Receptor
PDB id Resolution Class Description Source Keywords
4HGO 2.1 Å EC: 2.-.-.- 2-KETO-3-DEOXY-D-GLYCERO-D-GALACTONONONATE-9-PHOSPHATE PHOSPHOHYDROLASE FROM BACTEROIDES THETAIOTAOMICRON IN COMPLT RANSITION STATE MIMIC BACTEROIDES THETAIOTAOMICRON ROSSMANN FOLD PHOSPHOHYDROYLASE TRANSFERASE HYDROLASE
Ref.: STRUCTURAL BASIS FOR THE DIVERGENCE OF SUBSTRATE SP AND BIOLOGICAL FUNCTION WITHIN HAD PHOSPHATASES IN LIPOPOLYSACCHARIDE AND SIALIC ACID BIOSYNTHESIS. BIOCHEMISTRY V. 52 5372 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG C:200;
A:200;
B:200;
D:201;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
KDN D:203;
A:202;
Valid;
Valid;
none;
none;
submit data
268.218 C9 H16 O9 C1[C@...
VN4 B:201;
C:201;
A:201;
D:202;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
98.94 O3 V [O-][...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3E81 1.63 Å EC: 2.-.-.- STRUCTURE-FUNCTION ANALYSIS OF 2-KETO-3-DEOXY-D-GLYCERO-D-GA NONONATE-9-PHOSPHATE (KDN) PHOSPHATASE DEFINES A NEW CLAD WT YPE C0 HAD SUBFAMILY BACTEROIDES THETAIOTAOMICRON 2-KETO-3-DEOXYNONONIC ACID 9-PHOSPHATE PHOSPHOHYDROLASE NUCLEOTIDYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURE-FUNCTION ANALYSIS OF 2-KETO-3-DEOXY-D-GLYCERO-D-GALACTONONONATE-9-PHOSPH PHOSPHATASE DEFINES SPECIFICITY ELEMENTS IN TYPE C0 HALOALKANOATE DEHALOGENASE FAMILY MEMBERS. J.BIOL.CHEM. V. 284 1224 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 3E81 - SLB C11 H19 N O9 CC(=O)N[C@....
2 4HGO - KDN C9 H16 O9 C1[C@@H]([....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 211 families.
1 3E81 - SLB C11 H19 N O9 CC(=O)N[C@....
2 4HGO - KDN C9 H16 O9 C1[C@@H]([....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 3E81 - SLB C11 H19 N O9 CC(=O)N[C@....
2 4HGO - KDN C9 H16 O9 C1[C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: KDN; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 KDN 1 1
2 KDM 1 1
3 KDO 0.64 0.96875
4 SLB 0.568965 0.72093
5 SIA 0.568965 0.72093
6 NGC 0.55 0.704545
7 18D 0.532258 0.688889
8 42D 0.532258 0.659574
9 FKD 0.473684 0.861111
10 K99 0.45614 0.861111
11 79J 0.42029 0.673913
12 KDF 0.411765 0.805556
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3E81; Ligand: SLB; Similar sites found: 505
This union binding pocket(no: 1) in the query (biounit: 3e81.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3S9K CIT 0.0002124 0.54239 None
2 1UO5 PIH 0.003809 0.45114 None
3 2ALG DAO 0.001234 0.44919 None
4 2ALG HP6 0.001234 0.44919 None
5 2GJ3 FAD 0.005748 0.43299 None
6 5FIT AP2 0.001637 0.43066 None
7 3ZZS TRP 0.01171 0.42416 None
8 1UO4 PIH 0.009982 0.42028 None
9 2HJ3 FAD 0.006288 0.41853 None
10 4GLJ RHB 0.0191 0.41108 None
11 1QJC PNS 0.04553 0.41011 None
12 4B8V NDG NAG NAG NAG 0.01894 0.40507 None
13 2PFC PLM 0.008099 0.40174 None
14 1POC GEL 0.01247 0.40019 None
15 3UIE ADX 0.001155 0.43951 1.21951
16 2YGN PCF 0.006079 0.42991 1.28205
17 2F01 BTN 0.03477 0.42243 1.5748
18 2F01 BTQ 0.03477 0.42243 1.5748
19 1T26 GBD 0.001847 0.49889 1.82927
20 1T26 NAI 0.001847 0.49889 1.82927
21 1O9U ADZ 0.0007963 0.46416 1.82927
22 1AUX AGS 0.00145 0.44 1.82927
23 3IOI 1GW 0.005168 0.43698 1.82927
24 1G6O ADP 0.02791 0.42155 1.82927
25 4C0C WVH 0.02987 0.41346 1.82927
26 1J5P NAD 0.0154 0.41044 1.82927
27 1B55 4IP 0.006058 0.40931 1.82927
28 4I71 AGV 0.01364 0.4004 1.82927
29 1F8F NAD 0.003947 0.46275 2.43902
30 4OJ8 AKG 0.0006927 0.45802 2.43902
31 4OJ8 2TQ 0.000874 0.45761 2.43902
32 1LC8 33P 0.003004 0.44075 2.43902
33 2VBQ BSJ 0.005032 0.43991 2.43902
34 2W8Q SIN 0.002151 0.43682 2.43902
35 1YS4 NAP 0.004287 0.42751 2.43902
36 3BL6 FMC 0.003823 0.42412 2.43902
37 1JUV NDP 0.007769 0.42237 2.43902
38 3HZS M0E 0.02379 0.41563 2.43902
39 2QJN KDG 0.005107 0.41243 2.43902
40 4CO3 ATP 0.04713 0.40274 2.67857
41 3CQD ATP 0.00138 0.46927 3.04878
42 3WE0 FAD 0.002354 0.46482 3.04878
43 2QA1 FAD 0.001576 0.46422 3.04878
44 1R6D DAU 0.007213 0.44858 3.04878
45 1HDR NAD 0.01081 0.4378 3.04878
46 3RHZ UDP 0.002396 0.43281 3.04878
47 2YBQ UP2 0.008165 0.43248 3.04878
48 3C1O NAP 0.004546 0.42969 3.04878
49 2IMP NAI 0.03508 0.42803 3.04878
50 1A8R GTP 0.003618 0.42709 3.04878
51 1XHL NDP 0.008701 0.42667 3.04878
52 1IM8 SAI 0.0047 0.42401 3.04878
53 1R6D NAD 0.02434 0.42376 3.04878
54 3T1A 5MA 0.004569 0.4208 3.04878
55 1SQ5 PAU 0.0009773 0.41749 3.04878
56 1I7L ATP 0.008327 0.41653 3.04878
57 4B9E FAH 0.003915 0.41637 3.04878
58 2YBQ SAH 0.008097 0.41199 3.04878
59 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.006462 0.41031 3.04878
60 2AMV BIN 0.04479 0.40874 3.04878
61 1HEX NAD 0.01785 0.40754 3.04878
62 1QY1 PRZ 0.01167 0.40685 3.04878
63 2PY4 DUP 0.03955 0.40384 3.04878
64 3BW2 FMN 0.02601 0.40262 3.04878
65 2R14 TXD 0.02829 0.40212 3.04878
66 4NAT ADP 0.02897 0.43323 3.125
67 4NAT 2W5 0.008289 0.43323 3.125
68 3PNA CMP 0.005044 0.40519 3.24675
69 1Y75 NAG 0.0008144 0.41273 3.38983
70 1VQ2 DDN 0.0001165 0.48654 3.65854
71 4HA6 FAD 0.001575 0.47304 3.65854
72 2CKM AA7 0.006462 0.44228 3.65854
73 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.007697 0.43775 3.65854
74 4BAS GNP 0.002591 0.43523 3.65854
75 3LZW FAD 0.007946 0.43512 3.65854
76 2NX1 PEP 0.004552 0.43416 3.65854
77 1I2B NAD 0.01538 0.43415 3.65854
78 1I2B USQ 0.01538 0.43415 3.65854
79 1I2B UPG 0.01538 0.43415 3.65854
80 2NX1 RP5 0.004914 0.43267 3.65854
81 4OE4 NAD 0.007614 0.42746 3.65854
82 1KOL NAD 0.01077 0.42692 3.65854
83 4HA6 PXM 0.001149 0.42508 3.65854
84 4W97 UCA 0.006132 0.42396 3.65854
85 1IUP ALQ 0.01 0.42147 3.65854
86 3WBF API 0.01315 0.41964 3.65854
87 3WBF NAP 0.01072 0.41883 3.65854
88 3MB5 SAM 0.03034 0.41697 3.65854
89 1NXJ TLA 0.004815 0.41679 3.65854
90 9LDB NAD 0.01394 0.41615 3.65854
91 3JDW ORN 0.004728 0.41605 3.65854
92 3TKA CTN 0.01293 0.41557 3.65854
93 1GEX PLP HSA 0.01045 0.41521 3.65854
94 3LZW NAP 0.04162 0.41495 3.65854
95 3ZLM ANP 0.007999 0.41037 3.65854
96 4PO2 ASN ARG LEU LEU LEU THR GLY 0.01162 0.40858 3.65854
97 4G1V FAD 0.01728 0.40819 3.65854
98 1FUR MLT 0.009153 0.40785 3.65854
99 3RKR NAP 0.005946 0.40734 3.65854
100 3BK2 U5P 0.006276 0.40636 3.65854
101 3RO7 TDR 0.01913 0.40619 3.65854
102 1FDJ 13P 0.004445 0.40154 3.65854
103 3P0F BAU 0.01119 0.40021 3.65854
104 3TCT 3MI 0.01675 0.43092 3.93701
105 3T2W BTN 0.003124 0.41643 4.09836
106 4EXO PYR 0.002192 0.43495 4.10959
107 4INB 1F6 0.002955 0.43088 4.10959
108 1RKD RIB 0.0009315 0.47078 4.26829
109 1RKD ADP 0.0009315 0.47078 4.26829
110 3F81 STT 0.0006061 0.46974 4.26829
111 1B8U OAA 0.001805 0.45774 4.26829
112 4M5P 23W 0.0007858 0.45505 4.26829
113 1Y1A GSH 0.004187 0.44716 4.26829
114 3GEG NAD 0.002559 0.44535 4.26829
115 1LDM NAD 0.01235 0.44412 4.26829
116 2B4Q NAP 0.003159 0.44406 4.26829
117 4QVH COA 0.002709 0.4435 4.26829
118 3ICC NAP 0.00381 0.443 4.26829
119 3QP6 HL6 0.001251 0.43805 4.26829
120 2X61 NGA GAL SIA 0.01375 0.43792 4.26829
121 4IOK ADP 0.00445 0.43316 4.26829
122 1WUR 8DG 0.003459 0.43157 4.26829
123 3K3K A8S 0.002945 0.43095 4.26829
124 4M5P MLA 0.006325 0.43011 4.26829
125 4IOK XPO 0.004434 0.42855 4.26829
126 3FPZ AHZ 0.03585 0.42755 4.26829
127 2DDH HXD 0.004006 0.42703 4.26829
128 3HU3 AGS 0.02587 0.42703 4.26829
129 3AHC TPP 0.008298 0.42513 4.26829
130 1CR1 TTP 0.03589 0.42342 4.26829
131 4LHM AZZ 0.001388 0.42179 4.26829
132 1GSA GSH 0.01773 0.42166 4.26829
133 2HV8 GTP 0.007591 0.41986 4.26829
134 2F5T MAL 0.00504 0.41897 4.26829
135 1XE7 GUN 0.008063 0.4167 4.26829
136 2X61 CH 0.01662 0.41498 4.26829
137 3RFV 15L 0.01199 0.41396 4.26829
138 2BO4 FLC 0.004803 0.41252 4.26829
139 1TB4 PEJ 0.01695 0.41109 4.26829
140 3RFV NAI 0.0163 0.40933 4.26829
141 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.04448 0.40853 4.26829
142 3ZRR PXG 0.009905 0.40821 4.26829
143 1MG1 MAL 0.01342 0.40584 4.26829
144 4IF4 BEF 0.01287 0.40559 4.26829
145 1GSA ADP 0.01382 0.40528 4.26829
146 2OWZ F6P 0.0124 0.4003 4.26829
147 1B8U NAD 0.01649 0.4003 4.26829
148 2C1Q BTN 0.004934 0.44577 4.7619
149 1Y52 BTN 0.03902 0.40542 4.7619
150 4BCS BTN 0.004854 0.41557 4.8
151 1RYD NDP 0.0002228 0.50586 4.87805
152 4W6Z 8ID 0.0004641 0.48988 4.87805
153 1RYI GOA 0.001872 0.47709 4.87805
154 4AF0 IMP 0.001997 0.47194 4.87805
155 4N02 FNR 0.003289 0.46499 4.87805
156 3Q9T FAY 0.002238 0.46067 4.87805
157 2VHJ ADP 0.0007381 0.45683 4.87805
158 4MZ7 DGT 0.001952 0.45349 4.87805
159 1V35 NAI 0.004162 0.45123 4.87805
160 3IL6 B83 0.001035 0.45051 4.87805
161 1P9B GDP 0.0008456 0.44996 4.87805
162 3CKJ CIT 0.001929 0.44931 4.87805
163 3WO0 ADP 0.004245 0.44559 4.87805
164 3WO0 ALA 0.004245 0.44559 4.87805
165 3IU9 T07 0.01126 0.44282 4.87805
166 1P9B IMO 0.003532 0.43453 4.87805
167 1WVG CXY 0.003298 0.43248 4.87805
168 4MZ7 DTP 0.005731 0.43239 4.87805
169 1UMP SQA 0.004913 0.42975 4.87805
170 2YVF FAD 0.02564 0.4266 4.87805
171 2YVF NAD 0.02639 0.4266 4.87805
172 4JWX 1N4 0.0006251 0.42386 4.87805
173 2XUM OGA 0.0009816 0.41892 4.87805
174 1IYE PGU 0.01236 0.41853 4.87805
175 1OTH PAO 0.01479 0.41616 4.87805
176 1TOI HCI 0.01564 0.41142 4.87805
177 5D63 FUC GAL GLA 0.003553 0.41142 4.87805
178 1L1Q 9DA 0.008742 0.41055 4.87805
179 3K5X P8D 0.005218 0.40723 4.87805
180 1RYD GLC 0.002201 0.40523 4.87805
181 4C1K PEP 0.004322 0.40509 4.87805
182 2NS1 ADP 0.03002 0.40368 4.87805
183 1QRD FAD 0.01709 0.40278 4.87805
184 3MPI FAD 0.03608 0.4015 4.87805
185 2OFE NAG 0.0006287 0.44284 4.92958
186 1L5Y BEF 0.002507 0.44495 5.16129
187 2UZ2 BTN 0.00333 0.42249 5.38462
188 3UEC ALA ARG TPO LYS 0.008341 0.40212 5.47945
189 3OZG SSI 0.00003245 0.50739 5.4878
190 2YC5 6BC 0.0001809 0.50738 5.4878
191 2XK9 XK9 0.001199 0.46843 5.4878
192 2BJK NAD 0.003028 0.46712 5.4878
193 4P3H 25G 0.002857 0.46181 5.4878
194 2BLE 5GP 0.005109 0.46026 5.4878
195 1CBF SAH 0.0004251 0.46024 5.4878
196 3FXU TSU 0.001102 0.45681 5.4878
197 3ACC 5GP 0.0003564 0.45223 5.4878
198 1YAG ATP 0.00134 0.45133 5.4878
199 2WQP WQP 0.002319 0.44575 5.4878
200 3MAG 3MA 0.003241 0.44449 5.4878
201 1BGQ RDC 0.002509 0.44423 5.4878
202 1PR9 NAP 0.004353 0.4416 5.4878
203 1FIQ FAD 0.005365 0.43864 5.4878
204 3OND ADN 0.01134 0.436 5.4878
205 3OND NAD 0.01134 0.436 5.4878
206 1FIQ SAL 0.006536 0.43234 5.4878
207 1FIQ MTE 0.005748 0.43234 5.4878
208 2P1O IHP 0.006285 0.43059 5.4878
209 2P1O NLA 0.006285 0.43059 5.4878
210 2DVZ GLU 0.001646 0.42791 5.4878
211 4K5S FAD 0.009193 0.42676 5.4878
212 2Q2V NAD 0.009806 0.42548 5.4878
213 1H2M OGA 0.0007002 0.42439 5.4878
214 4NVP 7CH 0.0118 0.42402 5.4878
215 4KCF AKM 0.006358 0.42168 5.4878
216 3CXO 3LR 0.009634 0.42091 5.4878
217 4BMO FMN 0.007814 0.42081 5.4878
218 4USQ FAD 0.01342 0.42035 5.4878
219 3WCS MAN NAG GAL 0.002561 0.41999 5.4878
220 1VJT NAD 0.005354 0.41975 5.4878
221 1T57 FMN 0.00698 0.41826 5.4878
222 3D3W NAP 0.01327 0.41712 5.4878
223 3SVL FMN 0.00502 0.41705 5.4878
224 3TXO 07U 0.004293 0.41559 5.4878
225 3KJI ADP 0.005181 0.41437 5.4878
226 3H86 AP5 0.03087 0.41396 5.4878
227 1SOW NAD 0.01657 0.4139 5.4878
228 4Q3R XA2 0.01226 0.41212 5.4878
229 1PL6 572 0.0229 0.40857 5.4878
230 4K5S PM0 0.04425 0.40827 5.4878
231 1LVL FAD 0.03805 0.40761 5.4878
232 4KCF FMN 0.007605 0.40732 5.4878
233 1XVV CCQ 0.0369 0.40483 5.4878
234 3P3N AKG 0.005178 0.40474 5.4878
235 1VR0 3SL 0.005452 0.40381 5.4878
236 3H22 B53 0.006526 0.40321 5.4878
237 3CKZ ZMR 0.04515 0.40239 5.4878
238 2QDT I38 0.01035 0.40164 5.4878
239 1H2K OGA 0.002825 0.40086 5.4878
240 2P1M IHP 0.02288 0.40004 5.4878
241 1T0S BML 0.004556 0.4206 5.81395
242 2OYS FMN 0.000215 0.48206 6.09756
243 4LSJ LSJ 0.0003164 0.4748 6.09756
244 2BZ1 TAU 0.002303 0.46252 6.09756
245 4C0X AQN 0.002976 0.44657 6.09756
246 2V5E SCR 0.003056 0.44576 6.09756
247 2ZJ3 G6P 0.001645 0.44184 6.09756
248 3ZY6 GFB 0.001901 0.44106 6.09756
249 4R33 SAH 0.005645 0.43644 6.09756
250 4R33 TRP 0.005645 0.43644 6.09756
251 2Q97 ATP 0.002904 0.43488 6.09756
252 2Q1A 2KT 0.001042 0.43372 6.09756
253 2CE7 ADP 0.001896 0.43048 6.09756
254 2OI2 DP6 0.002 0.42704 6.09756
255 2AEB ABH 0.009376 0.42695 6.09756
256 1Y7P RIP 0.003591 0.42526 6.09756
257 1L2T ATP 0.006255 0.42199 6.09756
258 1Z5U CMP 0.002877 0.42173 6.09756
259 1LTH NAD 0.02683 0.421 6.09756
260 4C0X FMN 0.009255 0.41898 6.09756
261 3LM9 FRU 0.008525 0.41764 6.09756
262 1ZUW DGL 0.002964 0.41464 6.09756
263 3HF3 FMN 0.008821 0.41382 6.09756
264 1NZY BCA 0.01296 0.4138 6.09756
265 4COQ SAN 0.003553 0.41155 6.09756
266 4R3L COA 0.006564 0.41107 6.09756
267 1DSS NAD 0.01406 0.40946 6.09756
268 1ZK7 FAD 0.04641 0.40504 6.09756
269 1E2S CSN 0.007712 0.40491 6.09756
270 2V9M CIT 0.006252 0.40398 6.09756
271 1G7V PAI 0.04162 0.40235 6.09756
272 1YHM AHD 0.004348 0.40193 6.09756
273 3S2Y FMN 0.01072 0.40099 6.09756
274 3EF0 ALF 0.01719 0.40094 6.09756
275 2NZU BG6 0.005482 0.4009 6.09756
276 2PWY SAH 0.01099 0.41124 6.20155
277 3MBG FAD 0.008828 0.41846 6.47482
278 1P9P SAH 0.0008712 0.45767 6.51341
279 1BTN I3P 0.002469 0.46354 6.60377
280 4IVG ANP 0.003259 0.46354 6.70732
281 3UH0 TSB 0.001062 0.45576 6.70732
282 1V5F FAD 0.03075 0.44971 6.70732
283 1V5F TPP 0.03075 0.44971 6.70732
284 1Q3Q ANP 0.01034 0.44394 6.70732
285 2HGS ADP 0.00306 0.43389 6.70732
286 1O7N IND 0.004031 0.42867 6.70732
287 2WR8 SAH 0.01014 0.42706 6.70732
288 1JCM 137 0.007181 0.42666 6.70732
289 1QF5 RPL 0.01857 0.42574 6.70732
290 1QF5 GDP 0.01857 0.42574 6.70732
291 8CAT NDP 0.004497 0.42485 6.70732
292 3NKS FAD 0.01339 0.42356 6.70732
293 3NKS ACJ 0.003245 0.42297 6.70732
294 1Z42 FMN 0.002999 0.41972 6.70732
295 1H9G COA MYR 0.009153 0.41919 6.70732
296 2YK7 CSF 0.005782 0.41831 6.70732
297 1UKW FAD 0.01906 0.41642 6.70732
298 4WX0 HXD 0.004934 0.41527 6.70732
299 3PJU C2E 0.01214 0.41372 6.70732
300 1SSQ CYS 0.03435 0.41173 6.70732
301 2AE2 PTO 0.02857 0.41098 6.70732
302 2AE2 NAP 0.02857 0.41098 6.70732
303 2H8Z 8CM 0.01736 0.40938 6.70732
304 2H8Z FMN 0.01736 0.40938 6.70732
305 2VJJ RAM GLC GAL NAG NAG GLC 0.04754 0.40711 6.70732
306 2HGS GSH 0.00839 0.40337 6.70732
307 4N4J HG1 0.04067 0.40327 6.70732
308 4PPU TYR 0.002502 0.40115 6.70732
309 1C3V NDP 0.02984 0.40105 6.70732
310 1NML CIT 0.005467 0.40095 6.70732
311 4IU0 ABH 0.01767 0.4006 6.70732
312 1ML4 PAL 0.01572 0.40037 6.70732
313 4ME6 ADP 0.001203 0.42428 6.99482
314 3U5S FAD 0.01245 0.40563 7.14286
315 4PLG NAI 0.000663 0.48397 7.31707
316 4PLG OXM 0.000663 0.48397 7.31707
317 1EP2 ORO 0.0006943 0.47928 7.31707
318 2Q1S NAI 0.003455 0.45697 7.31707
319 1EP2 FMN 0.001414 0.45686 7.31707
320 1EDO NAP 0.01148 0.44811 7.31707
321 1OIK C26 0.001511 0.43699 7.31707
322 4NTD FAD 0.00726 0.43694 7.31707
323 3ZS7 ATP 0.003176 0.43319 7.31707
324 1YOE RIB 0.001228 0.43028 7.31707
325 1EP2 FAD 0.004378 0.42879 7.31707
326 2DTJ THR 0.001608 0.42832 7.31707
327 1OLS TDP 0.01706 0.42506 7.31707
328 4NE2 SH2 0.01747 0.41614 7.31707
329 1YBH FAD 0.02146 0.41593 7.31707
330 4NE2 ADP 0.01711 0.41439 7.31707
331 2QS8 MET 0.01644 0.40782 7.31707
332 1KBJ FMN 0.01552 0.40756 7.31707
333 3EM1 TYD 0.004099 0.43087 7.53425
334 3NCQ ATP 0.001512 0.44537 7.56302
335 3TA2 ATP 0.03112 0.40295 7.62712
336 3PVT 3HC 0.0004363 0.49237 7.92683
337 2ZWS PLM 0.00154 0.47161 7.92683
338 1TIW FAD 0.001706 0.46615 7.92683
339 1TIW TFB 0.001706 0.46615 7.92683
340 4O8A FAD 0.002192 0.45259 7.92683
341 2PTZ PAH 0.0006814 0.45159 7.92683
342 2DKH FAD 0.004801 0.43965 7.92683
343 2R42 FPS 0.002296 0.4356 7.92683
344 3FC2 IBI 0.006055 0.43132 7.92683
345 3NYQ MCA 0.007814 0.4288 7.92683
346 3NYQ AMP 0.008296 0.4288 7.92683
347 2OHV NHL 0.001419 0.42772 7.92683
348 3GWT 066 0.01114 0.42058 7.92683
349 2XVE FAD 0.03855 0.41844 7.92683
350 1WDA BAG 0.0005348 0.41796 7.92683
351 2EFJ SAH 0.005642 0.41489 7.92683
352 4KS1 2H8 0.03468 0.40954 7.92683
353 3IB8 AMP 0.006083 0.40924 7.92683
354 2DKH 3HB 0.03296 0.40715 7.92683
355 2XCG XCG 0.02222 0.40574 7.92683
356 4LIT AKG 0.004605 0.40092 7.92683
357 4LFL TG6 0.007404 0.40094 8.02469
358 1NU4 MLA 0.001536 0.47166 8.24742
359 4F8L GAL 0.02468 0.40871 8.27586
360 2HGZ PBF 0.00009268 0.50413 8.53659
361 2C31 ADP 0.004119 0.47141 8.53659
362 1VDC FAD 0.002949 0.46389 8.53659
363 4FR3 0V4 0.01435 0.44387 8.53659
364 4FR3 LYS ARG ARG LYS SEP VAL 0.01452 0.44362 8.53659
365 2D37 FMN 0.002927 0.44125 8.53659
366 2D37 NAD 0.00316 0.44125 8.53659
367 4AQL TXC 0.002125 0.43295 8.53659
368 2PNZ UDP 0.004298 0.43232 8.53659
369 1P72 THM 0.001205 0.42755 8.53659
370 2A0W DIH 0.01213 0.42181 8.53659
371 4A6D SAM 0.005082 0.42072 8.53659
372 1R27 MGD 0.01701 0.41772 8.53659
373 1E7S NAP 0.01456 0.41646 8.53659
374 1P72 ADP 0.0172 0.41199 8.53659
375 2OD9 A1R NCA 0.02073 0.40711 8.53659
376 3F8C HT1 0.004793 0.40023 8.73016
377 1H2B NAJ 0.0007802 0.47564 9.14634
378 2DTX BMA 0.02401 0.41364 9.14634
379 2NLI LAC 0.03668 0.41296 9.14634
380 2NLI FMN 0.03668 0.41296 9.14634
381 2HXT EHM 0.005049 0.41264 9.14634
382 1T0I FMN 0.007257 0.41218 9.14634
383 4NES UD1 0.007263 0.41217 9.14634
384 4NES UDP 0.008598 0.40709 9.14634
385 1R0X ATP 0.02875 0.40401 9.14634
386 3UER TUR 0.007348 0.4035 9.14634
387 3UER BTU 0.007348 0.4035 9.14634
388 1SS4 GSH 0.02334 0.41316 9.15033
389 1TRD PGH 0.007199 0.40387 9.2
390 2XBP ATP 0.04035 0.40836 9.73451
391 2RBK VN4 0.000118 0.51343 9.7561
392 4LXH C1E 0.0002935 0.4695 9.7561
393 3V1U NAD 0.00226 0.44469 9.7561
394 2C4I BTN 0.003833 0.41991 9.7561
395 3LTW HLZ 0.002464 0.41817 9.7561
396 2GSD NAD 0.02335 0.4103 9.7561
397 4IS0 GDS 0.00759 0.4094 9.7561
398 3V1U HXC 0.004634 0.40936 9.7561
399 3A2Q ACA ACA 0.008944 0.40636 9.7561
400 3TO7 COA 0.0374 0.40364 9.7561
401 3U7Y FLC 0.04604 0.40086 9.7561
402 2EWM NAD 0.002052 0.45388 10.3659
403 1OAA OAA 0.00417 0.45312 10.3659
404 1ECC PCP 0.001629 0.44762 10.3659
405 4RJK PYR 0.003083 0.42826 10.3659
406 1U7Z PMT 0.01687 0.41467 10.3659
407 4B4D FAD 0.009932 0.4099 10.3659
408 1ZZ7 S0H 0.001861 0.40565 10.3659
409 1G0N NDP 0.000772 0.4821 10.9756
410 3W54 RNB 0.0001327 0.47887 10.9756
411 2GDZ NAD 0.002199 0.45116 10.9756
412 1NW5 SAM 0.001318 0.44599 10.9756
413 1G0N PHH 0.009295 0.43487 10.9756
414 4DVE BTN 0.001678 0.42756 10.9756
415 4M51 BEZ 0.003761 0.42436 10.9756
416 2J7T 274 0.009166 0.42189 10.9756
417 1RZM E4P 0.003181 0.42028 10.9756
418 1ZFJ IMP 0.02964 0.4128 10.9756
419 1TE2 PGA 0.00858 0.41238 10.9756
420 1V2X SAM 0.001981 0.43836 11.3402
421 2D0V PQQ 0.0003145 0.47278 11.5854
422 2PT9 2MH 0.001659 0.46198 11.5854
423 1D6H COA 0.003851 0.45475 11.5854
424 4OYA 1VE 0.01463 0.45474 11.5854
425 1C0I FAD 0.004619 0.45286 11.5854
426 1C0I BE2 0.004619 0.45286 11.5854
427 3PNL ADP 0.001555 0.4467 11.5854
428 2PT9 S4M 0.002331 0.44409 11.5854
429 3BHO B4P 0.007443 0.42661 11.5854
430 1Y8O ADP 0.007454 0.40082 11.5854
431 2FOI JPA 0.0005916 0.4062 11.6667
432 1Y2W NAG 0.00131 0.42958 11.9718
433 1MQ0 BRD 0.006251 0.40874 12.1429
434 1QPB TPP 0.00008089 0.51053 12.1951
435 1QPB PYM 0.000409 0.47925 12.1951
436 3F3E LEU 0.002983 0.45379 12.1951
437 4LNL PLG 0.001872 0.43071 12.1951
438 1RP0 AHZ 0.02716 0.42949 12.1951
439 1V9N NDP 0.01295 0.4188 12.1951
440 1ULE GLA GAL NAG 0.009221 0.40675 12.6667
441 1EXB NDP 0.03333 0.4261 12.8049
442 2IXB NAD 0.01312 0.41735 12.8049
443 2HVW DDN 0.005501 0.41107 12.8049
444 2IXB A2G 0.02935 0.4086 12.8049
445 1JIL 485 0.01113 0.40602 12.8049
446 1Q0H NDP 0.01083 0.43695 13.4146
447 4C25 13P 0.004608 0.43532 13.4146
448 2XDQ MGX 0.003357 0.43468 13.4146
449 1Q0H FOM 0.0209 0.42169 13.4146
450 2J0W ASP 0.0005602 0.4185 13.4146
451 3O03 NAP 0.01426 0.41059 13.4146
452 2J0W ADP 0.01036 0.40364 13.4146
453 4N7C AEF 0.009187 0.4003 13.4146
454 1TU3 GNP 0.005975 0.42598 13.9241
455 3K37 BCZ 0.01179 0.45199 14.0244
456 2CSN CKI 0.004469 0.43158 14.0244
457 3QV9 QV7 0.0009849 0.42776 14.0244
458 2HW1 ANP 0.007556 0.41506 14.0244
459 3E5P PPI 0.03039 0.40791 14.0244
460 3U4C NDP 0.01996 0.40663 14.0244
461 3B1F NAD 0.000563 0.46593 14.6341
462 4KQI RBZ 0.003363 0.44417 14.6341
463 4KQI NIO 0.003363 0.44417 14.6341
464 1Z45 NAD 0.00328 0.44333 14.6341
465 2TPL HPP 0.002935 0.43966 14.6341
466 2J8Z NAP 0.00601 0.43013 14.6341
467 1Z45 GAL 0.00329 0.40989 14.6341
468 1Z45 UPG 0.008371 0.40952 14.6341
469 1FA2 DOM 0.01912 0.40748 14.6341
470 1M5B BN1 0.01175 0.44124 15.2439
471 4GQB 0XU 0.04073 0.41215 15.2439
472 1LL2 UPG 0.01461 0.40259 15.2439
473 1X54 4AD 0.002179 0.44377 15.8537
474 2H6B 3C4 0.003096 0.43864 15.8537
475 1R37 NAD 0.008286 0.42998 15.8537
476 2BNE U5P 0.02177 0.41013 15.8537
477 1TDF FAD 0.0009171 0.48707 16.4634
478 1TDF NAP 0.002002 0.48695 16.4634
479 1R89 CTP 0.003107 0.42376 16.4634
480 2BNF UTP 0.01976 0.41667 16.4634
481 1UBY DMA 0.005475 0.41545 17.0732
482 3DDC GNP 0.001034 0.45971 17.1779
483 3BAZ NAP 0.007588 0.42138 17.6829
484 1TUF AZ1 0.009173 0.41623 17.6829
485 2TOH HBI 0.009582 0.41539 18.2927
486 2R40 EPH 0.002715 0.44771 19.5122
487 1UXG FUM 0.007597 0.43602 19.5122
488 1UXG NAD 0.007597 0.43602 19.5122
489 3QO8 SSA 0.002072 0.4312 19.5122
490 2R40 20E 0.009423 0.41572 19.5122
491 1DLJ UGA 0.01322 0.43438 20.122
492 1DLJ NAI 0.01625 0.43007 20.122
493 1UJ5 5RP 0.003023 0.41957 20.7317
494 2QGI UDP 0.0004548 0.44119 21.3415
495 4DQ2 BTX 0.008794 0.4227 21.3415
496 4AMV F6R 0.004709 0.41613 21.3415
497 4WNB 4BN 0.01238 0.40033 21.9512
498 4GYW UDP 0.001813 0.45765 24.3902
499 4KGM ATP 0.006004 0.40716 24.3902
500 4IAE 1DX 0.008993 0.44202 26.8293
501 3VPD ANP 0.0009804 0.45352 28.0488
502 1L7N ALF 0.0001678 0.44672 31.0976
503 1L7N AF3 0.00005946 0.44672 31.0976
504 1L7P SEP 0.0009284 0.43521 31.0976
505 4HGP KDO 0.00006048 0.5325 48.7805
Pocket No.: 2; Query (leader) PDB : 3E81; Ligand: SLB; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3e81.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3E81; Ligand: SLB; 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: 3e81.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3E81; Ligand: SLB; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3e81.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3E81; Ligand: SLB; Similar sites found: 3
This union binding pocket(no: 5) in the query (biounit: 3e81.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4TWP AXI 0.04857 0.42325 6.09756
2 4ZEV M6P 0.0008008 0.47184 11.5854
3 3CV9 VDX 0.02326 0.41686 20.122
Pocket No.: 6; Query (leader) PDB : 3E81; Ligand: SLB; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3e81.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3E81; Ligand: SLB; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3e81.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3E81; Ligand: SLB; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3e81.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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