Receptor
PDB id Resolution Class Description Source Keywords
1KC7 2.2 Å EC: 2.7.9.1 PYRUVATE PHOSPHATE DIKINASE WITH BOUND MG-PHOSPHONOPYRUVATE CLOSTRIDIUM SYMBIOSUM TRANSFERASE PHOSPHOTRANSFERASE KINASE PHOSPHONOPYRUVATE I
Ref.: PYRUVATE SITE OF PYRUVATE PHOSPHATE DIKINASE: CRYST STRUCTURE OF THE ENZYME-PHOSPHONOPYRUVATE COMPLEX, MUTANT ANALYSIS BIOCHEMISTRY V. 41 780 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:1001;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
PPR A:1000;
Valid;
none;
Ki = 3 uM
168.042 C3 H5 O6 P C(C(=...
SO4 A:1002;
A:1003;
A:1004;
A:1005;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1KC7 2.2 Å EC: 2.7.9.1 PYRUVATE PHOSPHATE DIKINASE WITH BOUND MG-PHOSPHONOPYRUVATE CLOSTRIDIUM SYMBIOSUM TRANSFERASE PHOSPHOTRANSFERASE KINASE PHOSPHONOPYRUVATE I
Ref.: PYRUVATE SITE OF PYRUVATE PHOSPHATE DIKINASE: CRYST STRUCTURE OF THE ENZYME-PHOSPHONOPYRUVATE COMPLEX, MUTANT ANALYSIS BIOCHEMISTRY V. 41 780 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1KC7 Ki = 3 uM PPR C3 H5 O6 P C(C(=O)C(=....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1KC7 Ki = 3 uM PPR C3 H5 O6 P C(C(=O)C(=....
2 1VBH - PEP C3 H5 O6 P C=C(C(=O)O....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1KC7 Ki = 3 uM PPR C3 H5 O6 P C(C(=O)C(=....
2 1VBH - PEP C3 H5 O6 P C=C(C(=O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PPR; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 PPR 1 1
2 PAE 0.571429 0.866667
3 DCO 0.5 0.722222
4 KPA 0.5 0.875
5 7VD 0.478261 0.806452
6 HPV 0.413793 0.903226
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1KC7; Ligand: PPR; Similar sites found: 652
This union binding pocket(no: 1) in the query (biounit: 1kc7.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VKL MLT 0.01824 0.40096 None
2 3LIH RAF 0.002026 0.44947 1.1041
3 1H16 DTL 0.007421 0.41173 1.18577
4 2ZWS PLM 0.0007492 0.48025 1.23839
5 4ARF IP8 GLY PRO ALA 0.007983 0.41804 1.26904
6 4MWV BCZ 0.002177 0.47356 1.28866
7 1U1J MET 0.003984 0.40503 1.30719
8 1ZCB GDP 0.01459 0.41792 1.38122
9 2NCD ADP 0.0009136 0.43112 1.42857
10 4RNX FMN 0.01659 0.40821 1.5
11 3UH0 TSB 0.000327 0.49426 1.52174
12 3IL6 B83 0.01774 0.40773 1.55763
13 1Q19 SSC 0.004096 0.42815 1.59046
14 1R89 CTP 0.0167 0.40339 1.60183
15 2ZPA ADP 0.02452 0.40397 1.63934
16 2VF7 ADP 0.009712 0.42034 1.66271
17 3UCJ AZM 0.001361 0.44256 1.76211
18 2BGM MAX 0.005821 0.43702 1.79856
19 2BGM NAJ 0.03466 0.42779 1.79856
20 3HQP OXL 0.00008663 0.50279 1.80361
21 1W96 S1A 0.008002 0.42946 1.80505
22 2Z48 A2G 0.005288 0.40991 1.85185
23 3C1O NAP 0.009531 0.42686 1.86916
24 3JDW ORN 0.0007405 0.46503 1.89125
25 2W1A TSA 0.002361 0.43477 1.90678
26 2IHT TPP 0.02583 0.40581 1.91972
27 1QFY NAP 0.04315 0.40417 1.94805
28 3MAG 3MA 0.003593 0.4353 1.9544
29 3DAG FEG 0.0003203 0.49837 1.95531
30 4M2K PLP 0.003905 0.42236 1.97044
31 8CAT NDP 0.009956 0.42116 1.97628
32 2WPF WPF 0.04391 0.43265 2.0202
33 3TFC PEP 0.0007409 0.40368 2.07792
34 2OO0 PLP 0.009641 0.42363 2.12314
35 3AHC TPP 0.01633 0.42243 2.13018
36 3W8X FAD 0.005372 0.46249 2.13675
37 2HCR AMP 0.0009962 0.45283 2.14724
38 2QS8 MET 0.005106 0.44557 2.15311
39 1F8F NAD 0.004558 0.47214 2.15633
40 1AFS NAP 0.02141 0.41694 2.16718
41 1JWY ADP 0.01388 0.40921 2.1764
42 2V9M CIT 0.004702 0.42146 2.18978
43 1FDJ 13P 0.002272 0.42317 2.20386
44 1FDJ 2FP 0.009461 0.4103 2.20386
45 3H4T UDP 0.01296 0.4132 2.22772
46 1GPJ CIT 0.001552 0.40956 2.22772
47 4B16 NAG 0.008334 0.41755 2.25564
48 1YS4 NAP 0.01258 0.41805 2.25989
49 1P9B HDA 0.0002151 0.4709 2.26244
50 1P9B IMO 0.0171 0.41479 2.26244
51 1P9B GDP 0.02172 0.40781 2.26244
52 4P05 4NS 0.0122 0.41867 2.27671
53 2HGZ PBF 0.001486 0.46506 2.28758
54 4W6Z 8ID 0.03222 0.41813 2.30548
55 4AQL TXC 0.0008829 0.46388 2.31092
56 1QF5 GDP 0.00141 0.4932 2.32019
57 1QF5 RPL 0.00141 0.4932 2.32019
58 2HGS ADP 0.0005436 0.48199 2.32068
59 2HGS GSH 0.004554 0.42692 2.32068
60 3A7R LAQ 0.02691 0.41624 2.37389
61 2WM1 13P 0.001721 0.43506 2.38095
62 1PZ1 NAP 0.01433 0.42293 2.4024
63 1PIG AGL GLC HMC AGL GLC BGC 0.02237 0.42721 2.41935
64 3IB8 AMP 0.001906 0.44402 2.42424
65 1R0X ATP 0.02003 0.42156 2.44755
66 1ZQ9 SAM 0.01019 0.4249 2.45614
67 1C0I FAD 0.006649 0.45723 2.47934
68 1C0I BE2 0.006649 0.45723 2.47934
69 3R51 MMA 0.006022 0.41593 2.5
70 2DKH FAD 0.002185 0.46869 2.50391
71 2DKH 3HB 0.005047 0.45758 2.50391
72 1WVG APR 0.007673 0.43981 2.50696
73 1WVG CXY 0.004563 0.43873 2.50696
74 3S2Y FMN 0.002448 0.4457 2.51256
75 1Y7I SAL 0.00223 0.43014 2.52005
76 1V5F TPP 0.0307 0.45947 2.54669
77 3N5O GSH 0.007116 0.42433 2.55319
78 1ZRH A3P 0.001471 0.4687 2.55474
79 2H04 4UN 0.01236 0.4148 2.55591
80 1ORR NAD 0.04559 0.40191 2.59366
81 1WRA PC 0.001555 0.42641 2.5974
82 1P7T PYR 0.00001051 0.55739 2.59918
83 2BGS NDP 0.007965 0.44495 2.61628
84 1D8C GLV 0.00008034 0.52292 2.62794
85 1KWK GAL 0.005394 0.42988 2.63566
86 3CL5 SIO 0.001545 0.42653 2.65252
87 4B9E FAH 0.0009322 0.43581 2.65781
88 2VJJ RAM GLC GAL NAG NAG GLC 0.04112 0.41948 2.66667
89 3VKX T3 0.02002 0.40612 2.68199
90 1WDA BAG 0.0003216 0.40952 2.68657
91 4C2G ALA ALA ALA ALA 0.0001258 0.41936 2.69058
92 4M5P MLA 0.001831 0.4495 2.7027
93 4M5P 23W 0.003896 0.41672 2.7027
94 2HVW DCP 0.0003652 0.47641 2.71739
95 2HVW DDN 0.006208 0.42084 2.71739
96 3SUC ATP 0.01238 0.41034 2.72021
97 1DLJ NAI 0.0034 0.47548 2.73632
98 1DLJ UGA 0.005766 0.46375 2.73632
99 1Q3Q ANP 0.0008565 0.51118 2.73723
100 3I7S PYR 0.0004003 0.44169 2.73973
101 4DQ2 BTX 0.003483 0.45356 2.7439
102 5T0A A3P 0.001019 0.45238 2.74566
103 3FPZ AHZ 0.003824 0.48918 2.76074
104 3ZTV ADN 0.0178 0.40008 2.76339
105 2ZJ5 ADP 0.001204 0.40738 2.77778
106 1YOE RIB 0.0004036 0.46584 2.79503
107 2PNZ UDP 0.01086 0.42564 2.81124
108 2J8Z NAP 0.02337 0.41363 2.82486
109 1B9I PXG 0.001206 0.46762 2.83505
110 2D37 NAD 0.008743 0.43296 2.84091
111 2D37 FMN 0.008178 0.43296 2.84091
112 3DDN HPV 0.00431 0.41456 2.84091
113 4G9E C4L 0.01241 0.41198 2.86738
114 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.008125 0.44825 2.88462
115 2OYS FMN 0.01214 0.41712 2.89256
116 3ZOK NAD 0.03791 0.40103 2.91005
117 2FMD MAN MAN 0.007263 0.42578 2.91667
118 3CL7 HYN 0.03349 0.40083 2.92208
119 2IUW AKG 0.006609 0.41227 2.94118
120 2YCJ C2F 0.01842 0.4006 2.95203
121 2PT9 2MH 0.001565 0.47705 2.97824
122 2PT9 S4M 0.001214 0.4709 2.97824
123 3H7U NAP 0.02273 0.41306 2.98507
124 2NLI LAC 0.003509 0.47477 2.98913
125 2NLI FMN 0.003509 0.47477 2.98913
126 3OIG NAD 0.0467 0.4222 3.00752
127 3OIG IMJ 0.03439 0.40996 3.00752
128 2V7T SAH 0.04419 0.43574 3.01003
129 2CUL FAD 0.02814 0.41976 3.01724
130 4G10 GSH 0.006818 0.42117 3.01887
131 4LWA Q13 0.0218 0.42581 3.0303
132 2Z9V PXM 0.0002464 0.41807 3.06122
133 1NML CIT 0.0004523 0.41564 3.06748
134 3B1Q NOS 0.01442 0.40982 3.06748
135 3HQJ COA 0.01437 0.41021 3.07692
136 1R18 SAH 0.0009658 0.47031 3.0837
137 4BT5 23B 0.0004257 0.46481 3.11284
138 1E7S NAP 0.01772 0.42306 3.11526
139 1SVK ALF GDP 0.0445 0.40046 3.11615
140 1SAZ ACP 0.04558 0.4304 3.14961
141 1KBJ FMN 0.001957 0.46105 3.15534
142 1QS0 TDP 0.01243 0.41492 3.1941
143 1ZGD NAP 0.03221 0.40254 3.20513
144 1Q11 TYE 0.0007016 0.40698 3.22581
145 2XAU ADP 0.01881 0.40104 3.23415
146 3WG6 NDP 0.02217 0.41843 3.25733
147 2D4V NAD 0.0106 0.4398 3.2634
148 1SS4 CIT 0.002371 0.49628 3.26797
149 1SS4 GSH 0.001907 0.46836 3.26797
150 1O68 KIV 0.0006838 0.40751 3.27273
151 3L24 GOA 0.001611 0.44241 3.2882
152 4I71 AGV 0.002665 0.44399 3.33333
153 2J0W ADP 0.003324 0.43753 3.34076
154 2J0W ASP 0.002422 0.41826 3.34076
155 4HZX G39 0.002525 0.47256 3.35052
156 3RFV 15L 0.001859 0.46369 3.37079
157 3RFV NAI 0.003778 0.45045 3.37079
158 4KQI NIO 0.004793 0.44954 3.37079
159 4KQI RBZ 0.004793 0.44954 3.37079
160 3CV2 OXL 0.0000364 0.52516 3.38346
161 2B9F ADP 0.01365 0.41131 3.39943
162 2B9H ADP 0.01569 0.40975 3.39943
163 2HXT EHM 0.0007992 0.46106 3.40136
164 4KCT PYR 0.00008511 0.45287 3.40681
165 1OTH PAO 0.006856 0.44322 3.42679
166 1O9U ADZ 0.004561 0.42152 3.42857
167 2YVF NAD 0.0009962 0.51089 3.43137
168 2YVF FAD 0.0009634 0.51089 3.43137
169 3B1F NAD 0.001398 0.4628 3.44828
170 3MGB PAP 0.005054 0.44142 3.44828
171 1PDZ PGA 0.003817 0.40127 3.45622
172 1I2B UPG 0.009186 0.45643 3.46535
173 1I2B NAD 0.009186 0.45643 3.46535
174 1I2B USQ 0.009186 0.45643 3.46535
175 2ZJ3 G6P 0.0003983 0.48419 3.46667
176 1OAA OAA 0.004653 0.46326 3.4749
177 4AIG FLX 0.001888 0.4391 3.48259
178 2DX7 CIT 0.01351 0.40307 3.50877
179 3WQT ANP 0.00482 0.4446 3.5124
180 1O6B ADP 0.01533 0.43797 3.5503
181 2C42 PYR 0.0217 0.42323 3.55097
182 3A8U PLP 0.01772 0.41406 3.56347
183 1TRD PGH 0.005429 0.42115 3.6
184 3Q9T FAY 0.001578 0.4816 3.63951
185 2C49 ADN 0.008375 0.42805 3.64238
186 1V35 NAI 0.005971 0.45591 3.64742
187 3A4T SFG 0.02583 0.40129 3.64964
188 1OIK C26 0.0008383 0.46258 3.65448
189 1VP5 NAP 0.01943 0.41813 3.69128
190 2C31 TZD 0.0142 0.45604 3.69718
191 2C31 ADP 0.01386 0.45604 3.69718
192 1Y4Z PCI 0.0009026 0.4364 3.71094
193 1R27 MGD 0.02348 0.4213 3.71094
194 2X4Z X4Z 0.0323 0.40126 3.71622
195 2QDT I38 0.001532 0.45067 3.71747
196 4CIB 7UZ 0.0008321 0.44548 3.73626
197 4KCF FMN 0.001085 0.45749 3.74449
198 4KCF AKM 0.003075 0.44848 3.74449
199 1TDF NAP 0.0005689 0.52937 3.79747
200 1TDF FAD 0.0009083 0.50194 3.79747
201 1JE1 GMP 0.03533 0.40361 3.81356
202 2Z6D FMN 0.01096 0.41562 3.84615
203 4RJK PYR 0.0006335 0.45156 3.85289
204 3A2Q ACA ACA 0.0009797 0.46181 3.85396
205 2X61 NGA GAL SIA 0.01352 0.44914 3.87597
206 2X61 CH 0.01365 0.43601 3.87597
207 1V1A ADP 0.002186 0.4633 3.8835
208 1V1A KDG 0.00359 0.42937 3.8835
209 3KRB NAP 0.01956 0.41654 3.89222
210 1DSS NAD 0.003953 0.44654 3.9039
211 3ZRR PXG 0.00122 0.46168 3.90625
212 3VPD ANP 0.01248 0.41657 3.91459
213 1XVV CCQ 0.009847 0.4431 3.92157
214 1XE7 GUN 0.003295 0.42805 3.94089
215 2G50 PYR 0.0001152 0.49487 3.96226
216 4M51 BEZ 0.0008951 0.44494 3.98126
217 1RRC ADP 0.004469 0.43915 3.98671
218 1BGQ RDC 0.0009661 0.47725 4
219 4RNV HBA 0.01003 0.41552 4
220 3JYN NDP 0.03289 0.40897 4
221 3PY5 AMP 0.01761 0.40773 4.0146
222 4HA9 NDP 0.026 0.40533 4.01606
223 3I54 CMP 0.02153 0.4007 4.01606
224 4IVG ANP 0.01058 0.45025 4.01855
225 1R37 NAD 0.008172 0.44184 4.03458
226 1R37 ETX 0.002968 0.4182 4.03458
227 3WO0 ALA 0.007953 0.44463 4.04255
228 3WO0 ADP 0.007953 0.44463 4.04255
229 1W55 C 0.007566 0.45608 4.04313
230 1JIL 485 0.01704 0.40855 4.04762
231 4IP7 FLC 0.00007808 0.50697 4.05157
232 3EJ0 11X 0.0009606 0.40402 4.08163
233 1F74 NAY 0.0005387 0.47131 4.09556
234 2Q1A 2KT 0.001499 0.4145 4.09556
235 1EDO NAP 0.01226 0.45772 4.09836
236 2OI2 DP6 0.002762 0.43431 4.10959
237 3BS8 PMP 0.002828 0.43385 4.10959
238 2XDQ MGX 0.006661 0.41391 4.10959
239 1H9G COA MYR 0.00002071 0.5568 4.11523
240 1NOW IFG 0.0104 0.40087 4.14201
241 1N9G NAP 0.01691 0.42358 4.14508
242 4IS0 1R4 0.001326 0.46386 4.14938
243 4IS0 GDS 0.003913 0.43428 4.14938
244 1HFA PIO 0.001454 0.48387 4.15225
245 3H86 AP5 0.04752 0.41401 4.16667
246 4JCA CIT 0.01289 0.40833 4.19162
247 2WE5 ADP 0.001006 0.45655 4.19355
248 1UXG NAD 0.004812 0.45757 4.20712
249 1UXG FUM 0.004812 0.45757 4.20712
250 3KVY URA 0.003466 0.41905 4.20712
251 1P9P SAH 0.001544 0.46078 4.21456
252 1NVU GTP 0.004974 0.47018 4.21687
253 9LDT OXM 0.001467 0.45416 4.21687
254 9LDB OXM 0.01172 0.41033 4.21687
255 1CKN GTP 0.01214 0.40058 4.24242
256 1OXV ANP 0.01776 0.4015 4.24929
257 1W78 PD8 0.03278 0.41468 4.2654
258 1W78 ADP 0.01672 0.41468 4.2654
259 4NST ADP 0.01594 0.40585 4.2735
260 2AMV BIN 0.02181 0.4341 4.27553
261 1I9G SAM 0.003635 0.47051 4.28571
262 2F5T MAL 0.0003639 0.4838 4.29185
263 2XUM OGA 0.002382 0.4223 4.29799
264 3P3N AKG 0.00277 0.40338 4.29799
265 2J7T 274 0.003056 0.4563 4.30464
266 3TO7 COA 0.0006565 0.5005 4.34783
267 2ALG DAO 0.0003426 0.48934 4.34783
268 2ALG HP6 0.0003426 0.48934 4.34783
269 3GM5 CIT 0.002822 0.40489 4.35281
270 1PFK ADP 0.003944 0.43199 4.375
271 1XHL NDP 0.02017 0.4203 4.3771
272 1NW5 SAM 0.001287 0.46061 4.38871
273 3UYK 0CX 0.04591 0.40907 4.39277
274 1DKU AP2 0.03411 0.40377 4.4164
275 1QJC PNS 0.003116 0.47947 4.43038
276 1C9K 5GP 0.003785 0.42969 4.44444
277 4R33 TRP 0.003029 0.46177 4.52381
278 4R33 SAH 0.003029 0.46177 4.52381
279 1GAD NAD 0.001187 0.47298 4.54545
280 2FLI DX5 0.0178 0.41372 4.54545
281 4N69 SER 0.002329 0.4054 4.54545
282 4HIA FMN 0.03829 0.40134 4.54545
283 2O2C G6Q 0.00004736 0.40352 4.5677
284 2WQP WQP 0.003399 0.45119 4.58453
285 2CKM AA7 0.002505 0.47481 4.60405
286 3CV7 C2U 0.02352 0.42353 4.61538
287 3CV7 NAP 0.02266 0.42353 4.61538
288 3KCC CMP 0.02624 0.40216 4.61538
289 3F3E LEU 0.005893 0.45214 4.62428
290 3R35 4CO 0.002005 0.46789 4.63576
291 3P7I P7I 0.0001957 0.42192 4.6729
292 1LTH NAD 0.0216 0.43578 4.70219
293 4USQ FAD 0.005202 0.45147 4.70914
294 3KJI ADP 0.003763 0.43292 4.72441
295 3EYA TDP 0.0231 0.40825 4.73588
296 3IID APR 0.006471 0.45057 4.73934
297 1GSA ADP 0.001681 0.48931 4.74684
298 1GSA GSH 0.008613 0.44793 4.74684
299 4N02 FNR 0.004412 0.47131 4.7619
300 1G3M PCQ 0.006232 0.45941 4.7619
301 1EKO NAP 0.01722 0.43357 4.7619
302 1EKO I84 0.0178 0.43357 4.7619
303 3SBZ MLI 0.002749 0.40075 4.7619
304 1KOL NAD 0.001105 0.48692 4.77387
305 2VHW NAI 0.01675 0.42914 4.77454
306 1PL6 NAD 0.0009621 0.47039 4.77528
307 1PL6 572 0.002017 0.47039 4.77528
308 1XMV ADP 0.005358 0.46619 4.77528
309 3FMI KAP 0.006384 0.44082 4.78088
310 4BCS BTN 0.002924 0.43791 4.8
311 3O03 NAP 0.001782 0.46457 4.811
312 3O03 GCO 0.0007924 0.46122 4.811
313 2C7G FAD 0.001005 0.50677 4.82456
314 2C7G ODP 0.000969 0.50677 4.82456
315 4IOK ADP 0.003165 0.45266 4.83005
316 4IOK XPO 0.002506 0.45266 4.83005
317 1T3D CYS 0.00147 0.42743 4.84429
318 3CQD ATP 0.005524 0.45354 4.85437
319 1VR0 3SL 0.001186 0.4452 4.8583
320 2PTZ PAH 0.0004144 0.47648 4.86111
321 2HMT NAI 0.004967 0.46539 4.86111
322 3P0K FAD 0.007344 0.42903 4.88722
323 4OYA 1VE 0.02124 0.45662 4.89362
324 3B9Z CO2 0.00198 0.40985 4.89691
325 1F9V ADP 0.01282 0.40326 4.89914
326 2CI5 HCS 0.0057 0.40373 4.92958
327 1D3V ABH 0.006464 0.43638 4.95356
328 2WN6 NDP 0.02872 0.40373 4.9676
329 2XK9 XK9 0.001861 0.47336 4.96894
330 3U4C NDP 0.002725 0.4587 4.98221
331 3ZS7 ATP 0.00008581 0.51949 5
332 4BAS GNP 0.000847 0.47104 5.02513
333 1P1C SAH 0.006774 0.43793 5.02513
334 1Z42 HBA 0.001172 0.47576 5.02959
335 3IOI 1GW 0.001694 0.47279 5.03356
336 4LSJ LSJ 0.0003833 0.48707 5.03876
337 1ZGA HMK 0.003051 0.43238 5.04202
338 1ZGA SAH 0.005837 0.42857 5.04202
339 3H22 B53 0.01295 0.40182 5.05051
340 1JN2 SFP 0.002558 0.47267 5.06329
341 1TUF AZ1 0.002429 0.45498 5.06912
342 2VQO TFG 0.01089 0.41328 5.08475
343 3FS8 TDR 0.03065 0.43819 5.12821
344 3FS8 ACO 0.04258 0.43201 5.12821
345 4K49 HFQ 0.04251 0.40806 5.14706
346 3DZD ADP 0.004398 0.43974 5.16304
347 1SOW NAD 0.0004356 0.50147 5.18293
348 3GTD MLI 0.0008843 0.41087 5.18672
349 1LQA NDP 0.01801 0.4291 5.20231
350 2Q3M MLA 0.006347 0.41488 5.21472
351 1BG2 ADP 0.007333 0.40929 5.23077
352 4GYW UDP 0.004077 0.45422 5.25588
353 1JAC AMG 0.00216 0.44602 5.26316
354 4G1V FAD 0.006719 0.43846 5.26316
355 1T26 GBD 0.007538 0.47944 5.2795
356 1T26 NAI 0.007538 0.47944 5.2795
357 2AEB ABH 0.01347 0.4306 5.2795
358 1R6W 164 0.02185 0.401 5.2795
359 1U7Z PMT 0.0003594 0.50695 5.30973
360 1UQX MMA 0.02707 0.40527 5.30973
361 1VPM COA 0.004806 0.43935 5.32544
362 1ULE GLA GAL NAG 0.00215 0.42814 5.33333
363 2QIA U20 0.01079 0.45172 5.34351
364 1XX4 BAM 0.0001309 0.49276 5.36398
365 1L1Q 9DA 0.003909 0.43826 5.37634
366 2NT8 ATP 0.007406 0.43778 5.38117
367 4PLG OXM 0.005731 0.45274 5.38922
368 4PLG NAI 0.005731 0.45274 5.38922
369 3TWO NDP 0.006781 0.44643 5.45977
370 1A69 FMB 0.0007959 0.51597 5.46218
371 1DL7 NCH 0.01719 0.41064 5.50459
372 3C6K SPD 0.04652 0.40457 5.51181
373 2QQF A1R 0.002618 0.45504 5.51948
374 1NNS ASP 0.0001761 0.40949 5.52147
375 1X54 4AD 0.0005838 0.48424 5.52995
376 1SBZ FMN 0.02229 0.41817 5.58376
377 2J3M PRI 0.02522 0.40246 5.59441
378 1PX8 XYP 0.0008703 0.41229 5.6
379 2BSA NAP 0.03809 0.41983 5.61056
380 2BSA FAD 0.03709 0.41983 5.61056
381 3QV9 QV7 0.0002226 0.43844 5.61122
382 4O8A 2OP 0.0006361 0.46105 5.67686
383 4FJU NAI 0.02891 0.41715 5.69801
384 4FJU GLV 0.02389 0.4132 5.69801
385 2WCV FUC 0.0007088 0.45506 5.71429
386 3VHZ L2P GLC MAN SGA 0.0365 0.43168 5.72519
387 1RYI GOA 0.02137 0.40624 5.75916
388 3BHO B4P 0.003468 0.43604 5.76923
389 2ZE3 AKG 0.0006472 0.4502 5.81818
390 2XVE FAD 0.01325 0.45225 5.81897
391 2XVF FAD 0.02462 0.42343 5.81897
392 4USI AKG 0.003973 0.42673 5.84416
393 3BRE C2E 0.00009421 0.46295 5.86592
394 2C4I BTN 0.0008842 0.46152 5.90406
395 3FED BIX 0.001869 0.44897 5.94059
396 1VDC FAD 0.005263 0.46411 6.00601
397 2FWP CIT 0.000818 0.48676 6.01093
398 4FGC PQ0 0.0006296 0.41783 6.06061
399 3ZGE ASP 0.007972 0.40296 6.07102
400 4HGP KDO 0.01969 0.42408 6.11111
401 1JQN DCO 0.0001822 0.41786 6.11552
402 3HGM ATP 0.01786 0.40874 6.12245
403 3UWV 2PG 0.01331 0.42075 6.13027
404 4LXH C1E 0.006033 0.42566 6.13718
405 1VM6 NAD 0.0268 0.41115 6.14035
406 1OMZ UD2 0.02786 0.42393 6.14334
407 1WK9 TSB 0.004546 0.43704 6.16438
408 2BLE 5GP 0.01255 0.45218 6.26703
409 3V1U NAD 0.006029 0.43782 6.27706
410 3V1U HXC 0.003446 0.42746 6.27706
411 2ZYF AKG 0.0003047 0.40992 6.28272
412 4O1M NAD 0.003453 0.45512 6.34921
413 1Q8P MAN MMA 0.01249 0.40254 6.34921
414 1VHT BA3 0.005389 0.43135 6.42202
415 2GSD NAD 0.0003751 0.50876 6.46766
416 2IMP NAI 0.005034 0.48281 6.47182
417 2IMP LAC 0.007795 0.42435 6.47182
418 1UZN NAP 0.001473 0.45145 6.47773
419 1TIW TFB 0.003806 0.46263 6.47841
420 1TIW FAD 0.003806 0.46263 6.47841
421 2R00 OEG 0.005585 0.40289 6.54762
422 1PR9 NAP 0.0001818 0.52139 6.55738
423 3D3W NAP 0.0001655 0.52037 6.55738
424 1NXJ GLV 0.0003627 0.40089 6.55738
425 4DVE BTN 0.000848 0.45455 6.56566
426 1KYZ SAH 0.01268 0.41654 6.57534
427 4LNL 2BK 0.004391 0.42987 6.60661
428 4LNL 2BO 0.004391 0.42987 6.60661
429 4LNL PLG 0.01047 0.41055 6.60661
430 1T8U UAP SGN IDS SGN 0.007128 0.45375 6.61765
431 1T8U A3P 0.00318 0.44964 6.61765
432 2BZ1 TAU 0.00006237 0.53534 6.63265
433 4C0C WVH 0.01889 0.43336 6.63812
434 2JE7 XMM 0.0172 0.41748 6.69456
435 4OK9 HIS 0.001194 0.46005 6.71141
436 1OWB NAD 0.01266 0.42841 6.79157
437 4HVK PMP 0.01134 0.40189 6.80628
438 3SQG COM 0.01283 0.40842 6.81004
439 4AF5 CIT 0.00002679 0.4851 6.84211
440 2Q8H TF4 0.003054 0.42958 6.87961
441 1MO9 KPC 0.009013 0.46989 6.88337
442 1MO9 FAD 0.008796 0.4696 6.88337
443 4F8L GAL 0.005447 0.43624 6.89655
444 3CX8 GSP 0.02687 0.4117 6.89655
445 1UY4 XYP XYP XYP XYP 0.008567 0.40898 6.89655
446 3Q9N COA 0.03932 0.40569 6.96203
447 2Z6C FMN 0.008681 0.41667 6.97674
448 1T0S BML 0.008298 0.40219 6.97674
449 1FRB ZST 0.02475 0.42307 6.98413
450 1HQL GLA MBG 0.0002416 0.46061 7.00389
451 2YC5 6BC 0.004448 0.45597 7.01754
452 4DN8 BMA 0.001213 0.41707 7.05128
453 2YK7 CSF 0.0003912 0.48455 7.05521
454 1NZY BCA 0.001546 0.46904 7.0632
455 3GWT 066 0.03891 0.40513 7.08215
456 3F81 STT 0.002445 0.43404 7.10383
457 2Q46 NAP 0.01774 0.41489 7.11462
458 3BLI PYR 0.0008347 0.43784 7.12166
459 3BLI ACO 0.008284 0.42658 7.12166
460 3DLS ADP 0.009124 0.40958 7.16418
461 3MBG FAD 0.004574 0.44353 7.19424
462 4C1K PEP 0.0008783 0.44783 7.25191
463 1ZUW DGL 0.004042 0.4217 7.35294
464 4LWM MHO 0.03876 0.40421 7.37327
465 1E4X VAL VAL SER HIS PHE ASN ASP 0.01492 0.40357 7.37327
466 2CSN CKI 0.001595 0.46527 7.40741
467 3ZFD ANP 0.009927 0.41735 7.40741
468 4DXJ 0M9 0.002571 0.43313 7.45856
469 4DXJ IPE 0.006911 0.41141 7.45856
470 1J99 AND 0.005399 0.45915 7.50853
471 3E4O SIN 0.003842 0.41673 7.54098
472 3RK0 AMP 0.0002108 0.40044 7.59494
473 3ZY6 GFB 0.01483 0.41306 7.73481
474 3CV6 NAP 0.01325 0.43963 7.73994
475 1T57 FMN 0.006761 0.43072 7.76699
476 1JJV ATP 0.0107 0.40054 7.76699
477 4BI7 PGA 0.0009655 0.44914 7.7821
478 2EXX NAP 0.04106 0.40673 7.84314
479 3LTW HLZ 0.000768 0.42823 7.85714
480 2GDZ NAD 0.0005463 0.49378 7.86517
481 1UBY DMA 0.01282 0.41063 7.90191
482 2TPS TPS 0.03005 0.40626 7.92952
483 3U5S FAD 0.0006987 0.47494 7.93651
484 4UOH ADP 0.01201 0.40079 7.94702
485 1IZC PYR 0.000002508 0.50105 7.9646
486 2B82 ADN 0.003212 0.44409 8.05687
487 4NPT 017 0.002672 0.43238 8.08081
488 4PO2 ASN ARG LEU LEU LEU THR GLY 0.008648 0.4257 8.08511
489 1HEX NAD 0.000118 0.52253 8.11594
490 2OWZ CIT 0.001674 0.41298 8.13253
491 1B8U OAA 0.001933 0.47 8.20669
492 1B8U NAD 0.004102 0.43913 8.20669
493 4NTD FAD 0.0008414 0.49515 8.23529
494 1G16 GDP 0.02137 0.41425 8.23529
495 3SVL FMN 0.0129 0.41051 8.29016
496 3H4S ADP 0.01026 0.4071 8.29016
497 1SAY PYR 0.002489 0.47999 8.31025
498 3DCM SAM 0.0006411 0.47463 8.33333
499 1FP1 HCC 0.003244 0.44006 8.33333
500 4K7O EKZ 0.004003 0.40902 8.33333
501 4A3X LAT 0.001695 0.40194 8.37004
502 4C0X AQN 0.004727 0.44983 8.37438
503 4C0X FMN 0.005094 0.44279 8.37438
504 1GVF PGH 0.001827 0.43393 8.39161
505 3IS2 FAD 0.03266 0.40042 8.44156
506 1M1B SPV 0.0006894 0.44902 8.47458
507 3GEG NAD 0.003469 0.45223 8.50202
508 1M7G AV2 0.01011 0.41827 8.53081
509 5YAS FAC 0.002563 0.43319 8.56031
510 2VWT PYR 0.00004939 0.51063 8.61423
511 2EB5 OXL 0.00007916 0.46721 8.61423
512 2F01 BTQ 0.005651 0.47359 8.66142
513 2F01 BTN 0.005651 0.47359 8.66142
514 4L2I FAD 0.03205 0.40718 8.74525
515 4L2I NAD 0.0435 0.40718 8.74525
516 2P1M IHP 0.003673 0.44806 8.75
517 1ZFJ IMP 0.01645 0.46187 8.75764
518 3WCZ NAP 0.0352 0.40332 8.76623
519 1TUV VK3 0.004224 0.42306 8.77193
520 3PAK MAN 0.01461 0.40705 8.78378
521 3OZG SSI 0.001281 0.45421 8.8
522 1TO9 HMH 0.003881 0.41321 8.84615
523 1A5V Y3 0.001562 0.40584 8.86076
524 3HY3 10F 0.01693 0.41352 8.86699
525 4BVA NDP 0.01966 0.4192 8.95522
526 3WCA FPS 0.03768 0.40049 9.0411
527 1SC3 MLI 0.006565 0.4067 9.09091
528 1FIQ FAD 0.001882 0.47312 9.13242
529 1FIQ SAL 0.009412 0.43651 9.13242
530 1FIQ MTE 0.009025 0.43493 9.13242
531 1WHT BZS 0.001807 0.42743 9.15033
532 2YBQ SAH 0.0008705 0.46848 9.24658
533 2YBQ UP2 0.002706 0.46775 9.24658
534 1UJ5 5RP 0.01161 0.4063 9.2511
535 1NU4 MLA 0.004904 0.42874 9.27835
536 2IZ1 ATR 0.001639 0.41259 9.2827
537 4DL8 UMP AF3 PO4 0.004901 0.43371 9.31034
538 2C91 NAP 0.04629 0.40342 9.46746
539 2O66 FLC 0.001263 0.40549 9.62963
540 1KQN NAD 0.02093 0.42428 9.67742
541 1IYE PGU 0.0006937 0.49023 9.70874
542 1NHK CMP 0.03583 0.40458 9.72222
543 2OZE AGS 0.001257 0.45902 9.73154
544 2PID YSA 0.0055 0.45079 9.83146
545 1CL2 PPG 0.01314 0.41381 9.87342
546 4HZD COA 0.01516 0.42971 9.92908
547 1A8R GTP 0.001409 0.45879 9.95475
548 3V8S 0HD 0.006652 0.42189 10
549 2WOR 2AN 0.003195 0.41683 10
550 3IO3 ADP 0.007493 0.42329 10.0575
551 1P0H ACO 0.01333 0.45468 10.0629
552 2EFJ SAH 0.002052 0.44712 10.1562
553 2EFJ 37T 0.005384 0.41339 10.1562
554 1C1L GAL BGC 0.003662 0.41066 10.219
555 4N7C AEF 0.002808 0.41555 10.2273
556 1YFZ IMP 0.005699 0.4093 10.2439
557 1JQ5 NAD 0.0396 0.4495 10.2703
558 3EM1 TYD 0.01163 0.422 10.274
559 1OFH ADP 0.004008 0.44626 10.3226
560 3CBG SAH 0.0005399 0.47365 10.3448
561 3TKA CTN 0.00007856 0.55566 10.3746
562 1BTN I3P 0.002668 0.45099 10.3774
563 2H6B 3C4 0.002774 0.45385 10.4
564 3DDC GNP 0.002068 0.45991 10.4294
565 3QDT A2G GAL 0.0003822 0.46125 10.4895
566 3QDX A2G GAL 0.0002445 0.44928 10.4895
567 3QDY A2G GAL 0.001427 0.43599 10.4895
568 3QDV A2G 0.00164 0.40484 10.4895
569 3QDY CBS 0.005628 0.40275 10.4895
570 2ZKJ ADP 0.03033 0.41131 10.6599
571 2HW1 ANP 0.0004161 0.48541 10.7383
572 3ZZQ TRP 0.01387 0.40502 10.7692
573 2GJ3 FAD 0.01634 0.42302 10.8333
574 2PWY SAH 0.001158 0.46845 10.8527
575 1RYD GLC 0.001885 0.41285 10.8527
576 1AKV FMN 0.01654 0.41547 10.8844
577 2YGN PCF 0.01661 0.42082 10.8974
578 3PNL ADP 0.0003411 0.49146 10.9005
579 1E6E FAD 0.02206 0.41806 10.9375
580 1Y8O ADP 0.00806 0.41102 10.9375
581 4F2Q QUS 0.0009882 0.4569 11.2403
582 2NZU BG6 0.01083 0.4001 11.3636
583 1KHT AMP 0.001369 0.44245 11.4583
584 2DTX BMA 0.0008599 0.49583 11.7424
585 1VJT NAD 0.002974 0.44377 11.8012
586 3K56 IS3 0.001212 0.4529 12.0301
587 1D2N ANP 0.01494 0.41691 12.1324
588 1C7R PA5 0.0002184 0.48073 12.1348
589 5FIT AP2 0.007803 0.41407 12.2449
590 3ZYR ASN NAG NAG BMA MAN MAN NAG NAG 0.02871 0.40062 12.2605
591 2Q97 ATP 0.001817 0.45746 12.4031
592 1UW1 ADP 0.0002491 0.43659 12.5
593 4TSK NDP 0.01443 0.44768 12.5714
594 4TSK TLA 0.02237 0.40302 12.5714
595 3BL6 FMC 0.01379 0.41104 12.6087
596 3Q3C NAD 0.01738 0.44067 12.709
597 3TKY SAH 0.02464 0.40248 13.0435
598 3GE7 AFQ 0.0004296 0.50317 13.2124
599 3ACC 5GP 0.00427 0.42065 13.2597
600 1IS3 LAT 0.001428 0.42797 13.3333
601 1WUR 8DG 0.002149 0.45405 13.6364
602 4BMO FMN 0.002457 0.45635 13.6646
603 1V2G OCA 0.00706 0.42915 13.6842
604 3RKR NAP 0.0007454 0.45704 13.7405
605 1JA9 NDP 0.00298 0.49013 13.8686
606 1JA9 PYQ 0.002753 0.45848 13.8686
607 1O0D 163 0.008865 0.41799 13.8889
608 2AK5 ARG PRO PRO LYS PRO ARG PRO ARG 0.009171 0.42282 14.0625
609 1Y13 BIO 0.001202 0.44782 14.3646
610 3S9K CIT 0.03235 0.40151 14.4068
611 1NN5 2DT 0.003076 0.45754 14.4186
612 1NN5 ANP 0.003076 0.45754 14.4186
613 3PJU C2E 0.01215 0.42472 14.4578
614 3W2W ATP 0.002964 0.43294 14.9068
615 4UBP HAE 0.0009889 0.46692 15.0794
616 1JGS SAL 0.003252 0.44769 15.2174
617 3TA2 ATP 0.02577 0.41671 15.2542
618 3TA2 AKG 0.02084 0.40378 15.2542
619 2V5K OXM 0.00003009 0.5279 15.331
620 4E1N TQX 0.008214 0.42675 15.6627
621 1YAG ATP 0.000158 0.50912 15.7333
622 2XI7 XI7 0.01061 0.42142 15.7609
623 2D5A COA 0.03623 0.4064 15.9722
624 1LCP PLU 0.008402 0.43096 16.3223
625 1YOA FMN 0.01508 0.41357 16.3522
626 1JUV NDP 0.003354 0.45146 16.5803
627 1OGZ EQU 0.01134 0.40676 16.8
628 4H3P ANP 0.01329 0.41031 16.8508
629 4TMK T5A 0.0363 0.40971 16.9014
630 1UWZ THU 0.003873 0.43235 16.9118
631 3ZLM ANP 0.01099 0.41561 17.0213
632 3QQA TCH 0.004652 0.43834 17.1296
633 4B5W PYR 0.00002465 0.59001 17.1875
634 1V2X SAM 0.001518 0.45729 17.5258
635 3BY8 MLT 0.001818 0.42353 17.6056
636 4INB 1F6 0.002211 0.44974 17.8082
637 2D0V PQQ 0.002979 0.44373 18.0556
638 3P0F BAU 0.0000162 0.41665 18.1818
639 3JQM GTP 0.002409 0.43162 18.4713
640 2VQ5 LDP 0.006486 0.41444 18.9055
641 4LFL TG6 0.002393 0.43451 20.3704
642 4L80 OXL 0.00002683 0.52838 20.6897
643 2XBP ATP 0.006794 0.45719 21.2389
644 2F5Z FAD 0.0399 0.41086 21.875
645 2BNE U5P 0.001065 0.48458 21.9917
646 1F7L COA 0.03179 0.41219 23.1405
647 1II5 GLU 0.0008878 0.44427 24.8927
648 1TU3 GNP 0.000135 0.51618 28.0702
649 2Y65 ADP 0.01041 0.40372 30
650 3B8I OXL 0.0007537 0.40553 30.662
651 1C4U IH1 0.009706 0.41902 35.7143
652 2XZ9 PYR 0.000000000005425 0.78457 47.8395
Pocket No.: 2; Query (leader) PDB : 1KC7; Ligand: PPR; Similar sites found: 77
This union binding pocket(no: 2) in the query (biounit: 1kc7.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO4 PIH 0.0005141 0.47623 None
2 1UO5 PIH 0.009375 0.42416 None
3 1H16 PYR 0.001274 0.43817 1.18577
4 1I0Z OXM 0.01033 0.40507 1.5015
5 1RY2 AMP 0.006784 0.43538 1.96078
6 4GCS 1RG 0.01708 0.41408 2.05279
7 4W6Z ETF 0.007518 0.41147 2.30548
8 3WKX FUB 0.002539 0.4211 2.39163
9 1V6A TRE 0.001129 0.40792 2.40964
10 4CMF PXG 0.01288 0.44587 2.48447
11 1V5F FAD 0.02173 0.46801 2.54669
12 1Y42 TYR 0.0008122 0.40618 2.80612
13 1LYX PGA 0.00004602 0.40366 2.82258
14 2AZ3 CDP 0.006155 0.41085 3.04878
15 2GWD GLU 0.0002152 0.4058 3.11804
16 1C3M MAN MAN 0.002646 0.43758 3.40136
17 2FUE M1P 0.001081 0.43698 3.43511
18 2DUA OXL 0.007053 0.42637 3.44828
19 4NES UDP 0.01723 0.40471 3.47594
20 1OIK AKG 0.002281 0.4231 3.65448
21 2Y7P SAL 0.0002045 0.42337 3.66972
22 3NNF AKG 0.002065 0.40991 3.77907
23 3U1T MLI 0.001996 0.42181 3.8835
24 3WCS MAN NAG 0.001025 0.40275 3.93701
25 3A1I UNU 0.00002509 0.43442 4.03071
26 1Y7P RIP 0.0003058 0.44162 4.03587
27 4LTN NAI 0.02878 0.42639 4.06091
28 4LTN FMN 0.02996 0.42232 4.06091
29 3CXO 3LR 0.007392 0.43782 4.09639
30 3CXO 1N5 0.01736 0.42234 4.09639
31 4JEJ 1GP 0.00005225 0.41837 4.09836
32 4P3H 25G 0.01068 0.44593 4.14508
33 1XHL TNE 0.004224 0.41163 4.3771
34 2G36 TRP 0.005727 0.40921 4.41176
35 4QVH FLC 0.007188 0.43387 4.51505
36 2PYU IMP 0.001908 0.42989 4.56621
37 2YYJ FAD 0.002149 0.50368 4.5738
38 2YYJ 4HP 0.002149 0.50368 4.5738
39 2W3L DRO 0.004812 0.42044 4.86111
40 2F7C CCU 0.00006846 0.4924 5.5794
41 1DXY COI 0.009381 0.40702 5.70571
42 3VHZ SOG 0.0107 0.45712 5.72519
43 5E65 5N6 GAL 0.007818 0.41949 6.0241
44 3U7Y FLC 0.03554 0.40305 6.09418
45 1H8G CHT 0.01489 0.41386 6.31579
46 1B66 BIO 0.009747 0.42326 6.42857
47 3I0O SMI 0.001326 0.40672 6.48968
48 2P41 G1G 0.0003726 0.40697 6.55738
49 1NXJ TLA 0.00003675 0.40181 6.55738
50 1FMB HYB 0.01269 0.40455 6.73077
51 1QB7 ADE 0.001342 0.44569 6.77966
52 2P69 PLP 0.0007048 0.41241 6.86275
53 4ME6 ADP 0.003129 0.42059 6.99482
54 2X2T GAL NGA 0.002487 0.40096 7.18954
55 3I51 45C 0.00007909 0.41586 7.40741
56 1Y9Q MED 0.001172 0.41789 7.8125
57 4GQB 0XU 0.01177 0.4494 7.84884
58 3UIE ADX 0.005016 0.42503 8
59 1SSQ CYS 0.02819 0.4257 8.61423
60 1R5A GTS 0.004565 0.41937 8.7156
61 1YWQ FMN 0.002938 0.43781 9
62 2DWU DGL 0.0005595 0.40219 9.78261
63 2YIV YIV 0.008629 0.40144 10.061
64 2YIV NBN 0.006184 0.40101 10.061
65 1MG1 MAL 0.004449 0.43924 11.5556
66 4EKV BTN 0.01582 0.42661 11.9497
67 4Q3F TLA 0.001396 0.40062 11.9658
68 3HZS M0E 0.003092 0.47023 12.9187
69 2XRH NIO 0.005867 0.40198 13
70 4EXO PYR 0.001566 0.43421 13.0137
71 3WUD GLC GAL 0.001141 0.44029 13.2353
72 2VDJ HSE 0.003968 0.41637 13.6213
73 1RYH GNP 0.002825 0.42713 13.7931
74 1PTR PRB 0.001012 0.4343 14
75 1XNK XS2 0.0154 0.40501 14.7959
76 2P4T NAP 0.01164 0.4308 16.129
77 1Y1A GSH 0.00273 0.45096 21.3115
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