Receptor
PDB id Resolution Class Description Source Keywords
2H6B 2.2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF OXIDIZED CPRK IN COMPLEX WITH O- CHLOROPHENOLACETIC ACID DESULFITOBACTERIUM HAFNIENSE HALORESPIRATION DNA BINDING CHLORINATED LIGAND CHLOROPHENHELIX-TURN-HELIX DNA BINDING PROTEIN
Ref.: CPRK CRYSTAL STRUCTURES REVEAL MECHANISM FOR TRANSC CONTROL OF HALORESPIRATION. J.BIOL.CHEM. V. 281 28318 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3C4 A:302;
B:301;
Valid;
Valid;
none;
none;
Kd = 4.1 uM
186.592 C8 H7 Cl O3 c1cc(...
SO4 A:251;
B:251;
Invalid;
Invalid;
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
2H6B 2.2 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF OXIDIZED CPRK IN COMPLEX WITH O- CHLOROPHENOLACETIC ACID DESULFITOBACTERIUM HAFNIENSE HALORESPIRATION DNA BINDING CHLORINATED LIGAND CHLOROPHENHELIX-TURN-HELIX DNA BINDING PROTEIN
Ref.: CPRK CRYSTAL STRUCTURES REVEAL MECHANISM FOR TRANSC CONTROL OF HALORESPIRATION. J.BIOL.CHEM. V. 281 28318 2006
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 3E5X - 3C4 C8 H7 Cl O3 c1cc(c(cc1....
2 3E5U - 3C4 C8 H7 Cl O3 c1cc(c(cc1....
3 3E6B - 3C4 C8 H7 Cl O3 c1cc(c(cc1....
4 2H6B Kd = 4.1 uM 3C4 C8 H7 Cl O3 c1cc(c(cc1....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 3E5X - 3C4 C8 H7 Cl O3 c1cc(c(cc1....
2 3E5U - 3C4 C8 H7 Cl O3 c1cc(c(cc1....
3 3E6B - 3C4 C8 H7 Cl O3 c1cc(c(cc1....
4 2H6B Kd = 4.1 uM 3C4 C8 H7 Cl O3 c1cc(c(cc1....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 3E5X - 3C4 C8 H7 Cl O3 c1cc(c(cc1....
2 3E5U - 3C4 C8 H7 Cl O3 c1cc(c(cc1....
3 3E6B - 3C4 C8 H7 Cl O3 c1cc(c(cc1....
4 2H6B Kd = 4.1 uM 3C4 C8 H7 Cl O3 c1cc(c(cc1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3C4; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 3C4 1 1
2 DHY 0.578947 0.724138
3 YTX 0.488889 0.7
4 LNN 0.44898 0.75
5 CHB 0.439024 0.88
6 3HP 0.418605 0.730769
7 IH5 0.413793 0.78125
8 4HP 0.410256 0.76
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2H6B; Ligand: 3C4; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2h6b.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2H6B; Ligand: 3C4; Similar sites found: 466
This union binding pocket(no: 2) in the query (biounit: 2h6b.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KPE TM3 0.00191 0.4845 None
2 1JOT GAL A2G 0.001071 0.47215 None
3 43CA NPO 0.04139 0.44901 None
4 4PNO U5P 0.002261 0.44835 None
5 3CBG FER 0.03381 0.43854 None
6 3BY8 MLT 0.02232 0.43645 None
7 1N9L FMN 0.002474 0.43446 None
8 3WUC GLC GAL 0.03687 0.42507 None
9 2E1A MSE 0.02314 0.41686 None
10 3CBG SAH 0.01197 0.41095 None
11 1WKL ATP 0.01119 0.40888 None
12 1R5A GTS 0.03817 0.40683 None
13 1GXU 2HP 0.00745 0.40642 None
14 1ZEI CRS 0.03276 0.40359 None
15 1WKL ADP 0.01565 0.40316 None
16 3M0J OAF 0.00003164 0.45932 0.8
17 3BY9 SIN 0.0229 0.41043 1.2
18 1JN2 SFP 0.03712 0.47125 1.26582
19 1QH9 LAC 0.02716 0.42686 1.2931
20 2P41 G1G 0.007242 0.43994 1.6
21 4B9E FAH 0.04286 0.42163 1.6
22 2P41 SAH 0.006234 0.41881 1.6
23 3W54 RNB 0.01546 0.41324 1.6
24 4JWX 1N4 0.03575 0.41207 1.6
25 1UF5 CDT 0.02613 0.41059 1.6
26 2GJ3 FAD 0.0001144 0.4438 1.66667
27 1RYH GNP 0.01467 0.42811 1.97044
28 1A8S PPI 0.001141 0.46829 2
29 1JQN DCO 0.00004739 0.44709 2
30 4USS GSH 0.0168 0.4276 2
31 4A3R CIT 0.0001698 0.42485 2
32 4NAO AKG 0.04687 0.41959 2
33 3I0O ADP 0.01719 0.41872 2
34 3TFC PEP 0.02814 0.41701 2
35 4Q3R XA2 0.002685 0.4133 2
36 4Q3S X7A 0.002315 0.41117 2
37 4BI7 PGA 0.03563 0.40821 2
38 1QZZ SAM 0.02051 0.40804 2
39 3UST FAD 0.0213 0.40404 2
40 1TFZ 869 0.0126 0.40381 2
41 3V1U HXC 0.03708 0.40376 2
42 2OI2 DP6 0.03224 0.40299 2
43 3KJI ADP 0.02597 0.40047 2
44 2YD6 FLC 0.001187 0.54664 2.35849
45 3ICV NAG 0.0003325 0.59696 2.4
46 1FX8 BOG 0.00006961 0.5002 2.4
47 3B9Z CO2 0.001139 0.49568 2.4
48 2ZI8 SDT 0.00005521 0.45907 2.4
49 1N6B DMZ 0.00001846 0.44581 2.4
50 3ZF8 GDP 0.00465 0.44393 2.4
51 1CKM GTP 0.007943 0.43811 2.4
52 3MTW M3R 0.003674 0.43538 2.4
53 1CBF SAH 0.004871 0.43037 2.4
54 1Z44 FMN 0.007703 0.42598 2.4
55 1Y42 TYR 0.01961 0.42443 2.4
56 1CKN GTP 0.01586 0.42438 2.4
57 3H22 B53 0.01435 0.4222 2.4
58 1Y7I SAL 0.02201 0.42206 2.4
59 1UOU CMU 0.009763 0.42165 2.4
60 2BGM MAX 0.002157 0.41958 2.4
61 3I8P 840 0.009627 0.41823 2.4
62 1NX4 AKG 0.03892 0.41447 2.4
63 4QN7 G39 0.0004312 0.41331 2.4
64 1Q11 TYE 0.03893 0.4103 2.4
65 2WLT ASP 0.002292 0.40721 2.4
66 3D2Y AH0 ALA FGA LYS 0.01434 0.40465 2.4
67 2AG8 NAP 0.01017 0.40437 2.4
68 3O2K QRP 0.03891 0.40282 2.4
69 3TKA SAM 0.01224 0.40135 2.4
70 4AP9 1PS 0.0005574 0.45541 2.48756
71 1NP0 NGT 0.03735 0.41986 2.48963
72 4DVE BTN 0.01919 0.41658 2.52525
73 4DN8 BMA 0.003863 0.46926 2.5641
74 3PNA CMP 0.007786 0.43851 2.5974
75 1UQX MMA 0.004037 0.4101 2.65487
76 1GU3 BGC BGC BGC BGC BGC 0.03178 0.4145 2.68456
77 3F81 STT 0.04185 0.43331 2.73224
78 3V0W PA1 GLC GLC GLC GM0 GLA GM0 GMH KDO KDO 0.04733 0.44021 2.73973
79 1LTH FBP 0.0005146 0.51286 2.8
80 3BLI PYR 0.0009204 0.50792 2.8
81 1LTH OXM 0.0001663 0.5079 2.8
82 1XX4 BAM 0.001194 0.48458 2.8
83 4M5P 23W 0.008915 0.46364 2.8
84 2Q1A 2KT 0.000221 0.46202 2.8
85 3IHB TRS 0.04919 0.45978 2.8
86 2X0K PPV 0.007515 0.44659 2.8
87 4B7E OGA 0.01109 0.44104 2.8
88 2XUM OGA 0.02444 0.42917 2.8
89 1J2Z SOG 0.005345 0.42682 2.8
90 3IHB GLU 0.03857 0.42404 2.8
91 2C2A ADP 0.006213 0.42236 2.8
92 1A59 CIT 0.04158 0.42233 2.8
93 3P3N AKG 0.0334 0.42232 2.8
94 3CXO 1N5 0.0005099 0.42215 2.8
95 3CXO 3LR 0.0009254 0.41984 2.8
96 2Y0I AKG 0.03105 0.41928 2.8
97 4ME6 ADP 0.03406 0.41731 2.8
98 1YBH P22 0.01947 0.4163 2.8
99 2Y7G AAE 0.01228 0.41388 2.8
100 3SHR CMP 0.02351 0.41264 2.8
101 3E4O SIN 0.04463 0.41153 2.8
102 1E2S CSN 0.01852 0.40992 2.8
103 1C7R PA5 0.02845 0.40894 2.8
104 4IHQ ADP 0.03861 0.4066 2.8
105 2WUF KEM 0.006128 0.40659 2.8
106 4JRB PGT 0.0273 0.40615 2.8
107 4C1K PEP 0.04823 0.40585 2.8
108 2ZO9 MLI 0.03204 0.40484 2.8
109 3DER ALA LYS 0.008684 0.40399 2.8
110 3B1J NAD 0.002424 0.40382 2.8
111 2R5T ANP 0.009021 0.40339 2.8
112 1G7V PAI 0.000501 0.40167 2.8
113 1VR0 3SL 0.02807 0.413 2.83401
114 1FNZ A2G 0.0001293 0.47048 2.95359
115 1MVQ MMA 0.0002049 0.43434 2.9661
116 3CF6 SP1 0.01112 0.41565 2.99401
117 2C5S AMP 0.03171 0.41055 3.1477
118 1A5Z OXM 0.00002291 0.60175 3.2
119 1A5Z FBP 0.0000485 0.49574 3.2
120 3T1A 5MA 0.0008515 0.45252 3.2
121 1TV5 ORO 0.001403 0.4503 3.2
122 2V5K OXM 0.004037 0.44433 3.2
123 1JA9 PYQ 0.0001608 0.44419 3.2
124 3CEV ARG 0.006463 0.4422 3.2
125 3ZPG 5GP 0.02929 0.44205 3.2
126 1TV5 A26 0.0007859 0.44198 3.2
127 2VWT PYR 0.0217 0.43708 3.2
128 2YP9 SIA CMO 0.004108 0.43145 3.2
129 1GJW GLC 0.04627 0.41988 3.2
130 4C6F DOR 0.02011 0.41567 3.2
131 4C6F NCD 0.02011 0.41567 3.2
132 1EYE PMM 0.01674 0.41539 3.2
133 1GSA GSH 0.0001602 0.40979 3.2
134 1TV5 N8E 0.01142 0.40853 3.2
135 1QW9 KHP 0.004293 0.40634 3.2
136 1GSA ADP 0.00006441 0.40519 3.2
137 1YOE RIB 0.04588 0.40312 3.2
138 2VGK REZ 0.03384 0.40285 3.2
139 4Q0A 4OA 0.01816 0.40063 3.2
140 1JCM 137 0.003816 0.40011 3.2
141 1FW1 GSH 0.02789 0.40238 3.24074
142 3KYF 5GP 5GP 0.0201 0.41568 3.4632
143 1G8S MET 0.03607 0.42063 3.47826
144 4K7O EKZ 0.04701 0.41952 3.57143
145 4JCA CIT 0.01048 0.47488 3.59281
146 2NZ2 ASP 0.00001117 0.5764 3.6
147 1U5V ATP 0.002082 0.53376 3.6
148 1Z6K OAA 0.0005169 0.48328 3.6
149 1OIK AKG 0.008327 0.45261 3.6
150 2NZ2 CIR 0.0001547 0.45181 3.6
151 2VAR AMP 0.004529 0.44444 3.6
152 2Q8H TF4 0.03195 0.43992 3.6
153 3RKR NAP 0.006274 0.43382 3.6
154 2VAR KDF 0.006617 0.43283 3.6
155 4N69 SER 0.0238 0.42975 3.6
156 1QDS PGA 0.01397 0.42272 3.6
157 1T3D CYS 0.04198 0.42211 3.6
158 1FS5 TLA 0.001105 0.42179 3.6
159 2Q09 DI6 0.0187 0.42111 3.6
160 2DHC DCE 0.01673 0.41523 3.6
161 1EB9 HBA 0.01845 0.41356 3.6
162 2VAR KDG 0.01874 0.41326 3.6
163 1HFA PIO 0.04067 0.40829 3.6
164 3TI8 LNV 0.0003044 0.4074 3.6
165 2VAR ANP 0.008584 0.40711 3.6
166 3PHQ KDO 0.04025 0.45333 3.6036
167 1KHT AMP 0.01459 0.42604 3.64583
168 3CH5 GDP 0.0004493 0.41816 3.7037
169 4JP3 CIT 0.02325 0.40919 3.76569
170 1OGD RIP 0.02044 0.42358 3.81679
171 1FMB HYB 0.01702 0.41508 3.84615
172 3ACC 5GP 0.01639 0.42373 3.8674
173 1T57 FMN 0.01005 0.40167 3.8835
174 4N7C AEF 0.02091 0.43792 3.97727
175 2W8Q SIN 0.0001451 0.47764 4
176 1GVF PGH 0.002687 0.46498 4
177 2QS8 MET 0.0001189 0.4484 4
178 4WBD CIT 0.02368 0.44086 4
179 1VBH PEP 0.01478 0.43499 4
180 4W6Z ETF 0.03947 0.43475 4
181 4LCQ URQ 0.0003572 0.43309 4
182 3P7I P7I 0.01339 0.43225 4
183 2DVZ GLU 0.009644 0.42988 4
184 2Z5Y HRM 0.0005203 0.42785 4
185 2OWZ CIT 0.00212 0.42631 4
186 3DG6 MUC 0.01144 0.41875 4
187 4C2G ALA ALA ALA ALA 0.0274 0.41348 4
188 1V5F TPP 0.0005701 0.4112 4
189 1V5F FAD 0.0005701 0.4112 4
190 2NCD ADP 0.04824 0.40987 4
191 2XNJ FAD 0.04333 0.40808 4
192 4BT5 23B 0.0368 0.40756 4
193 3CQ5 PMP 0.04199 0.4049 4
194 4WVH ASP HIS ASP ALA HIS ALA 0.04682 0.40271 4
195 4INB 1F6 0.01305 0.40322 4.10959
196 4C25 13P 0.001481 0.41329 4.24528
197 3I8T LBT 0.0001141 0.52919 4.26829
198 2AZ3 CDP 0.0354 0.41227 4.26829
199 3VPD CIT 0.0005384 0.54927 4.4
200 2VMD MBG 0.002712 0.49954 4.4
201 3VPD BUA 0.01576 0.48066 4.4
202 4MOB ADP 0.0005406 0.46703 4.4
203 2PNZ 5GP 0.001954 0.46584 4.4
204 4CIB 7UZ 0.004148 0.46171 4.4
205 2PNZ UDP 0.0001579 0.45525 4.4
206 3A2Q ACA ACA 0.00129 0.44963 4.4
207 3OIG IMJ 0.00008929 0.43894 4.4
208 4QDF 30Q 0.0003524 0.43819 4.4
209 1MG1 MAL 0.001381 0.43308 4.4
210 1P9B HDA 0.01636 0.43285 4.4
211 3L6R MLI 0.02656 0.43252 4.4
212 3QV9 QV7 0.02372 0.42499 4.4
213 3OAI MAL 0.04993 0.42329 4.4
214 4AF0 MOA 0.001918 0.42136 4.4
215 4QDC ASD 0.00114 0.42134 4.4
216 2G36 TRP 0.03018 0.41989 4.4
217 2NZU BG6 0.02488 0.41954 4.4
218 3VPD ANP 0.0068 0.41088 4.4
219 3WCS MAN NAG 0.03913 0.41019 4.4
220 4IXW IXW 0.03388 0.40922 4.4
221 2PWY SAH 0.005475 0.40833 4.4
222 2GGH NLQ 0.0005015 0.40642 4.4
223 3L02 SN0 0.001423 0.40584 4.4
224 3L02 CP 0.001423 0.40584 4.4
225 3WCS MAN NAG GAL 0.03514 0.40481 4.4
226 4C0C WVH 0.0001521 0.40326 4.4
227 4EKV BTN 0.0003611 0.42097 4.40252
228 3UIE ANP 0.01394 0.42277 4.5
229 3NGU ADP 0.001494 0.45589 4.63576
230 1O7N IND 0.003334 0.41915 4.63918
231 4WNB 4BN 0.00991 0.41424 4.65116
232 4LFL TG6 0.02684 0.41007 4.65116
233 4FUA PGH 0.00295 0.40907 4.65116
234 1V2G OCA 0.01969 0.41233 4.73684
235 2ZWS PLM 0.01781 0.4699 4.8
236 4O8A 2OP 0.01067 0.46653 4.8
237 3K3G MMU 0.003741 0.46101 4.8
238 2BO4 FLC 0.00781 0.46007 4.8
239 2WIC GNP 0.000451 0.44507 4.8
240 4B7J G39 0.00009949 0.43755 4.8
241 3UXL CFI 0.00001485 0.43615 4.8
242 1NML CIT 0.02249 0.42162 4.8
243 3PLN U5P 0.02409 0.4202 4.8
244 4LIT AKG 0.0315 0.41897 4.8
245 3PXP MYR 0.007837 0.41833 4.8
246 2PUL ACP 0.01195 0.41437 4.8
247 1JIL 485 0.01424 0.40176 4.8
248 2HXT EHM 0.02898 0.40167 4.8
249 2I4O ATP 0.04154 0.40154 4.8
250 2HVW DDN 0.0022 0.44885 4.8913
251 3QVL 5HY 0.0001576 0.40997 4.89796
252 1IM8 SAI 0.01247 0.40105 4.91803
253 1Y2W NAG 0.01472 0.44023 4.92958
254 5D6C 57S 0.03663 0.43658 5
255 2O66 FLC 0.002371 0.47344 5.18518
256 2IMP LAC 0.0002053 0.47191 5.2
257 1RRC ADP 0.0001189 0.4718 5.2
258 4CCO OGA 0.008284 0.44205 5.2
259 1RZM E4P 0.03436 0.42667 5.2
260 3GTD MLI 0.02235 0.42625 5.2
261 4IU0 ABH 0.003114 0.42023 5.2
262 4KCT PYR 0.02024 0.41953 5.2
263 2QQF A1R 0.003122 0.41107 5.2
264 2C9O ADP 0.001034 0.41003 5.2
265 1U3I GSH 0.04988 0.40915 5.21327
266 2YCD GTB 0.0134 0.41958 5.21739
267 2QGI UDP 0.03735 0.41534 5.24194
268 3GD8 BOG 0.0004076 0.53513 5.38117
269 3GD8 GOL 0.001632 0.4238 5.38117
270 1NPL MAN 0.0002406 0.52929 5.50459
271 1ECM TSA 0.01967 0.4201 5.50459
272 3VOZ 04A 0.0002945 0.47522 5.6
273 1M1B SPV 0.006101 0.45361 5.6
274 3VKX T3 0.0007767 0.44792 5.6
275 3BK2 U5P 0.003993 0.44229 5.6
276 1WL4 COA 0.0001767 0.40397 5.6
277 4MWV BCZ 0.0006321 0.40366 5.6
278 2PYY GLU 0.02821 0.40297 5.6
279 2BII MTV 0.008514 0.40149 5.6
280 1QY1 PRZ 0.01283 0.40058 5.6
281 2OFD NGA 0.01078 0.447 5.6338
282 2OFE NAG 0.01634 0.43795 5.6338
283 1KDK DHT 0.007851 0.40559 5.64972
284 1SC3 MLI 0.009194 0.46292 5.68182
285 4BMO FMN 0.003465 0.40952 5.88235
286 4AIG FLX 0.003612 0.44879 5.97015
287 1DUC DUD 0.001515 0.43701 5.97015
288 9LDB OXM 0.01251 0.47043 6
289 2V9M CIT 0.001244 0.46926 6
290 3O03 GCO 0.01284 0.46205 6
291 1ONX ASP 0.0000923 0.4593 6
292 9LDT OXM 0.02225 0.45591 6
293 1LDM OXM 0.003202 0.4511 6
294 4RJK PYR 0.01796 0.44732 6
295 3SBZ MLI 0.02912 0.44219 6
296 1TO9 HMH 0.02209 0.43138 6
297 2DTJ THR 0.009158 0.43088 6
298 2F2U M77 0.01571 0.42045 6
299 3JDW ORN 0.01139 0.41523 6
300 2QCX PF1 0.04757 0.41017 6
301 4KCF FMN 0.01693 0.40814 6
302 1G6O ADP 0.004281 0.40638 6
303 1D3V ABH 0.004767 0.40479 6
304 3HPF GAE 0.0008719 0.40459 6
305 3NFZ 3NF 0.03608 0.40086 6
306 1RQH PYR 0.02712 0.43204 6.12245
307 4EXO PYR 0.04187 0.42746 6.16438
308 1Y7P RIP 0.0112 0.45834 6.27803
309 3NOJ PYR 0.003866 0.46033 6.30252
310 3CL7 HYN 0.00001385 0.4959 6.4
311 3UBW 6SP 0.01554 0.47341 6.4
312 2Q28 ADP 0.00134 0.44091 6.4
313 1WDA BAG 0.01034 0.43287 6.4
314 3CL5 SIO 0.03614 0.42552 6.4
315 4M2K PLP 0.01722 0.42274 6.4
316 3OZG SSI 0.00807 0.42138 6.4
317 5E65 5N6 GAL 0.008474 0.41871 6.4
318 4NES UDP 0.01056 0.41314 6.4
319 2H6T IVA VAL VAL STA ALA STA 0.0122 0.41062 6.4
320 1NW5 SAM 0.01049 0.40684 6.4
321 2X61 CH 0.0004268 0.40352 6.4
322 2ALG HP6 0.003381 0.42219 6.52174
323 2ALG DAO 0.003381 0.42219 6.52174
324 4KGM ATP 0.02305 0.40935 6.53061
325 2YDW WSH 0.01408 0.42258 6.53595
326 4LKK SIA GAL 0.004073 0.42602 6.54762
327 3SCH TB6 0.001968 0.48385 6.56566
328 1C1L GAL BGC 0.01029 0.45389 6.56934
329 2FOI JPA 0.01458 0.4219 6.66667
330 4P87 4NP 0.0003988 0.43809 6.73317
331 1JAC AMG 0.03775 0.44248 6.76692
332 1UGX GAL MGC 0.000329 0.43423 6.76692
333 3TA2 AKG 0.002407 0.40653 6.77966
334 1RYI GOA 0.005811 0.50688 6.8
335 3MAG 3MA 0.03865 0.44188 6.8
336 2EFJ 37T 0.01467 0.43038 6.8
337 2WM1 13P 0.0174 0.42688 6.8
338 3JQ3 ADP 0.01157 0.42636 6.8
339 3MAG SAH 0.00412 0.42234 6.8
340 4A8H PUW 0.0006995 0.41934 6.8
341 1NHZ 486 0.005732 0.41057 6.8
342 3MCT 3MC 0.04338 0.40805 6.8
343 2EFJ SAH 0.0191 0.4028 6.8
344 1MZV AMP 0.01724 0.41866 6.80851
345 2FPU HSO 0.04898 0.41858 6.81818
346 2FR6 URI 0.004631 0.42385 6.84932
347 2FR6 CTN 0.01317 0.4061 6.84932
348 1YOA FAD 0.007975 0.40534 6.91824
349 2V5E SCR 0.01413 0.46736 6.93069
350 5RHN 8BR 0.003161 0.43806 6.95652
351 3QDY CBS 0.01719 0.44235 6.99301
352 3QDV NDG 0.01906 0.44001 6.99301
353 3QDW A2G 0.03795 0.43571 6.99301
354 3QDW NDG 0.02322 0.43556 6.99301
355 3QDX CBS 0.02407 0.43474 6.99301
356 3QDT A2G GAL 0.0359 0.43109 6.99301
357 2ZSC BTN 0.01062 0.42012 7.0922
358 3NX2 FER 0.03707 0.40871 7.14286
359 1UUY PPI 0.009736 0.46875 7.18563
360 1O9U ADZ 0.007639 0.4746 7.2
361 3EYK EYK 0.007761 0.45414 7.2
362 3MD0 GDP 0.01165 0.43052 7.2
363 1OTH PAO 0.0006 0.41717 7.2
364 4LO6 SIA GAL 0.003324 0.48278 7.36842
365 2WCI GSH 0.02637 0.42275 7.40741
366 4R3L COA 0.02312 0.40099 7.51445
367 2GN2 C5P 0.001124 0.45202 7.6
368 2Z9V PXM 0.01071 0.43682 7.6
369 2IZ1 ATR 0.02771 0.42642 7.6
370 4OB6 S2T 0.01053 0.41663 7.6
371 3EJ0 11X 0.007629 0.44628 7.65306
372 1LYX PGA 0.0143 0.41466 7.66129
373 1WHT BZS 0.02464 0.42899 7.84314
374 2WCV FUC 0.04816 0.40214 7.85714
375 2FUE M1P 0.007543 0.45476 8
376 1H16 PYR 0.02827 0.4367 8
377 1L1Q 9DA 0.007631 0.41212 8.06452
378 4COQ SAN 0.004879 0.46421 8.09717
379 2FWP CIT 0.00002651 0.46169 8.19672
380 2FWP ICR 0.00002001 0.45133 8.19672
381 3NJQ NJQ 0.00002695 0.47714 8.29016
382 1YFZ IMP 0.009316 0.44472 8.29268
383 3WKX FUB 0.03266 0.42281 8.4
384 1PX8 XYP 0.03487 0.41681 8.4
385 2JBH 5GP 0.02721 0.41362 8.44444
386 4IEN GDP 0.003625 0.40473 8.58896
387 2BZ1 TAU 0.009657 0.48602 8.67347
388 1JSH SIA GAL 0.0008472 0.4408 8.8
389 2YBQ SAH 0.01501 0.40089 8.8
390 1NME 159 0.004159 0.43724 8.90411
391 1TH8 ADP 0.03684 0.40389 8.96552
392 1FWE HAE 0.00697 0.4407 9
393 2WL9 MBD 0.0001349 0.4615 9.2
394 2DWU DGL 0.01411 0.42671 9.2
395 4NTX AMR 0.04274 0.41037 9.2
396 5DRN 5CT 0.04806 0.43301 9.30233
397 1Y75 NAG 0.006458 0.44221 9.32203
398 4Q3F TLA 0.01308 0.44281 9.40171
399 2HVK TBA 0.0001208 0.54419 9.43396
400 1XIU REA 0.01835 0.4035 9.56522
401 1V1A KDG 0.0006058 0.45198 9.6
402 2HGS GSH 0.01928 0.40917 9.6
403 1GZ4 FUM 0.02725 0.40694 9.6
404 1V1A ADP 0.003295 0.40215 9.6
405 2XDQ MGX 0.01567 0.45723 10
406 1VCO GLN 0.0003639 0.43942 10
407 2HFK E4H 0.01162 0.43514 10
408 3ZGE ASP 0.0431 0.42677 10
409 1AUA BOG 0.04576 0.40694 10
410 3S9K CIT 0.01013 0.49238 10.1695
411 4F2Q QUS 0.01864 0.4098 10.4
412 1TUV VK3 0.03572 0.43719 10.5263
413 3SQG COM 0.04191 0.43981 10.8
414 2FH5 GTP 0.00007119 0.4137 10.8108
415 4GO7 THR 0.04397 0.40042 11
416 4A3X LAT 0.02942 0.44193 11.0132
417 3VGL BGC 0.0003585 0.43304 11.2
418 3PC3 P1T 0.005848 0.41333 11.2
419 1K27 MTM 0.001142 0.40872 11.2
420 3TXO 07U 0.03072 0.40059 11.2
421 3MMR ABH 0.001223 0.42494 11.6
422 2YIV NBN 0.0462 0.41992 11.6
423 1T0S BML 0.001628 0.50307 11.6279
424 1SJW NGV 0.005023 0.42982 11.8056
425 2J5S KTA 0.003302 0.42958 12
426 2PR5 FMN 0.007223 0.41631 12.1212
427 1ZJ6 G3D 0.002529 0.45083 12.2995
428 3EM1 TYD 0.001209 0.43 12.3288
429 4M7F BM3 0.00008172 0.53597 12.3894
430 2FGQ MLT 0.004171 0.4676 12.4
431 1OFH ADP 0.0005334 0.43723 12.6437
432 2Q37 3AL 0.01947 0.42918 12.7072
433 3EW2 BTN 0.01121 0.43128 13.3333
434 1Q6O LG6 0.02328 0.40243 13.4259
435 1ZUW DGL 0.0202 0.41957 13.6
436 3GM5 CIT 0.0188 0.4349 13.8365
437 2TOH HBI 0.001824 0.42212 14
438 2WEL K88 0.01784 0.41951 14
439 2ZX7 ZX7 0.002363 0.40289 14.4
440 1BTN I3P 0.008321 0.49634 15.0943
441 1WNG SAH 0.001555 0.43845 15.2
442 2PFC PLM 0.02424 0.4084 15.847
443 3DGB MUC 0.0218 0.4104 16
444 4TSK TLA 0.009731 0.40809 16.5714
445 4A6F SEP 0.02436 0.45361 16.6667
446 3DDN HPV 0.0187 0.43002 16.8
447 3T2W BTN 0.0246 0.41176 17.2131
448 1GPJ CIT 0.02223 0.43124 17.6
449 1F7K UMP 0.00292 0.41651 17.6471
450 1C3M MAN MAN 0.01613 0.41246 17.6871
451 4A6D SAM 0.004072 0.42253 18.4136
452 1ML4 PAL 0.00476 0.40904 19.6
453 1HBK COA 0.01976 0.43312 20.2247
454 1SOW OXL 0.03345 0.4388 20.4
455 1ULE GLA GAL NAG 0.0159 0.43856 20.6667
456 3LTW HLZ 0.004242 0.46723 20.8
457 1H2K OGA 0.03687 0.42014 21.9512
458 1NXJ GLV 0.02344 0.4166 22.4044
459 1NXJ TLA 0.0201 0.40347 22.4044
460 3RF4 FUN 0.02173 0.42232 23.2759
461 3NCQ ATP 0.01098 0.40311 24.3697
462 2FYU FDN 0.01174 0.40806 25
463 2FMD MAN MAN 0.0005658 0.45516 30.4167
464 3LA3 2FT 0.03255 0.40268 33.7449
465 4CYD CMP 0.009681 0.41075 33.7778
466 1G0V NAG 0.01035 0.47758 35.4839
Pocket No.: 3; Query (leader) PDB : 2H6B; Ligand: 3C4; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2h6b.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2H6B; Ligand: 3C4; Similar sites found: 112
This union binding pocket(no: 4) in the query (biounit: 2h6b.bio2) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1H8P PC 0.001755 0.47981 None
2 3CBG 4FE 0.01364 0.44163 None
3 2QLX RM4 0.01497 0.41899 None
4 3A0E M3M 0.0275 0.40119 None
5 2ZE3 AKG 0.01874 0.4039 1.6
6 3PMA SCR 0.01755 0.40051 1.6
7 2Y7P SAL 0.002059 0.44048 1.83486
8 3I0O SMI 0.01337 0.41045 2
9 1X8X TYR 0.00638 0.40989 2
10 2IUW AKG 0.008635 0.40903 2.10084
11 1Y1A GSH 0.002954 0.4949 2.18579
12 1ZS6 ADP 0.01229 0.40264 2.36686
13 1Z42 HBA 0.01181 0.45152 2.4
14 3O2K DST 0.001522 0.4461 2.4
15 1Z44 NPO 0.01825 0.44315 2.4
16 3TKA CTN 0.03851 0.42244 2.4
17 4FGC PQ0 0.002381 0.44368 2.42424
18 3UWB BB2 0.02592 0.40237 2.5974
19 3BRE C2E 0.0007549 0.47292 2.8
20 1DXY COI 0.008833 0.44371 2.8
21 4M5P MLA 0.0331 0.42075 2.8
22 1ZED PNP 0.01515 0.41874 2.8
23 2GWD GLU 0.007551 0.41145 2.8
24 1O68 KIV 0.01164 0.40821 2.90909
25 1QB7 ADE 0.006596 0.4093 2.9661
26 2YLD CMO 0.0024 0.44991 3.14961
27 4N7U 2JA 0.01065 0.43952 3.15789
28 1H8G CHT 0.03646 0.42603 3.15789
29 1R37 ETX 0.001206 0.46359 3.2
30 4JLV ADP 0.01812 0.439 3.2
31 5D63 FUC GAL GLA 0.003701 0.42432 3.2
32 4RNV FMN 0.003108 0.40714 3.2
33 4KSY 1SY 0.01259 0.40221 3.30579
34 1NF8 ISC 0.0068 0.40447 3.38164
35 4P9Z NMI PTR 02K ASN NH2 0.01398 0.40478 3.4188
36 3L24 GOA 0.03176 0.41492 3.6
37 2EB5 OXL 0.0213 0.40632 3.6
38 1H2B OCA 0.01888 0.40376 3.6
39 1WTC ACP 0.03321 0.40237 3.6
40 1VQ2 DDN 0.002939 0.40606 3.62694
41 1UAY ADN 0.00169 0.4234 3.71901
42 1V7R CIT 0.03523 0.41927 3.76344
43 1II5 GLU 0.006705 0.42376 3.86266
44 3I7S PYR 0.0001603 0.52239 4
45 1QRD DQN 0.02435 0.41459 4
46 1TDF NAP 0.007224 0.40784 4
47 4WBD ADP 0.02604 0.40747 4
48 1E4E PHY 0.004775 0.40227 4
49 4E28 9MZ 0.007333 0.42766 4.4
50 3A1I UNU 0.002531 0.42606 4.4
51 2R00 OEG 0.01261 0.42255 4.4
52 4LHM AZZ 0.0103 0.41549 4.4
53 1FBL HTA 0.004847 0.4147 4.4
54 1HQL GLA MBG 0.01968 0.4133 4.4
55 2VQ5 HBA 0.01958 0.4134 4.47761
56 2VQ5 LDP 0.03828 0.41068 4.47761
57 1EYQ NAR 0.003838 0.42367 4.5045
58 3RK0 AMP 0.008836 0.40002 4.64135
59 1B74 DGN 0.004099 0.45296 4.8
60 1RYD GLC 0.006337 0.43057 4.8
61 3NNF AKG 0.01215 0.41758 4.8
62 1V6A TRE 0.02207 0.40073 4.8
63 2W3L DRO 0.03897 0.41027 4.86111
64 3UDG TMP 0.008002 0.44592 5.2
65 4CCN OGA 0.003586 0.44192 5.2
66 1Z45 GAL 0.002375 0.43783 5.2
67 2ZJ5 ADP 0.009758 0.41653 5.2
68 1RZM PEP 0.01564 0.40268 5.2
69 1T0I FMN 0.0016 0.41149 5.2356
70 1NPL MAN MAN 0.01816 0.42094 5.50459
71 1Y13 BIO 0.007858 0.40624 5.52486
72 1I1Q TRP 0.004292 0.42165 5.6
73 3BHO B4P 0.01054 0.44767 5.76923
74 2XRH NIO 0.00149 0.46667 6
75 1NOW IFG 0.008611 0.41383 6
76 1TRD PGH 0.006779 0.40453 6
77 2WOR 2AN 0.02856 0.40042 6
78 4F8L GAL 0.01831 0.44306 6.2069
79 3R51 MMA 0.02026 0.42507 6.25
80 3W2W ATP 0.003273 0.4169 6.4
81 1SQ5 PAU 0.007993 0.41522 6.4
82 1UBY DMA 0.001976 0.41225 6.4
83 1ZZ7 S0H 0.01023 0.41062 6.56566
84 2VDJ HSE 0.03377 0.40749 6.8
85 3QDV A2G 0.007251 0.44812 6.99301
86 3QDX A2G GAL 0.008942 0.43621 6.99301
87 3QDY A2G GAL 0.01751 0.42172 6.99301
88 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.04467 0.40138 7.14286
89 4QVH FLC 0.04499 0.42215 7.2
90 1MOQ GLP 0.001777 0.4099 7.2
91 4M51 BEZ 0.003085 0.45905 7.6
92 5EQU AKG 0.01345 0.42742 7.6
93 2O2C G6Q 0.004568 0.40298 8
94 1P72 THM 0.01468 0.40386 8.4
95 3SJ0 DXC 0.004113 0.44572 8.4507
96 2X2T GAL NGA 0.03196 0.41477 8.49673
97 2XI7 XI7 0.008483 0.46196 8.69565
98 1C3V PDC 0.001745 0.44966 8.97959
99 2OKK ABU 0.02271 0.4161 9.6
100 1XE7 GUN 0.00621 0.45159 10.3448
101 1KC7 PPR 0.002774 0.45385 10.4
102 1I0Z OXM 0.00977 0.44145 10.4
103 1A5V Y3 0.01193 0.41264 10.7595
104 2YIV YIV 0.001868 0.46981 11.6
105 1PTR PRB 0.02157 0.41139 12
106 2NW9 FT6 0.009487 0.41707 13.6
107 3UEC ALA ARG TPO LYS 0.004258 0.44501 14.3836
108 3E81 SLB 0.003096 0.43864 15.8537
109 3I6B KDO 0.01131 0.40874 16.1111
110 1ZGA HMK 0.002021 0.42508 17.2
111 1H2M OGA 0.01148 0.41871 17.3077
112 4DYO SD4 0.01362 0.40078 24
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