8.33333
380 5UPK GNP 8.33333
381 2WJH GDP 8.43373
382 2WJH FLC 8.43373
383 1LVG ADP 8.58586
384 2WIC GNP 8.61423
385 1U0J ADP 8.61423
386 1Z0A GDP 8.62069
387 4E03 ADP 8.73786
388 4YDS ATP 8.77193
389 1W7J ADP BEF 8.8
390 3DOE GTP 8.85417
391 4P3Y GDP 8.88325
392 3U6B GDP 8.88325
393 4PC3 GDP 8.88325
394 5JBQ GDP 8.88325
395 4G5G GDP 8.88325
396 3U6K GDP 8.88325
397 1D8T GDP 8.90585
398 2BVN GNP 8.90585
399 2W58 ADP 8.91089
400 3IO3 ADP 9.1954
401 4LC1 GDP 9.19881
402 3IUY AMP 9.21053
403 2X77 GDP 9.52381
404 1NRJ GTP 9.63303
405 3Q72 GNP 9.63855
406 2QN6 GDP 9.67742
407 1G3Q ADP 9.70464
408 4LHW GNP 9.77011
409 3TKL GTP 10.1124
410 5TAR GDP 10.1351
411 1KAO GDP 10.1796
412 6BCB GSP 10.274
413 2J0V GDP 10.3774
414 5G3Y ADP 10.6195
415 1G7C 5GP 10.6383
416 2VB6 ADP BEF 10.7383
417 1O3Y GTP 10.8434
418 1J2J GTP 10.8434
419 2J59 GTP 10.8434
420 4M6T SAM 10.929
421 2CDN ADP 10.9453
422 4KBF AMP 10.9589
423 1RE0 GDP 10.9756
424 1S9D GDP 10.9756
425 5U32 GDP 11.0169
426 4ZI2 GNP 11.0526
427 3NHB ADP 11.1111
428 4GOJ GNP 11.1111
429 3T5G GDP 11.1842
430 1KSH GDP 11.1842
431 6CRK GDP 11.2676
432 5TB5 GDP 11.3333
433 3CH5 GDP 11.5385
434 4HI0 GDP 11.5578
435 1FZQ GDP 11.6022
436 1YTM ATP 11.6541
437 3PQC GDP 11.7949
438 4V0K GDP 11.8343
439 4F4S EFO 11.8421
440 3BC1 GNP 11.8644
441 4U00 ADP 11.8852
442 3E70 GDP 11.8902
443 4D81 ADP 12.0141
444 3GJ4 GDP 12.1212
445 1Z6T ADP 12.16
446 4WOP CTP 12.4444
447 3EC1 GDP 12.4661
448 3WY9 GDP 12.5
449 2BHW NEX 12.5
450 4TTQ ATP 12.5581
451 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 12.585
452 1OS1 ATP 12.5926
453 1OS1 PYR 12.5926
454 1F6B GDP 12.6263
455 4YLG GDP 12.7168
456 3QBT GNP 12.8571
457 5DI3 GNP 12.973
458 1Z0K GTP 13.0435
459 3KIF GDL 13.2075
460 1OFH ADP 13.2184
461 1Z0F GDP 13.4078
462 6BC0 GSP 14
463 5KDO GDP 14.8649
464 5E95 GDP 15.4639
465 2OM2 GDP 16.6667
466 5E5U MLI 17.0854
467 2NGR GDP 17.094
468 1YRB GDP 17.1756
469 3MJH GTP 17.6471
470 3H4S ADP 17.7778
471 1S8F GDP 18.0791
472 4OGQ 7PH 18.9189
473 4D0G GTP 20.2899
474 1UPT GTP 20.4678
475 5EE5 GTP 20.4678
476 5WLB GNP 20.5882
477 1R4A GNP 20.6061
478 2W83 GTP 20.7792
479 4CVN ADP 24.0876
480 1Z0J GTP 27.1186
481 1YZG GDP 28.4916
482 2HV8 GTP 40.625
483 2D7C GTP 45.2381
Pocket No.: 2; Query (leader) PDB : 2GMV; Ligand: PEP; Similar sites found with APoc: 413
This union binding pocket(no: 2) in the query (biounit: 2gmv.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 1TU3 GNP None
2 5H7J GCP 0.96
3 6G14 G4P 1.36054
4 1MKY GDP 1.36674
5 6B4K ANP 1.39535
6 1PUJ GNP 1.41844
7 2WHX ADP 1.45631
8 5ZXD ATP 1.4652
9 2CE7 ADP 1.47059
10 1H65 GDP 1.48148
11 5H7K GDP 1.51134
12 5M7P ADP 1.54185
13 2ZPA ADP 1.6
14 2OZE AGS 1.67785
15 4DCT GDP 1.75439
16 2FSH ANP 1.76
17 6C90 ADP 1.76
18 5IRN ADP 1.76
19 1WDT GTP 1.76
20 2GDJ ANP 1.89394
21 2D7D ADP 1.92
22 2ZJ5 ADP 1.92
23 2IS6 ADP 1.92
24 3P4X ADP 1.93705
25 1G7S GDP 2.0202
26 5MZN ADP 2.08
27 6FAA ADP 2.08
28 3RC3 ANP 2.08
29 4YS0 ADP 2.08
30 1VKJ A3P 2.10526
31 2XTN GTP 2.13675
32 2I4I AMP 2.15827
33 2ZFI ADP 2.18579
34 4ZNL BEF ADP 2.18978
35 4P4T GDP 2.22222
36 4PJ3 ANP 2.24
37 2XAU ADP 2.24
38 1G41 ADP 2.25225
39 1GOJ ADP 2.25352
40 1XKV ATP 2.26843
41 2VVG ADP 2.28571
42 1T5C ADP 2.29226
43 4AG5 ADP 2.29592
44 1F9V ADP 2.30548
45 4J0Q GDP 2.30947
46 3TMK T5A 2.31481
47 3A1S GDP 2.32558
48 2XT3 ADP 2.32558
49 4KFU ACP 2.35849
50 1M7G AV2 2.36967
51 4R2I ANP 2.38095
52 1BO4 COA 2.38095
53 1U8Z GDP 2.38095
54 2D2F ADP 2.4
55 1YQT ADP 2.41636
56 1KK1 GNP 2.43902
57 1R0X ATP 2.44755
58 2J5V PCA 2.45232
59 4IHQ ADP 2.53411
60 5TSH ADP 2.56
61 5TSH ANP 2.56
62 5GVR LMR 2.5641
63 5YV5 ADP 2.61194
64 5KSP GDP 2.63158
65 5UIV ADP 2.64317
66 4H1V GNP 2.71003
67 1QHG ATP 2.72
68 3TK1 GDP 2.72727
69 5FG3 GDP 2.72873
70 1MR3 G3D 2.76243
71 1D2E GDP 2.77078
72 5WC2 ADP 2.77778
73 4OHY ANP 2.78422
74 2OG2 MLI 2.78552
75 1NJF ADP 2.8
76 1NJF AGS 2.8
77 3MD0 GDP 2.8169
78 5JCP GDP ALF 2.86396
79 1ION ADP 2.88066
80 2OBM ADP 2.88184
81 1V8K ANP 2.92683
82 1GWN GTP 2.92683
83 3FKQ ATP 2.94906
84 5BN3 ADP 2.98246
85 3A4M ADP 3.07692
86 3REF GDP 3.09278
87 2NCD ADP 3.09524
88 1OXV ANP 3.11615
89 5W76 GDP 3.11688
90 2O0J ADP 3.11688
91 1DAK ADP 3.125
92 1DAK DPU 3.125
93 3KJI ADP 3.14961
94 4KVA GTP 3.15534
95 3GJ0 GDP 3.16742
96 3GJ3 GDP 3.16742
97 3GJ5 GDP 3.16742
98 5BQ5 ADP BEF 3.1746
99 1VG1 GDP 3.24324
100 4LJ9 ACP 3.24484
101 1M7B GTP 3.26087
102 1XP8 AGS 3.27869
103 3B9Q MLI 3.31126
104 1G6O ADP 3.33333
105 5L3V GDP 3.34448
106 4JLV ADP 3.34572
107 4A4Z ANP 3.36
108 2OFW ADX 3.36538
109 4FRZ ADP 3.36788
110 1JJV ATP 3.39806
111 4LYA ATP 3.39893
112 1KO8 6PG 3.42857
113 2QEN ADP 3.42857
114 2A5F GTP 3.42857
115 1B0U ATP 3.43511
116 2QZ4 ADP 3.43511
117 5HCN GCP 3.44828
118 1SVM ATP 3.44828
119 3Q9L ATP 3.46154
120 3TTM PUT 3.46821
121 4IEE AGS 3.46939
122 3DC4 ADP 3.48837
123 2IYL GDP 3.52113
124 4M9Q GNP 3.52423
125 5ZB0 ADP 3.53535
126 5ZB0 TYD 3.53535
127 4FCW ADP 3.53698
128 3ITJ CIT 3.5503
129 4ZDJ UTP 3.57751
130 5LB3 ADP 3.59551
131 6CS8 F9Y 3.63036
132 5L3R GCP 3.65448
133 3LRE ADP 3.66197
134 1A4R GNH 3.66492
135 1A4R GDP 3.66492
136 4ITR GDP 3.66492
137 1GRN GDP 3.66492
138 1VHT BA3 3.66972
139 3N5C GDP 3.7037
140 3PCR GTP 3.7037
141 1CR1 TTP 3.71622
142 4LPS GDP 3.71901
143 1NN5 2DT 3.72093
144 1NN5 ANP 3.72093
145 3EWA ANP 3.72671
146 3TBK ANP 3.78378
147 2PEZ DAT 3.91061
148 2FJU GSP 3.93258
149 3UIE ANP 4
150 1NST A3P 4
151 3EZ2 ADP 4.0201
152 2B8T THM 4.03587
153 3DZD ADP 4.07609
154 4QM7 GTP 4.09357
155 1TQ4 GDP 4.11622
156 4B47 GDP 4.13223
157 1SKQ GDP 4.13793
158 4WZ6 ATP 4.13793
159 3Q85 GNP 4.14201
160 4QOS ADP 4.15094
161 1SQ5 ADP 4.22078
162 1E2K TMC 4.22961
163 5EXT ADP 4.23077
164 5KSZ GCP 4.24528
165 3R7F CP 4.27632
166 1ZJ6 G3D 4.27807
167 1BG2 ADP 4.30769
168 1R6B ADP 4.32
169 5MVR ADP 4.32099
170 1Y63 ADP 4.34783
171 3GJ8 GDP 4.34783
172 2GKS ADP 4.3956
173 4RZ3 ADP 4.40678
174 2AWN ADP 4.46194
175 2EW1 GNP 4.47761
176 3DKP ADP 4.4898
177 4BQS K2Q 4.54545
178 4BQS ADP 4.54545
179 5OEC GDP 4.56853
180 5L3W GDP 4.57516
181 5IFS ADP 4.64135
182 1A99 PUT 4.65116
183 1NY5 ADP 4.65116
184 5YT0 GDP 4.67033
185 2CJW GDP 4.6875
186 1Z08 GNP 4.70588
187 5L3S GNP 4.72973
188 5L3S G 4.72973
189 1Z2A GDP 4.7619
190 1XMV ADP 4.77528
191 6H5E ANP 4.78088
192 3B7G ANP 4.78261
193 1ZD9 GDP 4.78723
194 5W75 GDP 4.84694
195 5VGR GDP 4.87239
196 2A9K GDP 4.93274
197 4YMU ATP 5
198 1JJ7 ADP 5
199 1TIQ COA 5
200 5N69 ADP 5.02513
201 2RCN GDP 5.02793
202 6A20 ADP 5.03433
203 4HSE ADP 5.03778
204 2G77 GDP 5.05051
205 6BSX GDP 5.05618
206 5CK5 GDP 5.06329
207 2CBZ ATP 5.06329
208 4R98 GNH 5.16605
209 3BFV ADP 5.16605
210 2HT6 GDP 5.17241
211 1XX6 ADP 5.2356
212 2PZE ATP 5.24017
213 5HR5 ADP 5.27307
214 1G16 GDP 5.29412
215 3WYA GDP 5.29954
216 1YVD GNP 5.32544
217 9LDT OXM 5.42169
218 2GCO GNP 5.47264
219 2DPY ADP 5.47945
220 4PX9 ADP 5.47945
221 5IRR GSP 5.51948
222 3SFV GDP 5.52486
223 4DKX GDP 5.55556
224 1D5C GDP 5.55556
225 3T1O GDP 5.55556
226 6AIC AMP 5.60748
227 2FH5 GTP 5.60748
228 1SVI GDP 5.64103
229 4XGU ADP 5.66038
230 5I34 GDP 5.66893
231 4PPF FLC 5.71429
232 3NKV GNP 5.71429
233 1I4D GDP 5.72917
234 2ZR9 DTP 5.73066
235 5Z2M GTP 5.7971
236 1Z06 GNP 5.82011
237 5M04 GDP 5.83333
238 1JI0 ATP 5.83333
239 4V03 ADP 5.83658
240 5ZBR ANP 5.86667
241 4XTR ADP 5.9322
242 1G4U GDP 5.97826
243 1RRC ADP 5.98007
244 3ZFD ANP 5.98291
245 1KY3 GDP 6.04396
246 1CXZ GSP 6.04396
247 3FWY ADP 6.05096
248 3DEF GDP 6.10687
249 3GJ7 GDP 6.12245
250 1W4R TTP 6.15385
251 3BOS CDP 6.19835
252 3LXR GDP 6.25
253 1K6M AGS 6.25
254 6CEP OXM 6.28743
255 5KUT GDP 6.34921
256 3W5J GDP 6.37255
257 2GK6 ADP 6.41026
258 3VX3 ADP 6.45161
259 2W2X GSP 6.45161
260 3RWO GDP 6.48649
261 3CNL GNP 6.48855
262 4BAS GNP 6.53266
263 2WMO GTP 6.54206
264 1DAR GDP 6.56
265 5O74 GDP 6.59898
266 2YOH WMJ 6.66667
267 5FTB ANP 6.69746
268 5W7Q GDP 6.70241
269 4XSH GSP 6.70391
270 2PL3 ADP 6.77966
271 1YLH PYR 6.78571
272 1IN4 ADP 6.88623
273 1RYH GNP 6.89655
274 1HTW ADP 6.96203
275 2KIN ADP 7
276 2F9L GDP 7.03518
277 1B7T ADP 7.05128
278 3AQ4 GDP 7.06522
279 5BXQ GDP 7.08661
280 5GOE GDP 7.109
281 1IHU ADP 7.13073
282 2X7I CIT 7.14286
283 1KK8 BEF ADP 7.14286
284 3IIJ ADP 7.22222
285 4DID GDP 7.23684
286 4NON GDP 7.30769
287 1OIV GDP 7.32984
288 5XDR ADP 7.36
289 2WJG GDP 7.44681
290 3ZIA ATP 7.45098
291 3ZIA ADP 7.45098
292 4D0N GDP 7.5067
293 1VG9 GDP 7.52
294 1VG0 GDP 7.52
295 5IRC GDP 7.52688
296 2QG6 NMN 7.53769
297 3COB ADP 7.58808
298 1GXU 2HP 7.69231
299 2BCG GDP 7.72627
300 5HPY GDP 7.75862
301 3CPJ GDP 7.76053
302 1DS6 GDP 7.8125
303 3B5J 12D 7.81893
304 5JCZ GDP 7.82123
305 3KUD GDP 7.83133
306 2A5J GDP 7.8534
307 4U5X GNP 7.86517
308 2V7Q ATP 7.88382
309 1W0J ADP 7.88382
310 2CK3 ANP 7.88382
311 2V7Q ADP 7.88382
312 2Y65 ADP 7.94521
313 1FP6 ADP 7.95848
314 3BER AMP 8.03213
315 1QHH ATP 8.05861
316 2HCJ GDP 8.0597
317 1HE1 GDP 8.14815
318 1G6H ADP 8.17121
319 1OW3 GDP 8.26446
320 2EFE GNH 8.28729
321 2WJH GDP 8.43373
322 2WJH FLC 8.43373
323 2ORV 4TA 8.54701
324 1LVG ADP 8.58586
325 2WIC GNP 8.61423
326 1U0J ADP 8.61423
327 1Z0A GDP 8.62069
328 4E03 ADP 8.73786
329 4YDS ATP 8.77193
330 1W7J ADP BEF 8.8
331 3DOE GTP 8.85417
332 4P3Y GDP 8.88325
333 3U6B GDP 8.88325
334 4PC3 GDP 8.88325
335 4G5G GDP 8.88325
336 5JBQ GDP 8.88325
337 3U6K GDP 8.88325
338 1D8T GDP 8.90585
339 2BVN GNP 8.90585
340 2W58 ADP 8.91089
341 3IO3 ADP 9.1954
342 4LC1 GDP 9.19881
343 3IUY AMP 9.21053
344 2X77 GDP 9.52381
345 1NRJ GTP 9.63303
346 3Q72 GNP 9.63855
347 2QN6 GDP 9.67742
348 1G3Q ADP 9.70464
349 4LHW GNP 9.77011
350 3TKL GTP 10.1124
351 5TAR GDP 10.1351
352 1KAO GDP 10.1796
353 2J0V GDP 10.3774
354 5G3Y ADP 10.6195
355 1G7C 5GP 10.6383
356 1P72 ADP 10.7784
357 1O3Y GTP 10.8434
358 2J59 GTP 10.8434
359 1J2J GTP 10.8434
360 4M6T SAM 10.929
361 2CDN ADP 10.9453
362 4KBF AMP 10.9589
363 1S9D GDP 10.9756
364 1RE0 GDP 10.9756
365 5U32 GDP 11.0169
366 4ZI2 GNP 11.0526
367 3NHB ADP 11.1111
368 4GOJ GNP 11.1111
369 3T5G GDP 11.1842
370 1KSH GDP 11.1842
371 5TB5 GDP 11.3333
372 3CH5 GDP 11.5385
373 4HI0 GDP 11.5578
374 1FZQ GDP 11.6022
375 1YTM OXD 11.6541
376 1YTM ATP 11.6541
377 3PQC GDP 11.7949
378 4V0K GDP 11.8343
379 4U00 ADP 11.8852
380 3E70 GDP 11.8902
381 4D81 ADP 12.0141
382 3GJ4 GDP 12.1212
383 1Z6T ADP 12.16
384 3EC1 GDP 12.4661
385 3WY9 GDP 12.5
386 4TTQ ATP 12.5581
387 1OS1 ATP 12.5926
388 1OS1 PYR 12.5926
389 1F6B GDP 12.6263
390 4YLG GDP 12.7168
391 4XQM MAN 12.766
392 5DI3 GNP 12.973
393 1OFH ADP 13.2184
394 1Z0F GDP 13.4078
395 5KDO GDP 14.8649
396 5E95 GDP 15.4639
397 3H86 AP5 15.625
398 2OM2 GDP 16.6667
399 2NGR GDP 17.094
400 1YRB GDP 17.1756
401 3MJH GTP 17.6471
402 3H4S ADP 17.7778
403 1S8F GDP 18.0791
404 4D0G GTP 20.2899
405 1UPT GTP 20.4678
406 5EE5 GTP 20.4678
407 5WLB GNP 20.5882
408 1R4A GNP 20.6061
409 2W83 GTP 20.7792
410 4CVN ADP 24.0876
411 5C2N NAG 25
412 1YZG GDP 28.4916
413 2HV8 GTP 40.625
Pocket No.: 3; Query (leader) PDB : 2GMV; Ligand: PEP; Similar sites found with APoc: 47
This union binding pocket(no: 3) in the query (biounit: 2gmv.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 4PZ2 NAD 1.31086
2 3ICT FAD 1.36054
3 2IGA XXP 1.64384
4 2IGA XX2 1.64384
5 2IGA XX3 1.64384
6 1MO9 KPC 1.91205
7 1MO9 FAD 1.91205
8 1QPG MAP 2.16867
9 1F06 NDP 2.1875
10 1F06 2NP 2.1875
11 1NZY BCA 2.23048
12 3RUV ANP 2.39411
13 1MS9 LAT 2.4
14 3BMN NAP 2.43056
15 1IM8 SAI 2.45902
16 2JEN GLC GLC XYS XYS 2.68199
17 1H41 GCV 2.72
18 5UCD NAP 2.84464
19 4O6M C5P 3.22581
20 3NTA FAD 3.3101
21 3NT6 FAD 3.3101
22 3NTD FAD 3.36283
23 2BJK NAD 3.48837
24 3CGB FAD 3.54167
25 4I42 1HA 3.85965
26 1YQZ FAD 4.3379
27 2V58 LZJ 4.45434
28 5KF6 NAD 4.64
29 2VAR KDG 4.79233
30 2VAR KDF 4.79233
31 3HBN UDP 4.96454
32 5Y0N ATP 5.05747
33 1JQ3 AAT 5.06757
34 5KF9 NAG 5.18293
35 5KF9 COA 5.18293
36 4YV5 SVR 5.7377
37 2WOX NDP 5.93047
38 2VHL GLP 6.06061
39 4I4Z 2NE 6.18182
40 4QIJ 1HA 6.28743
41 6AM8 PLT 7.32323
42 6AMI TRP 7.32323
43 1W5F G2P 7.36544
44 1V1A KDG 9.06149
45 4IZC 1GZ 9.45455
46 5VM6 9EG 17.5182
47 3LDQ 3P1 29.8246
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