Receptor
PDB id Resolution Class Description Source Keywords
2PZI 2.4 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF PROTEIN KINASE PKNG FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH TETRAHYDROBENZOTHIOPHENE AX200 MYCOBACTERIUM TUBERCULOSIS SERINE/THREONINE-PROTEIN KINASE ATP-RECOGNITION KINASE-INHCOMPLEX RUBREDOXIN FOLD TPR DOMAIN TRANSFERASE
Ref.: STRUCTURAL BASIS FOR THE SPECIFIC INHIBITION OF PRO KINASE G, A VIRULENCE FACTOR OF MYCOBACTERIUM TUBER PROC.NATL.ACAD.SCI.USA V. 104 12151 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AXX A:753;
B:752;
Valid;
Valid;
none;
none;
ic50 = 3 uM
264.343 C13 H16 N2 O2 S C1CCc...
CD A:752;
B:751;
Invalid;
Invalid;
none;
none;
submit data
112.411 Cd [Cd+2...
CL A:751;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GOL A:754;
A:755;
A:756;
A:757;
B:753;
B:754;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PZI 2.4 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF PROTEIN KINASE PKNG FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH TETRAHYDROBENZOTHIOPHENE AX200 MYCOBACTERIUM TUBERCULOSIS SERINE/THREONINE-PROTEIN KINASE ATP-RECOGNITION KINASE-INHCOMPLEX RUBREDOXIN FOLD TPR DOMAIN TRANSFERASE
Ref.: STRUCTURAL BASIS FOR THE SPECIFIC INHIBITION OF PRO KINASE G, A VIRULENCE FACTOR OF MYCOBACTERIUM TUBER PROC.NATL.ACAD.SCI.USA V. 104 12151 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 107 families.
1 2PZI ic50 = 3 uM AXX C13 H16 N2 O2 S C1CCc2c(c(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 82 families.
1 2PZI ic50 = 3 uM AXX C13 H16 N2 O2 S C1CCc2c(c(....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 55 families.
1 2PZI ic50 = 3 uM AXX C13 H16 N2 O2 S C1CCc2c(c(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AXX; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 AXX 1 1
2 O28 0.4375 0.617647
3 K01 0.410256 0.684211
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2PZI; Ligand: AXX; Similar sites found: 341
This union binding pocket(no: 1) in the query (biounit: 2pzi.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5TT5 NAD 0.008508 0.41954 0.734214
2 5DZT AMP 0.0001554 0.45545 1.32159
3 3TY5 ADP 0.01086 0.40006 1.45278
4 5IGI ZIT 0.008668 0.43311 1.66113
5 5IGI GMP 0.008248 0.43311 1.66113
6 3B2Q ATP 0.01004 0.41453 1.70576
7 3K5I ADP 0.002009 0.44263 1.73697
8 3K5I AIR 0.01481 0.4158 1.73697
9 3I0O ADP 0.0004014 0.45635 1.76991
10 1PK8 ATP 0.002894 0.44219 1.89573
11 2R7K AMZ 0.0009692 0.47004 1.93906
12 1ZB6 GST 0.02328 0.4036 1.9544
13 1ZB6 DIN 0.02196 0.4036 1.9544
14 4U98 ACP 0.0004519 0.46638 1.98238
15 5I35 ANP 0.0003521 0.47141 2.03562
16 2VQD AP2 0.001814 0.44472 2.15517
17 2V58 LZJ 0.001513 0.47789 2.20264
18 3V4S ATP 0.000797 0.46364 2.20264
19 3V4S ADP 0.003366 0.45148 2.20264
20 5DXT 5H5 0.004775 0.42291 2.20264
21 3WVR AMP 0.000497 0.46194 2.23714
22 1AUX AGS 0.0009063 0.45467 2.2508
23 2Q4H AMP 0.01834 0.40614 2.2792
24 4GLW 0XT 0.0004585 0.44556 2.29508
25 1ZTH ADP 0.0002199 0.46903 2.32558
26 1ZP9 ATP 0.0004259 0.46503 2.32558
27 3WO0 ALA 0.002831 0.4576 2.34043
28 4PU5 ANP 0.0007837 0.46593 2.42826
29 2CFM AMP 0.004418 0.41104 2.49554
30 1M0W ANP 0.002175 0.43236 2.49633
31 2GQS ADP 0.0006307 0.45966 2.53165
32 2HGS ADP 0.001232 0.45654 2.53165
33 2GQR ADP 0.001099 0.44846 2.53165
34 5TT6 ATP 0.002509 0.43995 2.53807
35 5FBN 5WF 0.00001672 0.56499 2.58303
36 1JXZ BCA 0.02515 0.40069 2.60223
37 4DI8 0GZ 0.005903 0.41233 2.64026
38 4DI8 0GY 0.005903 0.40465 2.64026
39 5VZ0 ADP 0.0001816 0.48476 2.64317
40 5NCY 8TK 0.008579 0.42503 2.64317
41 4UWH JXM 0.001475 0.44014 2.66223
42 5AVF TAU 0.004688 0.408 2.72374
43 3DNT ATP 0.002269 0.44561 2.72727
44 4LH7 1X8 0.0002364 0.41564 2.78638
45 4ANW O92 0.001745 0.46184 2.79001
46 1KJ8 GAR 0.02221 0.41242 2.8133
47 1KJ8 ATP 0.02121 0.41242 2.8133
48 3PN1 IVH 0.001256 0.42166 2.83019
49 4OAV ACP 0.00001041 0.54241 2.93686
50 3KMZ EQO 0.01969 0.40463 3.00752
51 4GYI ADP 0.00002475 0.51892 3.02267
52 5FI4 5XV 0.007807 0.41979 3.09598
53 3W0O HY0 0.003072 0.44697 3.15186
54 3W0O ADP 0.003072 0.44697 3.15186
55 1ME8 RVP 0.01902 0.41584 3.18091
56 1EHI ADP 0.005273 0.42088 3.18302
57 1IA9 ANP 0.0009161 0.42018 3.21429
58 2QK4 ATP 0.0001771 0.46546 3.23054
59 3FC4 EDO 0.04126 0.41149 3.23054
60 1I7L ATP 0.006803 0.42267 3.23625
61 3TDV GDP 0.002223 0.43645 3.26797
62 2R85 AMP 0.003633 0.44476 3.29341
63 2DM6 IMN 0.0413 0.40144 3.3033
64 3JRS A8S 0.01178 0.40794 3.36538
65 1JG3 ADN 0.01383 0.4148 3.40426
66 1MGP PLM 0.02236 0.40056 3.51438
67 2VPQ ANP 0.0008676 0.46381 3.54767
68 3OF1 CMP 0.003857 0.41251 3.65854
69 1VPV PLM 0.02096 0.40329 3.66667
70 4Z24 FAD 0.04151 0.4039 3.68098
71 5GZ9 ANP 0.00002593 0.53665 3.93443
72 3KDJ A8S 0.009098 0.40971 3.9604
73 1TZD ADP 0.0001344 0.42559 4
74 3UDZ ADP 0.00004734 0.51714 4.0568
75 5VKT NAP 0.01919 0.409 4.14365
76 2YRX AMP 0.001106 0.41144 4.21286
77 3ETH ATP 0.0002406 0.48837 4.22535
78 4ZS4 ATP 0.00002905 0.52711 4.23453
79 3VPC ADP 0.0001777 0.49463 4.25532
80 4O1P ANP 0.000005932 0.55671 4.25844
81 3OOI SAM 0.01148 0.40675 4.31034
82 5TDF ADP 0.0009291 0.45847 4.32099
83 4AXD ANP 0.0001562 0.52087 4.38596
84 4ZGP ADP 0.01048 0.40289 4.43686
85 5MW8 ATP 0.00002758 0.53537 4.4586
86 4NZN 2OU 0.001398 0.47861 4.54545
87 4NZN ANP 0.001398 0.47861 4.54545
88 3X01 AMP 0.00003962 0.47541 4.58015
89 3VPD ANP 0.0002779 0.48539 4.62633
90 2Q7D ANP 0.0008637 0.46925 4.69897
91 3PDT ADP 0.0000509 0.50758 4.72727
92 4OCJ NDG 0.005082 0.4448 4.74934
93 5C1P ADP 0.0001885 0.47855 4.90196
94 5C1P DAL DAL 0.0006792 0.47257 4.90196
95 1OBD ATP 0.00198 0.43177 4.90196
96 1FFU FAD 0.01498 0.4211 4.90798
97 4XYM A12 0.0002168 0.48608 5.21739
98 4MV1 ADP 0.001307 0.46805 5.28634
99 4CC6 L5Y 0.004108 0.40691 5.34591
100 4OMJ 2TX 0.0292 0.40219 5.39568
101 1T36 ADP 0.002674 0.447 5.75916
102 5W2I ADP 0.0001107 0.5086 5.83658
103 5W2I I3P 0.0001107 0.5086 5.83658
104 4Q5M ROC 0.01625 0.41379 5.91133
105 2BKK ADP 0.006198 0.40903 5.91716
106 4CYI ATP 0.0000919 0.50597 5.93607
107 4O4F ATP 0.0003255 0.48798 6.04839
108 4O4F IHP 0.0003546 0.48798 6.04839
109 2IF8 ADP 0.0000294 0.48758 6.06061
110 2YW2 ATP 0.0005929 0.46769 6.13208
111 2DTJ THR 0.01115 0.40135 6.17978
112 5JNN 6LM 0.007475 0.4207 6.31579
113 3FSM 2NC 0.009297 0.42938 6.40394
114 3KA2 2NC 0.03671 0.41138 6.40394
115 4R78 AMP 0.0004188 0.45182 6.47249
116 1T3Q FAD 0.009576 0.43197 6.54762
117 2PYW ADP 0.000006012 0.56195 6.66667
118 3HAV ATP 0.004427 0.43482 6.68896
119 1W2D ADP 0.00009146 0.48623 6.79245
120 1W2D 4IP 0.0004521 0.48623 6.79245
121 3VOT ADP 0.0005541 0.4503 6.82353
122 4WW7 AMP 0.00008933 0.50882 6.89655
123 3PLS ANP 0.00005199 0.50998 6.90162
124 4XH0 ADP 0.000001927 0.60354 6.94789
125 1GSA ADP 0.0001684 0.49784 6.96203
126 4FE2 ADP 0.002215 0.42953 7.05882
127 1IOW ADP 0.00299 0.45283 7.51634
128 1IOW PHY 0.00299 0.45283 7.51634
129 1E4E ADP 0.01003 0.40771 7.58017
130 4OCV ANP 0.002655 0.43492 7.65171
131 4DFU QUE 0.0001897 0.46009 7.76398
132 5C4L 4XR 0.0006454 0.48174 7.78816
133 5C4L SIS 0.002195 0.45555 7.78816
134 1TQP ATP 0.0002614 0.49068 7.80142
135 1N62 FAD 0.03639 0.40338 7.83133
136 5IQD RIO 0.005249 0.4441 7.86885
137 5IQD GNP 0.004986 0.4441 7.86885
138 4AZT LY2 0.0003689 0.46016 7.90861
139 3TII ANP 0.0002837 0.46323 8.1579
140 4JD3 COA 0.01317 0.42881 8.2153
141 4JD3 PLM 0.01427 0.42881 8.2153
142 2RIF AMP 0.008046 0.4061 8.51064
143 4PZ6 GMP 0.001508 0.40245 8.51689
144 5LXT ACP 0.0006177 0.47087 8.59375
145 3ORQ ADP 0.0005598 0.46887 8.75332
146 4FL3 ANP 0.00001496 0.5457 8.81057
147 4IX4 ADP 0.0003234 0.48013 8.85714
148 4KBA 1QM 0.00003484 0.53875 9.06344
149 2CSN CKI 0.000003716 0.5839 9.09091
150 5JFS 6K0 0.0003537 0.50553 9.39794
151 5K2M ADP 0.0004671 0.47858 9.43396
152 3VHE 42Q 0.00006244 0.53 9.47075
153 4AZW ATP 0.001393 0.45015 9.55414
154 4ASE AV9 0.00001703 0.55388 9.98532
155 2AQX ATP 0.001183 0.45549 10.0346
156 4CLI 5P8 0.00001029 0.58739 10.3976
157 4AG8 AXI 0.00009044 0.52996 10.7595
158 1VJY 460 0.000107 0.52178 10.8911
159 4L9I 8PR 0.0002282 0.48016 11.4537
160 5JAX 6J7 0.009165 0.40561 11.8519
161 5JKG 6LF 0.00006981 0.53845 11.8971
162 3GQI ACP 0.00008014 0.50389 11.9632
163 1O44 852 0.03842 0.40123 12.037
164 5W8E SXZ 0.02047 0.41106 12.2172
165 5W8E ADE 0.02217 0.4082 12.2172
166 3KRL KRL 0.00001266 0.54915 12.2388
167 3SRV S19 0.00001259 0.53857 12.2744
168 4F4P 0SB 0.0003567 0.52169 12.4542
169 3RI1 3RH 0.00003998 0.53391 12.4601
170 1OPK P16 0.0002328 0.50356 12.5253
171 2PUL ACP 0.00001976 0.52949 12.5945
172 5UR1 YY9 0.00006321 0.54594 12.8617
173 3GNI ATP 0.00008306 0.44615 13.1105
174 2H8H H8H 0.0000456 0.51533 13.271
175 2IO8 ADP 0.001579 0.45317 13.4087
176 4EWH T77 0.000006209 0.5752 13.4545
177 3PVW QRX 0.0001671 0.50382 13.5095
178 5UKL SIX 0.0003869 0.48787 13.5095
179 2OO8 RAJ 0.00246 0.44036 13.5647
180 4BKJ STI 0.001356 0.45809 13.6508
181 5CKW ANP 0.0005022 0.45429 13.7472
182 3ALN ANP 0.00005491 0.51654 14.0673
183 5AWM ANP 0.00002564 0.50965 14.2132
184 5MJA 7O3 0.00001332 0.53443 14.7541
185 4YMJ 4EJ 0.000006191 0.50872 14.8026
186 2QLU ADE 0.00002811 0.5391 14.9682
187 5LI1 ANP 0.000002726 0.58084 15.2542
188 4Y85 499 0.0002928 0.47514 15.3614
189 1XJD STU 0.0001175 0.49858 15.3623
190 3LQV ADE 0.002891 0.45215 15.3846
191 1JPA ANP 0.000004001 0.4213 15.3846
192 3VRY B43 0.00004281 0.53048 15.4185
193 5LI9 ACP 0.0000007452 0.53213 15.4286
194 3HMO STU 0.0000077 0.54849 15.4971
195 3LXK MI1 0.0001373 0.50977 15.5963
196 1Y57 MPZ 0.0001807 0.49637 15.708
197 4YZC STU 0.00002853 0.5565 15.8025
198 1OUK 084 0.0001665 0.56343 15.847
199 2PVF ACP 0.00001477 0.53537 15.8683
200 2XVD AS6 0.000009151 0.56899 15.894
201 4LOO SB4 0.000614 0.46257 16.0665
202 3VPB ADP 0.00004784 0.52815 16.0714
203 4WNK 453 0.00008172 0.52427 16.1527
204 3HZT J60 0.000002068 0.55869 16.2741
205 4RFM 3P6 0.0000431 0.56048 16.5414
206 2X2M X2M 0.0000112 0.55167 16.879
207 3OJI PYV 0.01152 0.40668 16.9312
208 5N87 N66 0.00006848 0.536 16.9329
209 3H9R TAK 0.00004168 0.49287 16.9697
210 4IDT T28 0.00009257 0.49835 17.1348
211 2P3C 3TL 0.03557 0.40295 17.1717
212 3GPO APR 0.01299 0.41063 17.2619
213 3BU5 ATP 0.000003567 0.56704 17.3203
214 2F2U M77 0.00001318 0.53893 17.4129
215 1U59 STU 0.00001125 0.54372 17.4216
216 1CM8 ANP 0.0000999 0.49682 17.4387
217 3SXS PP2 0.000005134 0.56519 17.5373
218 5C03 AGS 0.0007084 0.45967 17.5439
219 3EKK GS2 0.00004145 0.54838 17.5896
220 4BHN BH9 0.0000512 0.51798 17.6647
221 4IZY 1J2 0.00001824 0.53917 17.8862
222 4Y93 746 0.00007804 0.5179 18.1614
223 4CSV STI 0.0002365 0.49079 18.1818
224 3LXN MI1 0.00002946 0.52932 18.239
225 4P5Z Q7M 0.0001624 0.52002 18.2825
226 4E93 GUI 0.00006366 0.53293 18.3024
227 5T8O 76Z 0.00005311 0.51722 18.6246
228 4D2S DYK 0.00001958 0.52358 18.662
229 5USZ SKE 0.0000987 0.51674 18.6851
230 5U6C 7YS 0.00009828 0.50685 18.7302
231 4WOV 3SM 0.0006347 0.4544 18.9274
232 4GJ3 0XP 0.00005261 0.53537 19.2053
233 3TXO 07U 0.00002614 0.52092 19.2635
234 4UX9 ANP 0.000006017 0.56193 19.5055
235 5HCY 60D 0.00003302 0.56158 19.6375
236 4QMN DB8 0.000007067 0.58526 19.6774
237 4WB7 ATP 0.00003126 0.55301 19.7531
238 3KMW ATP 0.001078 0.44885 19.9262
239 5EOB 5QQ 0.0002031 0.53085 20.0627
240 5MY8 RXZ 0.00000441 0.57809 20.1044
241 4K33 ACP 0.00001219 0.54483 20.3077
242 5TA6 79D 0.00003309 0.53984 20.3911
243 4AT3 LTI 0.00002322 0.55107 20.4013
244 4BTK DTQ 0.000004693 0.56147 21.0682
245 3E7O 35F 0.00007016 0.53085 21.1111
246 3TTI KBI 0.0000336 0.53951 21.3362
247 3GC8 B45 0.0002592 0.48683 21.3514
248 2Y6O 1N1 0.00001434 0.54658 21.6495
249 2JLD AG1 0.00001051 0.57332 21.6667
250 5UOX 8GY 0.00004103 0.52488 21.7712
251 4QTB 38Z 0.00005048 0.53275 21.8421
252 2V7O DRN 0.000002503 0.54452 22.0238
253 3IGO ANP 0.0001557 0.4344 22.2222
254 1K3A ACP 0.00001007 0.53679 22.408
255 3E8N VRA 0.0000472 0.5549 22.5806
256 3E8N ATP 0.0000472 0.5549 22.5806
257 2QCS ANP 0.00001556 0.55377 22.8571
258 3FHI ANP 0.00002485 0.54392 22.8571
259 3IDB ANP 0.00002163 0.54041 22.8571
260 1RE8 BD2 0.0002876 0.51588 22.8571
261 4U0I 0LI 0.0001955 0.50729 22.8571
262 3NW7 LGV 0.000008265 0.5949 23.127
263 4WB6 ATP 0.00001041 0.56223 23.1429
264 4TWP AXI 0.0001393 0.53087 23.6162
265 4I6H 1C8 0.0000465 0.47606 23.7013
266 5EKO N17 0.0001576 0.49921 23.7197
267 2GU8 796 0.00007622 0.55403 23.7389
268 2ZV2 609 0.000007488 0.55046 23.8255
269 1U5R ATP 0.000001483 0.5817 23.8506
270 4E1Z 0MX 0.00002685 0.53593 24.055
271 4NM5 ADP 0.01125 0.43751 24.1379
272 4XLI 1N1 0.0000287 0.52197 24.2537
273 3PP0 03Q 0.0004758 0.41437 24.2604
274 5KO1 6UY 0.00007987 0.50133 24.3816
275 3G5D 1N1 0.0000957 0.54886 24.4755
276 5HX8 66P 0.00003234 0.53838 24.5033
277 3ZRM ZRM 0.000001334 0.58699 24.5283
278 1ZY5 ANP 0.00004538 0.51273 24.7525
279 1BYG STU 0.000002938 0.5647 24.8201
280 2OFV 242 0.0003179 0.5027 24.9097
281 5EFQ ADP 0.00008364 0.50302 25.072
282 5LXC 7AA 0.000003631 0.56046 25.2451
283 3SLS ANP 0.00001431 0.54662 25.3289
284 3UIM ANP 0.0001541 0.49063 25.4601
285 2B9F ADP 0.0001427 0.49218 25.4958
286 2B9J ADP 0.0001865 0.48423 25.4958
287 2B9H ADP 0.0002736 0.48132 25.4958
288 2B9I ADP 0.0002559 0.48033 25.4958
289 4CRL C1I 0.00004106 0.54398 25.6158
290 4WHZ 3NL 0.00005612 0.55457 25.7143
291 1O9U ADZ 0.0000001733 0.4779 25.7143
292 3KRR DQX 0.00012 0.55008 25.7627
293 4OTH DRN 0.000005411 0.56669 25.8065
294 5HQ0 LZ9 0.00002759 0.53067 25.8278
295 2HK5 1BM 0.00001914 0.53818 25.9259
296 3F7Z 34O 0.000001343 0.58685 26
297 4NST ADP 0.0001562 0.49035 26.2108
298 5H2U 1N1 0.0001209 0.49555 26.2172
299 5DA3 58V 0.000009781 0.52946 26.4151
300 5NKB 8ZT 0.0001456 0.52629 26.4706
301 3C1X CKK 0.0001368 0.50003 27.0777
302 3PTG 932 0.000002626 0.5417 27.2727
303 5LPZ ADP 0.000093 0.50087 27.4096
304 4YLL 4E3 0.00001358 0.55008 27.4238
305 5VC5 96M 0.000018 0.55271 27.6817
306 2F57 23D 0.0000006289 0.59557 27.7603
307 5BYZ 4WE 0.0003997 0.49199 27.8736
308 2WEL K88 0.000001359 0.53072 28.4404
309 4H3Q ANP 0.0001368 0.50215 28.7293
310 5BVE 4VG 0.0002232 0.53413 28.8089
311 5X8I SQZ 0.000002848 0.5716 28.9017
312 2VZ6 FEF 0.000004394 0.55329 29.7125
313 3GC0 AMP 0.00003403 0.51259 29.7872
314 3O0G 3O0 0.00000604 0.55339 30.137
315 1UNH IXM 0.000007055 0.54388 30.137
316 2WU6 DKI 0.00003317 0.53154 30.1837
317 5CEO 50D 0.0000092 0.54781 30.3333
318 5LPB ADP 0.00007546 0.48964 30.4054
319 4AU8 Z3R 0.00003246 0.5057 30.7432
320 5DBX ANP 0.00007956 0.4957 30.7927
321 2VN9 GVD 0.0000002136 0.59057 30.897
322 1PHK ATP 0.0001091 0.50009 31.8792
323 2WEI VGG 0.00005931 0.50452 32.0557
324 5JGA 6KC 0.00000554 0.58534 32.0635
325 4AUA 4AU 0.000007399 0.5493 33.2248
326 4H3P ANP 0.00008531 0.50262 33.3333
327 5HES 032 0.00002028 0.53942 34.8534
328 3SXF BK5 0.00008884 0.52887 35.3306
329 5TO8 7FM 0.0002552 0.51144 35.461
330 2BPM 529 0.0000532 0.55577 35.9223
331 4CFU 2WC 0.0000169 0.52966 36.6337
332 4BCM T7Z 0.0000264 0.49172 36.8771
333 4BCQ TJF 0.0001815 0.4728 36.8771
334 4BCN T9N 0.00001939 0.52377 37
335 2XMY CDK 0.0001852 0.54093 37.2483
336 5LMK 6ZK 0.0008579 0.451 37.3737
337 4FG8 ATP 0.000007239 0.55814 37.4603
338 4Q5H ANP 0.001145 0.42185 39.4737
339 2A19 ANP 0.000004468 0.56099 41.5493
340 1V0O INR 0.00001292 0.54364 42.0139
341 4DC2 ADE 0.000000326 0.53545 42.8571
Pocket No.: 2; Query (leader) PDB : 2PZI; Ligand: AXX; Similar sites found: 22
This union binding pocket(no: 2) in the query (biounit: 2pzi.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2IHU TP9 0.03115 0.40394 1.22164
2 1NAA 6FA 0.04197 0.40527 1.84843
3 3JV7 NAD 0.025 0.40328 2.31884
4 2FAV APR 0.017 0.40638 2.77778
5 1NZY BCA 0.02066 0.40492 3.0837
6 3G5S FAD 0.03775 0.40162 4.06321
7 4YV5 SVR 0.04015 0.43583 4.09836
8 4JWH SAH 0.01498 0.40762 4.15335
9 1CBK ROI 0.00195 0.40523 4.375
10 2FB3 GTP 0.01982 0.40707 4.41176
11 4JWJ SAH 0.01663 0.40394 4.45545
12 4NVQ 2OD 0.02321 0.40832 4.5614
13 4NVQ SAH 0.02206 0.40832 4.5614
14 3ZS7 ATP 0.01553 0.40381 5
15 2FXD DR7 0.01998 0.40689 5.05051
16 1O68 KIV 0.01762 0.40034 5.81818
17 3RYC GDP 0.01939 0.40217 6.99301
18 3CF6 SP1 0.00339 0.42573 7.18563
19 3CH6 NAP 0.04943 0.41165 10.1399
20 3CH6 311 0.04943 0.41165 10.1399
21 5COU ATP 0.003478 0.42521 12.3529
22 3PNA CMP 0.005348 0.40098 17.5325
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