Receptor
PDB id Resolution Class Description Source Keywords
3I6B 2.49 Å EC: 3.1.3.45 CRYSTAL STRUCTURE OF YRBI LACKING THE LAST 8 RESIDUES, IN CO KDO AND INORGANIC PHOSPHATE ESCHERICHIA COLI YRBI KDSC KDO PHOSPHATASE HYDROLASE LIPOPOLYSACCHARIDE BIOSYNTHESIS MAGNESIUM
Ref.: THE TAIL OF KDSC: CONFORMATIONAL CHANGES CONTROL TH ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHO J.BIOL.CHEM. V. 284 30594 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KDO B:900;
D:900;
Valid;
Valid;
none;
none;
submit data
238.192 C8 H14 O8 C1[C@...
MG A:201;
B:202;
C:204;
D:203;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
PO4 A:800;
B:800;
C:800;
D:800;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3I6B 2.49 Å EC: 3.1.3.45 CRYSTAL STRUCTURE OF YRBI LACKING THE LAST 8 RESIDUES, IN CO KDO AND INORGANIC PHOSPHATE ESCHERICHIA COLI YRBI KDSC KDO PHOSPHATASE HYDROLASE LIPOPOLYSACCHARIDE BIOSYNTHESIS MAGNESIUM
Ref.: THE TAIL OF KDSC: CONFORMATIONAL CHANGES CONTROL TH ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHO J.BIOL.CHEM. V. 284 30594 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3I6B - KDO C8 H14 O8 C1[C@H]([C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3I6B - KDO C8 H14 O8 C1[C@H]([C....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4UMD - CIT C6 H8 O7 C(C(=O)O)C....
2 4UME - KDO C8 H14 O8 C1[C@H]([C....
3 4UMF - KDO C8 H14 O8 C1[C@H]([C....
4 3I6B - KDO C8 H14 O8 C1[C@H]([C....
5 4HGP - KDO C8 H14 O8 C1[C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: KDO; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 KDO 1 1
2 KDN 0.64 0.96875
3 KDM 0.64 0.96875
4 KDE 0.467742 0.864865
5 SLB 0.435484 0.704545
6 SIA 0.435484 0.704545
7 KDF 0.428571 0.833333
8 KDO KDO KDO 0.422535 0.8
9 NGC 0.421875 0.688889
10 18D 0.409091 0.673913
11 42D 0.409091 0.645833
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3I6B; Ligand: KDO; 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: 3i6b.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3I6B; Ligand: KDO; Similar sites found: 617
This union binding pocket(no: 2) in the query (biounit: 3i6b.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1Q0H NDP 0.002023 0.46567 None
2 2ALG HP6 0.0004402 0.46163 None
3 2ALG DAO 0.0004402 0.46163 None
4 1UO5 PIH 0.004434 0.45075 None
5 4BAS GNP 0.001289 0.44209 None
6 3SJ0 DXC 0.001501 0.43765 None
7 1ZS6 ADP 0.0002242 0.43734 None
8 1UO4 PIH 0.005219 0.43727 None
9 1AX2 NDG GAL 0.0006442 0.43183 None
10 3IOI 1GW 0.005433 0.43059 None
11 1SBZ FMN 0.007089 0.4255 None
12 4Q3F TLA 0.002127 0.42402 None
13 5FIT AP2 0.001771 0.42314 None
14 1Q0H FOM 0.01746 0.42075 None
15 1OGZ EQU 0.002589 0.41652 None
16 1RYD GLC 0.00434 0.41099 None
17 1A8R GTP 0.006602 0.41055 None
18 3RGG AIR 0.003246 0.41002 None
19 3ZCB ATP 0.0133 0.40865 None
20 2ZB4 5OP 0.04891 0.40725 None
21 2FWP CIT 0.02055 0.40391 None
22 1C1L GAL BGC 0.009203 0.40319 None
23 1ZEI CRS 0.01177 0.40156 None
24 2FWP ICR 0.02917 0.40147 None
25 3ZC7 ATP 0.01847 0.40147 None
26 2R42 FPS 0.0007022 0.45109 1.01266
27 2BO4 FLC 0.0005794 0.45572 1.11111
28 2PT9 2MH 0.002922 0.44494 1.11111
29 2PT9 S4M 0.001924 0.44174 1.11111
30 2PFC PLM 0.0008008 0.43698 1.11111
31 1E7S NAP 0.008731 0.42151 1.11111
32 1UZN NAP 0.004663 0.41082 1.11111
33 1QJC PNS 0.02188 0.42114 1.26582
34 2QHD DAO 0.02758 0.42863 1.63934
35 1B9I PXG 0.000279 0.47393 1.66667
36 2XVE FAD 0.003406 0.46458 1.66667
37 4M5P MLA 0.002386 0.45424 1.66667
38 4C0X AQN 0.001732 0.45111 1.66667
39 4C0X FMN 0.001268 0.45111 1.66667
40 1Y9Q MED 0.002703 0.41964 1.66667
41 1WUR 8DG 0.004913 0.41947 1.66667
42 2DWU DGL 0.0009742 0.41601 1.66667
43 1BGQ RDC 0.008321 0.41591 1.66667
44 1QRD FAD 0.00917 0.40962 1.66667
45 1QB7 ADE 0.00338 0.40933 1.66667
46 4C0C WVH 0.03429 0.40635 1.66667
47 3LIH RAF 0.00438 0.41606 1.73502
48 3DDC GNP 0.004581 0.4256 1.84049
49 3R51 MMA 0.0009915 0.463 1.875
50 4K30 NLG 0.0002624 0.42688 1.875
51 4G28 0W8 0.0003461 0.43278 2.01342
52 3UEC ALA ARG TPO LYS 0.003303 0.42268 2.05479
53 2OFE NAG 0.001664 0.4285 2.11268
54 4PO2 ASN ARG LEU LEU LEU THR GLY 0.0001089 0.48918 2.22222
55 1JIL 485 0.0002767 0.46792 2.22222
56 4AF5 CIT 0.0002202 0.46539 2.22222
57 2EFJ SAH 0.0005428 0.45132 2.22222
58 3N0S ACO 0.01613 0.43182 2.22222
59 3CL7 HYN 0.003942 0.42683 2.22222
60 3QWI CUE 0.02942 0.42304 2.22222
61 1F8F NAD 0.02261 0.42151 2.22222
62 1QF9 C5P 0.02669 0.41887 2.22222
63 3NOJ PYR 0.001709 0.41829 2.22222
64 2Q1A 2KT 0.00451 0.41029 2.22222
65 2CHG ANP 0.01983 0.40911 2.22222
66 2ZJ3 G6P 0.007414 0.40844 2.22222
67 1N71 COA 0.01982 0.40746 2.22222
68 2W8Q SIN 0.008718 0.4055 2.22222
69 1HEX NAD 0.01729 0.4035 2.22222
70 3H22 B53 0.005046 0.40239 2.22222
71 1VR0 3SL 0.004424 0.402 2.22222
72 1VPM COA 0.007366 0.41367 2.36686
73 4JCA CIT 0.001177 0.46955 2.39521
74 2NLI FMN 0.0004168 0.50458 2.77778
75 2NLI LAC 0.0004519 0.50458 2.77778
76 2IZ1 ATR 0.00004588 0.49399 2.77778
77 3RFV NAI 0.0001958 0.48772 2.77778
78 2Q8H TF4 0.0005783 0.47414 2.77778
79 1C0I BE2 0.005658 0.44331 2.77778
80 1C0I FAD 0.005658 0.44331 2.77778
81 2YBQ UP2 0.004604 0.43847 2.77778
82 3RFV 15L 0.002641 0.43739 2.77778
83 3IB8 AMP 0.0009745 0.43613 2.77778
84 3FXU TSU 0.00365 0.42826 2.77778
85 2YBQ SAH 0.002599 0.42743 2.77778
86 1EDO NAP 0.02941 0.42342 2.77778
87 1O9U ADZ 0.006725 0.42341 2.77778
88 4KQI NIO 0.008712 0.42033 2.77778
89 4KQI RBZ 0.008712 0.42033 2.77778
90 2QDT I38 0.002762 0.42011 2.77778
91 2J7T 274 0.008271 0.41877 2.77778
92 4O1M NAD 0.009139 0.41817 2.77778
93 2WPX ACO 0.01291 0.41524 2.77778
94 4GCS 1RG 0.008184 0.41251 2.77778
95 1NNS ASP 0.0006961 0.41121 2.77778
96 1VBH PEP 0.001563 0.40856 2.77778
97 4ITM ATP 0.02733 0.40638 2.77778
98 1ZZ7 S0H 0.00291 0.40627 2.77778
99 2NX1 RP5 0.01608 0.40487 2.77778
100 3BL6 FMC 0.008345 0.40445 2.77778
101 1QH9 LAC 0.006703 0.40305 2.77778
102 4I71 AGV 0.00975 0.40165 2.77778
103 3QDY A2G GAL 0.002755 0.43361 2.7972
104 3QDT A2G GAL 0.005781 0.41893 2.7972
105 3QDY CBS 0.0085 0.4047 2.7972
106 1JGS SAL 0.001331 0.47819 2.89855
107 1RZM E4P 0.00007268 0.49509 3.33333
108 1NZY BCA 0.0002556 0.48272 3.33333
109 3WE0 FAD 0.001981 0.46233 3.33333
110 2IMP NAI 0.005953 0.46155 3.33333
111 1V35 NAI 0.002053 0.45961 3.33333
112 2C7G ODP 0.005055 0.45212 3.33333
113 2C7G FAD 0.005244 0.45212 3.33333
114 2W1A TSA 0.0005261 0.44148 3.33333
115 1V1A ADP 0.002741 0.43963 3.33333
116 1F06 NDP 0.01076 0.4392 3.33333
117 2OYS FMN 0.001774 0.43628 3.33333
118 1I0Z OXM 0.003679 0.4359 3.33333
119 1P72 ADP 0.003947 0.43543 3.33333
120 1D3V ABH 0.00294 0.43385 3.33333
121 4P3H 25G 0.008802 0.43361 3.33333
122 3W54 RNB 0.00005325 0.43274 3.33333
123 4WBD ADP 0.001984 0.43236 3.33333
124 1P72 THM 0.0007173 0.43001 3.33333
125 4CIB 7UZ 0.0004472 0.4298 3.33333
126 3F8D FAD 0.04584 0.42795 3.33333
127 3GWT 066 0.00599 0.42748 3.33333
128 9LDT OXM 0.009199 0.42496 3.33333
129 3IL6 B83 0.003033 0.42463 3.33333
130 3AHC TPP 0.006709 0.42404 3.33333
131 1NN5 2DT 0.007072 0.42304 3.33333
132 1NN5 ANP 0.007072 0.42304 3.33333
133 9LDB NAD 0.008056 0.42183 3.33333
134 1WVG APR 0.006202 0.41995 3.33333
135 1AOE GW3 0.03127 0.41894 3.33333
136 3LM9 ADP 0.0002245 0.41882 3.33333
137 3P3N AKG 0.002998 0.41775 3.33333
138 2XSU PIE 0.02091 0.41658 3.33333
139 1V1A KDG 0.00523 0.41569 3.33333
140 3UCJ AZM 0.002209 0.41391 3.33333
141 1O68 KIV 0.001877 0.4137 3.33333
142 1OWB NAD 0.01387 0.41085 3.33333
143 2X61 NGA GAL SIA 0.04075 0.41065 3.33333
144 2X61 CH 0.01657 0.41034 3.33333
145 1OYB FMN 0.000005349 0.40991 3.33333
146 1RZM PEP 0.002549 0.40851 3.33333
147 2Q37 3AL 0.003808 0.40732 3.33333
148 1WVG CXY 0.009529 0.40731 3.33333
149 2JE7 XMM 0.01334 0.40705 3.33333
150 1HQL GLA MBG 0.0005889 0.40624 3.33333
151 1LYX PGA 0.0003838 0.40594 3.33333
152 4LXH C1E 0.007918 0.40346 3.33333
153 4RNX FMN 0.01072 0.40263 3.33333
154 4Q3R XA2 0.01647 0.40171 3.33333
155 4B7E OGA 0.005378 0.40124 3.33333
156 2IMP LAC 0.0117 0.40016 3.33333
157 2ED4 FAD 0.03267 0.40624 3.3557
158 1SC3 MLI 0.001004 0.45358 3.37079
159 3HY3 10F 0.007216 0.41405 3.44828
160 2W3L DRO 0.001351 0.45661 3.47222
161 1DL7 NCH 0.01665 0.4205 3.57143
162 3MBG FAD 0.002455 0.43721 3.59712
163 1UAY ADN 0.0009549 0.43649 3.71901
164 1JN2 SFP 0.001173 0.48765 3.88889
165 1KOL NAD 0.0006893 0.47529 3.88889
166 1X1T NAD 0.004262 0.46513 3.88889
167 1V2G OCA 0.000373 0.4503 3.88889
168 3JDW ORN 0.0005441 0.44889 3.88889
169 1J5P NAD 0.00188 0.44528 3.88889
170 5YAS FAC 0.0004548 0.444 3.88889
171 2YC5 6BC 0.003561 0.44231 3.88889
172 1I9G SAM 0.006064 0.44193 3.88889
173 4K5S PM0 0.01034 0.43373 3.88889
174 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.007828 0.43224 3.88889
175 3L24 GOA 0.005129 0.42902 3.88889
176 1EWF PC1 0.02069 0.42883 3.88889
177 2CSN CKI 0.004039 0.42794 3.88889
178 2BGM NAJ 0.01957 0.42584 3.88889
179 1ZUW DGL 0.001307 0.4229 3.88889
180 3A8U PLP 0.004946 0.42263 3.88889
181 4IS0 1R4 0.004313 0.42185 3.88889
182 3A2Q ACA ACA 0.002978 0.42094 3.88889
183 2DVZ GLU 0.0004351 0.41997 3.88889
184 4HZO COA 0.001335 0.41949 3.88889
185 4K5S FAD 0.01034 0.41944 3.88889
186 1M4I KAN 0.02777 0.41893 3.88889
187 4AQL TXC 0.00337 0.41873 3.88889
188 1SQ5 ADP 0.0002117 0.41812 3.88889
189 4LNL 2BK 0.003222 0.41738 3.88889
190 4LNL 2BO 0.003222 0.41738 3.88889
191 2PTZ PAH 0.00354 0.41571 3.88889
192 1C3V NDP 0.01143 0.41514 3.88889
193 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 0.01719 0.41403 3.88889
194 3WBF API 0.01461 0.41277 3.88889
195 2ZE3 AKG 0.001454 0.41158 3.88889
196 1JP4 AMP 0.01291 0.41137 3.88889
197 5T0A A3P 0.003349 0.41077 3.88889
198 4B9E FAH 0.006188 0.41075 3.88889
199 1Q6O LG6 0.0001361 0.40941 3.88889
200 2Q2Y ADP 0.04522 0.40914 3.88889
201 2Q2Y MKR 0.04353 0.40914 3.88889
202 3WBF NAP 0.01478 0.40776 3.88889
203 3WCS MAN NAG GAL 0.004103 0.40597 3.88889
204 2P41 SAH 0.008742 0.40361 3.88889
205 1XE7 GUN 0.01762 0.4034 3.88889
206 1GAD NAD 0.01645 0.40311 3.88889
207 2FGQ MLT 0.006865 0.40261 3.88889
208 1WG8 SAM 0.02984 0.40144 3.88889
209 2EB5 OXL 0.00774 0.40041 3.88889
210 2YLD CMO 0.003128 0.41698 3.93701
211 3U5S FAD 0.002035 0.43378 3.96825
212 1ULE GLA GAL NAG 0.005003 0.42179 4
213 2IYG FMN 0.0008815 0.40171 4.03226
214 3TA2 AKG 0.002017 0.44541 4.23729
215 2VBQ BSJ 0.02733 0.41728 4.24242
216 1Q2C COA 0.02943 0.40177 4.32099
217 1U7Z PMT 0.01358 0.41418 4.42478
218 2B82 ADN 0.0001285 0.48401 4.44444
219 1I7L ATP 0.0003592 0.46929 4.44444
220 3OZG SSI 0.0002136 0.46545 4.44444
221 1FA2 DOM 0.0007019 0.46532 4.44444
222 3PJU C2E 0.0007221 0.46163 4.44444
223 1UBY DMA 0.0003144 0.46106 4.44444
224 2WQP WQP 0.000793 0.45988 4.44444
225 4AIG FLX 0.0002425 0.45486 4.44444
226 1P9B IMO 0.00104 0.45149 4.44444
227 1V5F TPP 0.0294 0.44643 4.44444
228 1V5F FAD 0.0294 0.44643 4.44444
229 1OLS TDP 0.00509 0.44453 4.44444
230 1Q11 TYE 0.0003225 0.44355 4.44444
231 1T8U A3P 0.001109 0.44284 4.44444
232 2EWM NAD 0.002895 0.44133 4.44444
233 4R33 SAH 0.003334 0.44119 4.44444
234 4R33 TRP 0.003334 0.44119 4.44444
235 3V1U NAD 0.002 0.44102 4.44444
236 2VQ5 HBA 0.001325 0.44002 4.44444
237 3CQD ATP 0.004984 0.43802 4.44444
238 1GJW GLC 0.001607 0.43636 4.44444
239 2O66 FLC 0.0008737 0.4332 4.44444
240 1Q3Q ANP 0.01435 0.43222 4.44444
241 1RBO CAP 0.04574 0.43179 4.44444
242 2DKH FAD 0.005452 0.43174 4.44444
243 1NVU GTP 0.01514 0.42973 4.44444
244 3F3E LEU 0.009423 0.4256 4.44444
245 1T8U UAP SGN IDS SGN 0.0138 0.41914 4.44444
246 4PLG NAI 0.01314 0.4191 4.44444
247 4PLG OXM 0.01314 0.4191 4.44444
248 1R18 SAH 0.005088 0.41883 4.44444
249 2DKH 3HB 0.01511 0.41833 4.44444
250 1HDR NAD 0.02292 0.41763 4.44444
251 2CKM AA7 0.01744 0.41734 4.44444
252 1FP1 HCC 0.004651 0.41498 4.44444
253 1ZGA HMK 0.002952 0.41423 4.44444
254 1XX4 BAM 0.002441 0.41214 4.44444
255 1UOU CMU 0.0002031 0.41129 4.44444
256 3U4C NDP 0.01334 0.40971 4.44444
257 3ZY6 GFB 0.008012 0.4088 4.44444
258 3UIE ADX 0.005157 0.40682 4.44444
259 1P9B GDP 0.006824 0.40612 4.44444
260 3S2Y FMN 0.008285 0.40458 4.44444
261 3UIE ANP 0.00482 0.40318 4.44444
262 1Z42 HBA 0.03351 0.40272 4.44444
263 3DG6 MUC 0.0005623 0.40144 4.44444
264 2Q09 DI6 0.002539 0.40029 4.44444
265 2YGN PCF 0.01326 0.40983 4.48718
266 2UZ2 BTN 0.007432 0.40254 4.61538
267 1Y2W NAG 0.0049 0.40878 4.92958
268 4KCF FMN 0.0001448 0.46679 5
269 4B16 NAG 0.00154 0.46372 5
270 4COQ SAN 0.0002771 0.4612 5
271 1JQ5 NAD 0.01376 0.4597 5
272 1TKB N1T 0.006876 0.4497 5
273 3GE7 AFQ 0.002385 0.44761 5
274 1VM6 NAD 0.005063 0.44624 5
275 1TOI HCI 0.002622 0.44047 5
276 4F8L GAL 0.007078 0.44008 5
277 2AEB ABH 0.003883 0.43887 5
278 4BI7 PGA 0.0007266 0.43295 5
279 2XK9 XK9 0.005787 0.43177 5
280 2A0W DIH 0.007918 0.42515 5
281 3MAG 3MA 0.009896 0.42338 5
282 4DQ2 BTX 0.006769 0.42256 5
283 3L9W AMP 0.01971 0.42163 5
284 2HXT EHM 0.002349 0.42066 5
285 4N02 FNR 0.02279 0.41995 5
286 1T0S BML 0.005602 0.41955 5
287 2VJJ RAM GLC GAL NAG NAG GLC 0.02596 0.41547 5
288 3QKD HI0 0.01861 0.41515 5
289 1JA9 NDP 0.04673 0.41359 5
290 3ICC NAP 0.01328 0.41346 5
291 1JA9 PYQ 0.01104 0.41329 5
292 3MCT SAH 0.007007 0.41125 5
293 1KTC NGA 0.002456 0.40914 5
294 1V6A TRE 0.003624 0.40819 5
295 2WCV FUC 0.003219 0.40746 5
296 2PNZ UDP 0.01351 0.40542 5
297 4LWA Q13 0.0298 0.40489 5
298 2GDZ NAD 0.04097 0.40335 5
299 4KCF AKM 0.03177 0.4015 5
300 1TV5 N8E 0.01488 0.40146 5
301 1YOA FMN 0.03999 0.40028 5.03145
302 1Y75 NAG 0.0008655 0.41713 5.08475
303 1UWZ THU 0.00005727 0.48875 5.14706
304 4F4S EFO 0.000999 0.42439 5.26316
305 1OGD RIP 0.0002376 0.44873 5.34351
306 1ECM TSA 0.0002319 0.43803 5.50459
307 3TCT 3MI 0.004525 0.45282 5.51181
308 2ZWS PLM 0.000687 0.49325 5.55556
309 4W6Z ETF 0.001053 0.46177 5.55556
310 2HGZ PBF 0.0007508 0.45751 5.55556
311 3WO0 ALA 0.002526 0.45012 5.55556
312 3WO0 ADP 0.002526 0.45012 5.55556
313 4TSK NDP 0.006509 0.44843 5.55556
314 1QF5 RPL 0.005197 0.44675 5.55556
315 1QF5 GDP 0.005197 0.44675 5.55556
316 2HVW DDN 0.0006612 0.44295 5.55556
317 1WDA BAG 0.0002114 0.43906 5.55556
318 1NML CIT 0.0005102 0.43578 5.55556
319 3H86 AP5 0.008919 0.43464 5.55556
320 3U1T MLI 0.002174 0.43062 5.55556
321 2HVW DCP 0.001359 0.43029 5.55556
322 1W5T ANP 0.008211 0.42712 5.55556
323 2J8Z NAP 0.006608 0.42301 5.55556
324 1F5F DHT 0.00003269 0.42187 5.55556
325 2V7T SAH 0.04951 0.41999 5.55556
326 1G0N PHH 0.03322 0.41925 5.55556
327 2GSD NAD 0.01204 0.41871 5.55556
328 3VPD ANP 0.004678 0.41862 5.55556
329 3Q3C NAD 0.02887 0.4151 5.55556
330 3RO7 TDR 0.01069 0.41258 5.55556
331 1M1B SPV 0.00128 0.41227 5.55556
332 2OI2 DP6 0.003621 0.41066 5.55556
333 2RCN GDP 0.001201 0.40401 5.55556
334 3LTW HLZ 0.006729 0.40297 5.55556
335 3BY8 MLT 0.000226 0.47358 5.6338
336 3JQM GTP 0.002958 0.4089 5.73248
337 2WGC SIA GAL BGC 0.03127 0.40598 5.84795
338 3RF4 FUN 0.0007738 0.42872 6.03448
339 1KBJ FMN 0.00001829 0.52827 6.11111
340 2BLE 5GP 0.0007677 0.49371 6.11111
341 1TDF NAP 0.002323 0.47783 6.11111
342 1TDF FAD 0.001052 0.47783 6.11111
343 3ZGE ASP 0.0006941 0.46088 6.11111
344 3OND ADN 0.004015 0.45193 6.11111
345 3OND NAD 0.004015 0.45193 6.11111
346 3ZPG 5GP 0.003005 0.44009 6.11111
347 3KDU NKS 0.01291 0.4381 6.11111
348 3SSO SAH 0.001817 0.43584 6.11111
349 1Y1A GSH 0.0124 0.43022 6.11111
350 1YS4 NAP 0.002995 0.42854 6.11111
351 2Q3M MLA 0.005481 0.42765 6.11111
352 5EQU AKG 0.004462 0.42406 6.11111
353 2OWZ CIT 0.002947 0.41806 6.11111
354 2NW9 FT6 0.001169 0.41417 6.11111
355 3I0O SMI 0.003245 0.41014 6.11111
356 1K7L 544 0.02501 0.40979 6.11111
357 1OIK AKG 0.0009553 0.40797 6.11111
358 4USQ FAD 0.02189 0.40603 6.11111
359 2FMD MAN MAN 0.008479 0.40601 6.11111
360 1F1V DHY 0.00216 0.40276 6.11111
361 3W9F I3P 0.03124 0.40258 6.11111
362 1OIK C26 0.007569 0.40222 6.11111
363 1Y42 TYR 0.003876 0.4014 6.11111
364 1UXG NAD 0.01042 0.42464 6.47249
365 1UXG FUM 0.01042 0.42464 6.47249
366 1V2X SAM 0.00005475 0.4972 6.66667
367 1XHL NDP 0.0004612 0.47771 6.66667
368 4GYW UDP 0.0007018 0.4697 6.66667
369 4M51 BEZ 0.0004521 0.46935 6.66667
370 4QVH COA 0.0005124 0.46886 6.66667
371 4CMF PXG 0.002853 0.46051 6.66667
372 1GPJ CIT 0.0004311 0.45314 6.66667
373 1OAA OAA 0.00523 0.44307 6.66667
374 3P7I P7I 0.0004483 0.43797 6.66667
375 4W97 UCA 0.002684 0.43394 6.66667
376 1GEX PLP HSA 0.004097 0.42768 6.66667
377 1YBH CIE 0.01023 0.426 6.66667
378 1YBH P22 0.001458 0.42387 6.66667
379 3C1O NAP 0.005446 0.42084 6.66667
380 3IO3 ADP 0.003387 0.42069 6.66667
381 2NT8 ATP 0.008372 0.41854 6.66667
382 4UBP HAE 0.004598 0.41803 6.66667
383 2PUL ACP 0.004269 0.41239 6.66667
384 3FED BIX 0.004948 0.41187 6.66667
385 4LTN NAI 0.03238 0.40984 6.66667
386 4LTN FMN 0.02768 0.40984 6.66667
387 4WVH ASP HIS ASP ALA HIS ALA 0.001457 0.40844 6.66667
388 1YBH FAD 0.02782 0.40626 6.66667
389 2Z9V PXM 0.003411 0.40357 6.66667
390 2VSS ACO 0.02046 0.40318 6.66667
391 1S7N COA 0.02531 0.40198 6.66667
392 1PEA ACM 0.01386 0.40156 6.66667
393 4INB 1F6 0.00005383 0.49751 6.84932
394 2YYJ FAD 0.005734 0.46343 7.22222
395 2YYJ 4HP 0.005734 0.46343 7.22222
396 2R5N RP5 0.004754 0.45833 7.22222
397 2R5N R5P 0.005553 0.45352 7.22222
398 2R5N TPP 0.005553 0.45352 7.22222
399 1PR9 NAP 0.002086 0.45018 7.22222
400 1OTH PAO 0.0025 0.44544 7.22222
401 4E28 9MZ 0.0007031 0.44422 7.22222
402 1X54 4AD 0.001575 0.44381 7.22222
403 1FM9 570 0.007728 0.44213 7.22222
404 2H6T IVA VAL VAL STA ALA STA 0.001159 0.43779 7.22222
405 1UJ5 5RP 0.0008279 0.4364 7.22222
406 3G9E RO7 0.01497 0.43036 7.22222
407 3D3W NAP 0.006731 0.42526 7.22222
408 4E28 0MZ 0.001472 0.42403 7.22222
409 2BNE U5P 0.00863 0.42349 7.22222
410 4I9A NCN 0.007865 0.41972 7.22222
411 1D6H COA 0.02077 0.4156 7.22222
412 1QO0 BMD 0.003399 0.41546 7.22222
413 2B4Q NAP 0.01283 0.41171 7.22222
414 4TMK T5A 0.01483 0.41133 7.22222
415 3B1F NAD 0.007744 0.41112 7.22222
416 3H0A D30 0.02761 0.40886 7.22222
417 1PL6 NAD 0.008934 0.40849 7.22222
418 4CQM NAP 0.03302 0.40841 7.22222
419 3MD0 GDP 0.001737 0.4054 7.22222
420 1E2S CSN 0.0005183 0.40217 7.22222
421 4E1N TQX 0.001709 0.4388 7.22892
422 3GM5 CIT 0.003186 0.41664 7.54717
423 3O03 NAP 0.0007306 0.46141 7.77778
424 1PFK ADP 0.000337 0.45737 7.77778
425 1LTH NAD 0.004832 0.45149 7.77778
426 2C31 ADP 0.01252 0.44253 7.77778
427 2C31 TZD 0.01286 0.44253 7.77778
428 1IUP ALQ 0.00499 0.42966 7.77778
429 1WVC CTP 0.0322 0.42756 7.77778
430 4KCT PYR 0.0004775 0.42646 7.77778
431 3ZRR PXG 0.003579 0.42164 7.77778
432 4GQB 0XU 0.02135 0.42128 7.77778
433 4PVV HO4 0.03952 0.41239 7.77778
434 4U36 TNR 0.009713 0.4101 7.77778
435 1P9P SAH 0.00935 0.40766 7.77778
436 1E5F PLP 0.0001743 0.40492 7.77778
437 3KYF 5GP 5GP 0.005751 0.40012 7.77778
438 1KHT AMP 0.001359 0.42223 7.8125
439 1TUV VK3 0.004091 0.4337 7.89474
440 2VBU CDP 0.01839 0.42441 8.08823
441 1TU3 GNP 0.0006336 0.46239 8.18713
442 1TIW FAD 0.0009759 0.47092 8.33333
443 1TIW TFB 0.0009759 0.47092 8.33333
444 3L6R MLI 0.000559 0.4564 8.33333
445 4NES UDP 0.0004937 0.45301 8.33333
446 1L1Q 9DA 0.0008367 0.44793 8.33333
447 1SOW NAD 0.003528 0.43885 8.33333
448 4O8A 2OP 0.003237 0.43854 8.33333
449 3OIG NAD 0.01416 0.43385 8.33333
450 1C7R PA5 0.001011 0.43019 8.33333
451 4NES UD1 0.002501 0.42614 8.33333
452 3OIG IMJ 0.007437 0.42577 8.33333
453 2DTX BMA 0.01375 0.42018 8.33333
454 2Y7P SAL 0.001349 0.41931 8.33333
455 1OFH ADP 0.006976 0.41776 8.33333
456 2HGS ADP 0.007734 0.41114 8.33333
457 3Q9T FAY 0.02129 0.41061 8.33333
458 1YGC 905 0.007022 0.40943 8.33333
459 2YIV NBN 0.007179 0.40792 8.33333
460 2NCD ADP 0.003704 0.40781 8.33333
461 2D0V PQQ 0.007919 0.40725 8.33333
462 2FPU HSO 0.000537 0.411 8.52273
463 2F01 BTN 0.01404 0.43718 8.66142
464 1GU3 BGC BGC BGC BGC BGC 0.001571 0.41672 8.72483
465 1ITZ TPP 0.002326 0.46061 8.88889
466 3SQG COM 0.003661 0.44496 8.88889
467 1H2B NAJ 0.003595 0.43974 8.88889
468 1JUV NDP 0.002717 0.43686 8.88889
469 2QS8 MET 0.003373 0.43571 8.88889
470 2Q97 ATP 0.002035 0.43561 8.88889
471 3ZS7 ATP 0.0028 0.42977 8.88889
472 4NTD FAD 0.009561 0.42634 8.88889
473 4ARF IP8 GLY PRO ALA 0.002247 0.42376 8.88889
474 2B7N NTM 0.001714 0.42135 8.88889
475 4IOK ADP 0.01946 0.41692 8.88889
476 3RKR NAP 0.00267 0.41598 8.88889
477 4IOK XPO 0.007818 0.41257 8.88889
478 3CEV ARG 0.001745 0.40597 8.88889
479 4A0M NAD 0.04663 0.40356 8.88889
480 2HEK GDP 0.005535 0.40079 8.88889
481 4DVE BTN 0.005464 0.40101 9.09091
482 1VDC FAD 0.001906 0.46686 9.44444
483 1R37 NAD 0.006005 0.45287 9.44444
484 1QS0 TDP 0.0007582 0.44971 9.44444
485 1R27 MGD 0.005642 0.43452 9.44444
486 3TO7 COA 0.009083 0.42734 9.44444
487 2I4O ATP 0.001592 0.42234 9.44444
488 4AMV F6R 0.002803 0.41984 9.44444
489 3MB5 SAM 0.02227 0.41896 9.44444
490 1Y4Z PCI 0.0002868 0.41616 9.44444
491 4G1V FAD 0.0137 0.4079 9.44444
492 2PHN GDP 0.02638 0.40574 9.44444
493 3VCA PRO 0.003987 0.40367 9.44444
494 1R37 ETX 0.001936 0.40186 9.44444
495 1H2M OGA 0.003806 0.41339 9.61539
496 2D37 NAD 0.01657 0.4043 9.65909
497 2PR5 FMN 0.00001809 0.42347 9.84848
498 2BZ1 TAU 0.001068 0.48319 10
499 3TFC PEP 0.0003539 0.44198 10
500 1B8U OAA 0.009169 0.42057 10
501 1B8U NAD 0.004202 0.42057 10
502 3VKX T3 0.004967 0.41662 10
503 3BGD SAH 0.017 0.41089 10
504 3BGD PM6 0.02856 0.40936 10
505 1UKW FAD 0.02247 0.40858 10
506 2D4N DUP 0.01361 0.40309 10.5263
507 4J7Q B7N 0.04473 0.40558 10.5556
508 4HVK PMP 0.00399 0.40378 10.5556
509 3QV9 QV7 0.005255 0.40165 10.5556
510 3A1I UNU 0.001364 0.40063 10.5556
511 1FIQ SAL 0.0007346 0.46882 11.1111
512 1FIQ MTE 0.0006316 0.46882 11.1111
513 1IYE PGU 0.002481 0.44427 11.1111
514 1I2B USQ 0.01478 0.43023 11.1111
515 1I2B NAD 0.01478 0.43023 11.1111
516 1I2B UPG 0.01478 0.43023 11.1111
517 1FIQ FAD 0.006616 0.42919 11.1111
518 1WRA PC 0.002976 0.42466 11.1111
519 3UR0 SVR 0.01864 0.41861 11.1111
520 1NF8 BOG 0.005244 0.41389 11.1111
521 2P69 PLP 0.003345 0.4096 11.1111
522 3DCM SAM 0.0219 0.40523 11.1111
523 4DXJ IPE 0.004028 0.40361 11.1111
524 4DXJ 0M9 0.004708 0.40359 11.1111
525 1FWE HAE 0.00198 0.40363 11.3208
526 1H8G CHT 0.004424 0.45081 11.5789
527 3P0K FAD 0.0002905 0.47123 11.6667
528 2GJ3 FAD 0.001791 0.44978 11.6667
529 4IHQ ADP 0.000144 0.44477 11.6667
530 1CL2 PPG 0.002041 0.4318 11.6667
531 4RJK PYR 0.004758 0.42279 11.6667
532 3DAG FEG 0.009438 0.41212 11.6667
533 2VAR KDF 0.0007011 0.4051 11.6667
534 2VAR KDG 0.0008387 0.40215 11.6667
535 1SS4 GSH 0.002314 0.47235 11.7647
536 1SS4 CIT 0.02847 0.42578 11.7647
537 1H8P PC 0.01636 0.40495 11.9266
538 4LSJ LSJ 0.00004192 0.50438 12.2222
539 1VJT NAD 0.0001176 0.48339 12.2222
540 1T26 GBD 0.007992 0.46129 12.2222
541 1T26 NAI 0.007992 0.46129 12.2222
542 2YVF NAD 0.01093 0.44051 12.2222
543 2YVF FAD 0.01112 0.43949 12.2222
544 2HW1 ANP 0.001595 0.4382 12.2222
545 2J0W ADP 0.005051 0.4115 12.2222
546 2J0W ASP 0.0006776 0.41001 12.2222
547 1SSQ CYS 0.03293 0.40835 12.2222
548 1R0X ATP 0.02054 0.40619 12.2222
549 1CKN GTP 0.004483 0.40178 12.2222
550 1BTN I3P 0.0001327 0.53532 12.2642
551 4F2Q QUS 0.0006151 0.44422 12.7778
552 2AMV BIN 0.008529 0.43841 12.7778
553 3ACC 5GP 0.001059 0.4265 12.7778
554 1YAG ATP 0.003684 0.42645 12.7778
555 3K56 IS3 0.00186 0.42477 12.7778
556 3BRE C2E 0.002072 0.4245 12.7778
557 3TXO 07U 0.003706 0.41264 12.7778
558 4N4J HG1 0.03207 0.40388 12.7778
559 3L9R L9Q 0.009501 0.44099 13.2653
560 3L9R L9R 0.04304 0.40546 13.2653
561 1IM8 SAI 0.00215 0.43277 13.3333
562 1EQ2 NAP 0.01422 0.42801 13.3333
563 2X6T NAP 0.02193 0.41796 13.3333
564 3DDN HPV 0.001127 0.41452 13.3333
565 2F2U M77 0.001475 0.40119 13.3333
566 3CBG SAH 0.0006905 0.44702 13.7931
567 3LZW FAD 0.002773 0.45054 13.8889
568 3LZW NAP 0.008427 0.44385 13.8889
569 1T57 FMN 0.001502 0.44118 13.8889
570 1GSA GSH 0.009812 0.42874 13.8889
571 1GSA ADP 0.01301 0.42829 13.8889
572 1R89 CTP 0.007393 0.40264 13.8889
573 3UER TUR 0.006578 0.40023 13.8889
574 3UER BTU 0.006578 0.40023 13.8889
575 1RYI GOA 0.001132 0.48348 14.4444
576 1LCP PLU 0.0003463 0.47362 14.4444
577 3TKA CTN 0.0069 0.44632 14.4444
578 3F81 STT 0.004564 0.43144 14.4444
579 1FDJ 2FP 0.00379 0.40987 14.4444
580 2C9O ADP 0.0263 0.40111 14.4444
581 3TKA SAM 0.00002107 0.40026 14.4444
582 2E1A MSE 0.0006514 0.42209 14.6667
583 2XDQ MGX 0.004995 0.42957 15
584 3CXO 1N5 0.006816 0.42502 15
585 3CXO 3LR 0.01032 0.41457 15
586 3PNL ADP 0.00008338 0.49406 15.5556
587 1DLJ NAI 0.000639 0.49063 15.5556
588 1DLJ UGA 0.005418 0.44757 15.5556
589 1RY2 AMP 0.003055 0.43314 15.5556
590 2XBP ATP 0.00962 0.43313 15.9292
591 2HMT NAI 0.01875 0.42092 15.9722
592 4M2K PLP 0.002149 0.41438 16.1111
593 2H6B 3C4 0.01131 0.40874 16.1111
594 4EXO PYR 0.00004698 0.51411 16.4384
595 2PWY SAH 0.001105 0.44861 16.6667
596 4BMO FMN 0.002229 0.43901 16.6667
597 8CAT NDP 0.005137 0.41691 16.6667
598 2DTJ THR 0.0001855 0.4336 16.8539
599 1ZFJ IMP 0.007094 0.43701 17.2222
600 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.01207 0.431 17.2222
601 1MVN PCO 0.005177 0.45275 17.7778
602 1MVN FMN 0.005209 0.43822 17.7778
603 1ECC PCP 0.002785 0.4316 17.7778
604 3S9K CIT 0.002091 0.47013 17.7966
605 3BS8 PMP 0.002013 0.4209 18.3333
606 1Y13 BIO 0.004848 0.40308 18.8889
607 1TUF AZ1 0.0002061 0.48143 19.4444
608 1H16 PYR 0.0003316 0.47548 20.5556
609 1H16 DTL 0.006213 0.42505 20.5556
610 3W2W ATP 0.002598 0.41646 23.8889
611 4L2H AR6 AR6 0.03302 0.41067 23.8889
612 2P1M IHP 0.00744 0.41656 25.5556
613 3GDN HBX 0.04787 0.41722 26.1111
614 3GDN FAD 0.0374 0.41722 26.1111
615 4HA6 FAD 0.005584 0.44177 27.2222
616 4HA6 PXM 0.002795 0.40056 27.2222
617 1M5B BN1 0.01789 0.42768 28.8889
Pocket No.: 3; Query (leader) PDB : 3I6B; Ligand: KDO; 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: 3i6b.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3I6B; Ligand: KDO; Similar sites found: 17
This union binding pocket(no: 4) in the query (biounit: 3i6b.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1J0X NAD 0.04755 0.41219 2.22222
2 4J7U NAP 0.01472 0.43972 3.33333
3 4J7U YTZ 0.01472 0.43972 3.33333
4 1F06 2NP 0.01076 0.4392 3.33333
5 4M0R 644 0.006107 0.4608 3.88889
6 3PE2 E1B 0.01552 0.43933 3.88889
7 1M4I PAP 0.02777 0.41893 3.88889
8 1M4I COA 0.02777 0.41893 3.88889
9 4YV5 SVR 0.04732 0.4423 4.09836
10 5HGZ ACO 0.02363 0.40971 4.44444
11 2QE4 JJ3 0.02355 0.434 6.66667
12 4ZA2 NAD 0.01546 0.42483 6.66667
13 3FUR Z12 0.02226 0.43147 7.22222
14 5KDS A2G THR ALA PRO GLY GLY NAG SIA 0.0193 0.40255 7.22222
15 5IDM ANP 0.02419 0.40299 10.0559
16 5FJJ MAN 0.01138 0.42655 10.5556
17 5BVE 4VG 0.0191 0.44406 23.3333
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