Receptor
PDB id Resolution Class Description Source Keywords
3R36 1.95 Å EC: 3.1.2.23 CRYSTAL STRUCTURE OF ARTHROBACTER SP. STRAIN SU 4-HYDROXYBEN THIOESTERASE MUTANT E73Q COMPLEXED WITH 4-HYDROXYBENZOIC AC ARTHROBACTER SP. THIOESTERASE HOTDOG-FOLD HYDROLASE 4-HYDROXYBENZOYL-COA
Ref.: THE CATALYTIC MECHANISM OF THE HOTDOG-FOLD ENZYME SUPERFAMILY 4-HYDROXYBENZOYL-COA THIOESTERASE FROM ARTHROBACTER SP. STRAIN SU. BIOCHEMISTRY V. 51 7000 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PHB A:152;
B:152;
Valid;
Valid;
none;
none;
submit data
138.121 C7 H6 O3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3R35 1.8 Å EC: 3.1.2.23 CRYSTAL STRUCTURE OF ARTHROBACTER SP. STRAIN SU 4-HYDROXYBEN THIOESTERASE MUTANT E73D COMPLEXED WITH 4-HYDROXYPHENACYL C ARTHROBACTER SP. THIOESTERASE HOTDOG-FOLD HYDROLASE 4-HYDROXYBENZOYL-COA
Ref.: THE CATALYTIC MECHANISM OF THE HOTDOG-FOLD ENZYME SUPERFAMILY 4-HYDROXYBENZOYL-COA THIOESTERASE FROM ARTHROBACTER SP. STRAIN SU. BIOCHEMISTRY V. 51 7000 2012
Members (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3R34 Ki = 32 uM COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 3R3A - PHB C7 H6 O3 c1cc(ccc1C....
3 1Q4U Ki = 0.6 uM 4CA C28 H42 N7 O17 P3 S CC(C)(CO[P....
4 3TEA Kd = 9 nM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
5 3R3D Kd = 13 nM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
6 3R36 - PHB C7 H6 O3 c1cc(ccc1C....
7 3R37 Kd = 27 nM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
8 3R3C Kd = 220 nM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
9 3R35 Kd = 2.2 nM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
10 3R32 Kd = 6 nM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
11 3R3F Kd = 37 nM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
12 1Q4T Ki = 0.003 uM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
13 1Q4S - PHB C7 H6 O3 c1cc(ccc1C....
14 3R3B Kd = 37 nM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
70% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3R34 Ki = 32 uM COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 3R3A - PHB C7 H6 O3 c1cc(ccc1C....
3 1Q4U Ki = 0.6 uM 4CA C28 H42 N7 O17 P3 S CC(C)(CO[P....
4 3TEA Kd = 9 nM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
5 3R3D Kd = 13 nM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
6 3R36 - PHB C7 H6 O3 c1cc(ccc1C....
7 3R37 Kd = 27 nM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
8 3R3C Kd = 220 nM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
9 3R35 Kd = 2.2 nM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
10 3R32 Kd = 6 nM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
11 3R3F Kd = 37 nM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
12 1Q4T Ki = 0.003 uM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
13 1Q4S - PHB C7 H6 O3 c1cc(ccc1C....
14 3R3B Kd = 37 nM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3R34 Ki = 32 uM COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 3R3A - PHB C7 H6 O3 c1cc(ccc1C....
3 1Q4U Ki = 0.6 uM 4CA C28 H42 N7 O17 P3 S CC(C)(CO[P....
4 3TEA Kd = 9 nM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
5 3R3D Kd = 13 nM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
6 3R36 - PHB C7 H6 O3 c1cc(ccc1C....
7 3R37 Kd = 27 nM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
8 3R3C Kd = 220 nM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
9 3R35 Kd = 2.2 nM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
10 3R32 Kd = 6 nM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
11 3R3F Kd = 37 nM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
12 1Q4T Ki = 0.003 uM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
13 1Q4S - PHB C7 H6 O3 c1cc(ccc1C....
14 3R3B Kd = 37 nM 4CO C29 H42 N7 O18 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PHB; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 PHB 1 1
2 AC6 0.592593 0.764706
3 DBE 0.555556 0.833333
4 MBO 0.482759 0.611111
5 ANN 0.451613 0.789474
6 HGB 0.451613 0.619048
7 HC4 0.441176 0.941176
8 BEZ 0.428571 0.625
9 HQE 0.409091 0.8125
10 4HP 0.40625 0.842105
11 EN1 0.4 0.761905
12 34D 0.4 0.842105
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3R35; Ligand: 4CO; Similar sites found: 477
This union binding pocket(no: 1) in the query (biounit: 3r35.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1HFA PIO 0.0002417 0.53786 None
2 1BTN I3P 0.000526 0.53783 None
3 1PTR PRB 0.0001734 0.5194 None
4 2XI7 XI7 0.001578 0.51054 None
5 1UO5 PIH 0.001662 0.50925 None
6 4FGC PQ0 0.000167 0.50314 None
7 1NU4 MLA 0.001499 0.50064 None
8 1ZJ6 G3D 0.0001507 0.47755 None
9 4AIG FLX 0.0002967 0.47167 None
10 4F8L GAL 0.01013 0.46427 None
11 4EXO PYR 0.00344 0.46383 None
12 1UO4 PIH 0.008817 0.45855 None
13 3CH5 GDP 0.0005284 0.45574 None
14 3BHO B4P 0.01082 0.45367 None
15 3S9K CIT 0.01975 0.45345 None
16 3RK0 AMP 0.0006415 0.45237 None
17 1WGC SIA GAL BGC 0.0118 0.4516 None
18 3FKQ ATP 0.0002722 0.45135 None
19 4DN8 BMA 0.003281 0.45082 None
20 2E1A MSE 0.001321 0.45041 None
21 3O2K DST 0.00206 0.44781 None
22 3O2K QRP 0.001602 0.4415 None
23 3GM5 CIT 0.00596 0.43867 None
24 2WCI GSH 0.004564 0.43816 None
25 1LNX URI 0.003489 0.43778 None
26 2HJ3 FAD 0.0002705 0.43775 None
27 3PNA CMP 0.002806 0.43652 None
28 1NVV GNP 0.0001044 0.43489 None
29 3T2W BTN 0.002362 0.43455 None
30 1V7R CIT 0.02509 0.43356 None
31 1LYX PGA 0.001803 0.42972 None
32 1Y7P RIP 0.01632 0.4297 None
33 3P7I P7I 0.005666 0.42854 None
34 1F5F DHT 0.001143 0.42838 None
35 1EJE FMN 0.0008881 0.42812 None
36 3ZF8 GDP 0.003513 0.42744 None
37 1KYQ NAD 0.001033 0.42575 None
38 4F4S EFO 0.006705 0.42533 None
39 5RHN 8BR 0.001844 0.42491 None
40 1UAY ADN 0.002498 0.4242 None
41 1OGD RIP 0.007677 0.42275 None
42 1NXJ TLA 0.001986 0.42157 None
43 2FR6 URI 0.001352 0.42156 None
44 1VE3 SAM 0.001566 0.41926 None
45 2DTJ THR 0.005803 0.41844 None
46 4JHG ZEA 0.003547 0.41414 None
47 3SJ0 DXC 0.02865 0.41168 None
48 2R5T ANP 0.00157 0.41166 None
49 2YDW WSH 0.01176 0.40576 None
50 1C1L GAL BGC 0.04125 0.40387 None
51 2FR6 CTN 0.004261 0.40363 None
52 3D3H M4O 0.007165 0.40255 None
53 1UFY MLI 0.03825 0.4006 None
54 3B9Z CO2 0.007872 0.43301 1.3245
55 1KTC NGA 0.004635 0.43237 1.3245
56 1XE7 GUN 0.02195 0.42959 1.3245
57 1IM8 SAI 0.001689 0.41057 1.3245
58 1O68 KIV 0.01551 0.4093 1.3245
59 1ZS6 ADP 0.01635 0.40392 1.3245
60 5FUI APY 0.04824 0.42169 1.51515
61 4Q3F TLA 0.01142 0.41057 1.7094
62 3RF4 FUN 0.005944 0.42763 1.72414
63 2QLX RM4 0.04066 0.40418 1.85185
64 2V5E SCR 0.003075 0.48359 1.9802
65 3NNF AKG 0.0004601 0.49073 1.98676
66 1AUA BOG 0.0004163 0.47821 1.98676
67 1JN2 SFP 0.01168 0.4775 1.98676
68 3IHB TRS 0.002402 0.47159 1.98676
69 3WCS MAN NAG 0.0007739 0.46642 1.98676
70 3WCS MAN NAG GAL 0.001053 0.44901 1.98676
71 3IHB GLU 0.005058 0.4484 1.98676
72 3U1T MLI 0.005397 0.44703 1.98676
73 2P69 PLP 0.002985 0.44652 1.98676
74 1A5V Y3 0.003343 0.44428 1.98676
75 1P9B HDA 0.005766 0.43356 1.98676
76 1FW1 GSH 0.001485 0.433 1.98676
77 1H0C AOA 0.01497 0.42548 1.98676
78 4IXW IXW 0.005183 0.42519 1.98676
79 4LWM MHO 0.047 0.42498 1.98676
80 2JFV FLC 0.0124 0.42373 1.98676
81 3B1J NAD 0.00009278 0.42169 1.98676
82 1W3R PYR 0.02711 0.4185 1.98676
83 1UOU CMU 0.004852 0.41296 1.98676
84 3DDC GNP 0.001205 0.40188 1.98676
85 1POC GEL 0.00522 0.40402 2.23881
86 1JAC AMG 0.0001394 0.55697 2.25564
87 2CYE COA 0.0006347 0.4842 2.25564
88 3NCQ ATP 0.0008165 0.42136 2.52101
89 1SS4 CIT 0.0002072 0.59348 2.64901
90 1SS4 GSH 0.0023 0.50882 2.64901
91 2BO4 FLC 0.0004644 0.49868 2.64901
92 4JCA CIT 0.001785 0.4965 2.64901
93 1EB9 HBA 0.0001762 0.47483 2.64901
94 4COQ SAN 0.001261 0.47025 2.64901
95 3R51 MMA 0.005797 0.46002 2.64901
96 2Q3M MLA 0.006666 0.45684 2.64901
97 4E28 0MZ 0.003938 0.44106 2.64901
98 3NFZ 3NF 0.002358 0.42974 2.64901
99 3BK2 U5P 0.002577 0.42819 2.64901
100 5D63 FUC GLA GLA 0.01079 0.42657 2.64901
101 3CEV ARG 0.005698 0.42344 2.64901
102 2Q37 3AL 0.009781 0.42315 2.64901
103 4E28 9MZ 0.01299 0.42278 2.64901
104 3PMA SCR 0.008305 0.42125 2.64901
105 2YFT DQR 0.002736 0.41842 2.64901
106 3E6J DR2 0.04282 0.41733 2.64901
107 2A2X NA9 0.002019 0.4153 2.64901
108 2GWD GLU 0.01165 0.4102 2.64901
109 2BGM NAJ 0.001564 0.40876 2.64901
110 1DBT U5P 0.003122 0.40849 2.64901
111 3ZGE ASP 0.04676 0.40637 2.64901
112 1Y13 BIO 0.01243 0.40476 2.64901
113 5D63 FUC GAL GLA 0.01577 0.40458 2.64901
114 2BOI MFU 0.005716 0.42837 2.65487
115 1SJW NGV 0.002958 0.41713 2.77778
116 3QDY A2G GAL 0.004455 0.45817 2.7972
117 3QDT A2G GAL 0.01037 0.43967 2.7972
118 3QDY CBS 0.0218 0.4175 2.7972
119 3QDW A2G 0.03864 0.41655 2.7972
120 3QDW NDG 0.02485 0.41471 2.7972
121 2JGS BTN 0.004777 0.43448 3.07692
122 1Z42 HBA 0.004061 0.48771 3.31126
123 1RYD GLC 0.002235 0.45862 3.31126
124 1RZM E4P 0.00349 0.45622 3.31126
125 2RCN GDP 0.001205 0.4466 3.31126
126 2QV7 ADP 0.0006815 0.44128 3.31126
127 1G8S MET 0.00556 0.44009 3.31126
128 2Q8H TF4 0.01541 0.4377 3.31126
129 1F3L SAH 0.0002161 0.43684 3.31126
130 3I8P 840 0.0008979 0.43675 3.31126
131 4KGM ATP 0.00172 0.43523 3.31126
132 4L7I SAM 0.0007658 0.43479 3.31126
133 2ZJF BSU 0.002474 0.43372 3.31126
134 2OAT PFM 0.0015 0.42402 3.31126
135 1RZM PEP 0.008785 0.42017 3.31126
136 1I2L DCS 0.001249 0.41884 3.31126
137 2XVE FAD 0.0009829 0.41812 3.31126
138 1Z44 FMN 0.003612 0.41796 3.31126
139 1VDC FAD 0.0004776 0.41751 3.31126
140 1AUX AGS 0.002305 0.41713 3.31126
141 2QF7 COA 0.005677 0.4103 3.31126
142 2Y6P CTP 0.009295 0.40998 3.31126
143 4B9E FAH 0.03145 0.40968 3.31126
144 3MD0 GDP 0.01283 0.40842 3.31126
145 4K30 NLG 0.01764 0.40684 3.31126
146 3P0F BAU 0.006144 0.40509 3.31126
147 2Q28 ADP 0.00326 0.40423 3.31126
148 1Z42 FMN 0.01103 0.40286 3.31126
149 2HVK TBA 0.03461 0.40267 3.31126
150 4OYA 1VE 0.00987 0.40251 3.31126
151 3ANK NG6 GCD 0.01553 0.40075 3.31126
152 1U5R ATP 0.00808 0.40056 3.31126
153 3NOJ PYR 0.007761 0.42508 3.36134
154 1SC3 MLI 0.002477 0.47101 3.40909
155 3UEC ALA ARG TPO LYS 0.003653 0.45526 3.42466
156 1TUV VK3 0.00448 0.46589 3.50877
157 1MQ0 BRD 0.0002794 0.46123 3.57143
158 3WUD GLC GAL 0.001397 0.48352 3.67647
159 1UW1 ADP 0.003707 0.44226 3.75
160 1QH9 LAC 0.0002049 0.50716 3.97351
161 2IZ1 ATR 0.0006063 0.48513 3.97351
162 2ZWS PLM 0.004918 0.48227 3.97351
163 3JQ3 ADP 0.0003154 0.47058 3.97351
164 1WTC ACP 0.002975 0.45958 3.97351
165 2Y7P SAL 0.001227 0.45766 3.97351
166 1CKN GTP 0.001018 0.45522 3.97351
167 1A59 CIT 0.004123 0.45271 3.97351
168 2PP3 LGT 0.0009566 0.44043 3.97351
169 2VPR TDC 0.0007485 0.43974 3.97351
170 2FGQ MLT 0.005744 0.43943 3.97351
171 2W8Q SIN 0.008056 0.43858 3.97351
172 1CBF SAH 0.0008187 0.43827 3.97351
173 1CKM GTP 0.002605 0.43789 3.97351
174 2EB5 OXL 0.007174 0.4349 3.97351
175 1GJW GLC 0.00992 0.43418 3.97351
176 3LST SAH 0.001551 0.43226 3.97351
177 3DGB MUC 0.003635 0.42221 3.97351
178 1GJW MAL 0.004752 0.42202 3.97351
179 1A5Z OXM 0.02773 0.41799 3.97351
180 2Y7G AAE 0.00335 0.41508 3.97351
181 2NCD ADP 0.01481 0.41496 3.97351
182 3GJB AKG 0.01111 0.41109 3.97351
183 3A2Y TS5 0.004619 0.40598 3.97351
184 3PXP MYR 0.006433 0.40067 3.97351
185 1Y75 NAG 0.0002638 0.48011 4.23729
186 1XX4 BAM 0.001694 0.48801 4.63576
187 4W6Z ETF 0.004045 0.46822 4.63576
188 1KC7 PPR 0.002005 0.46789 4.63576
189 1H16 PYR 0.003348 0.46442 4.63576
190 2Q09 DI6 0.001263 0.45124 4.63576
191 4JRB PGT 0.0008593 0.44729 4.63576
192 1UF5 CDT 0.001781 0.4396 4.63576
193 4NAO AKG 0.008239 0.43811 4.63576
194 4U9W SER GLY ARG GLY LYS NH2 0.005506 0.43732 4.63576
195 1Y9Q MED 0.009302 0.4296 4.63576
196 1Q6O LG6 0.001559 0.42767 4.63576
197 1NHZ 486 0.0005161 0.42423 4.63576
198 2JBH 5GP 0.005962 0.4226 4.63576
199 1QDS PGA 0.004954 0.42127 4.63576
200 2QCX PF1 0.01078 0.42123 4.63576
201 1H16 DTL 0.03411 0.41943 4.63576
202 2DVZ GLU 0.005779 0.41851 4.63576
203 1Z6K OAA 0.005099 0.4185 4.63576
204 5D6C 57S 0.04122 0.41823 4.63576
205 3NKS ACJ 0.003956 0.41234 4.63576
206 1JIL 485 0.002089 0.41101 4.63576
207 3DX5 DHB 0.00897 0.41062 4.63576
208 1KYZ SAH 0.002757 0.41043 4.63576
209 4N69 SER 0.02972 0.40581 4.63576
210 3V1V GST 0.004853 0.40519 4.63576
211 3QP6 HL6 0.007795 0.40493 4.63576
212 3I51 45C 0.01102 0.40288 4.63576
213 2YVF NAD 0.003105 0.40242 4.63576
214 1GEE NAD 0.0003999 0.40067 4.63576
215 2B7N NTM 0.03051 0.40061 4.63576
216 1GU3 BGC BGC BGC BGC BGC 0.009029 0.41965 4.69799
217 2IYG FMN 0.005492 0.41502 4.83871
218 1YRX FMN 0.004566 0.41399 4.95868
219 3KMT SAH 0.004355 0.4148 5.04202
220 4P9Z NMI PTR 02K ASN NH2 0.00984 0.41801 5.12821
221 1H2M OGA 0.0003357 0.49713 5.29801
222 3P3N AKG 0.0004002 0.49356 5.29801
223 1H2K OGA 0.0004339 0.49192 5.29801
224 4B7E OGA 0.0003614 0.48799 5.29801
225 2X2T GAL NGA 0.002068 0.48348 5.29801
226 1DXY COI 0.002071 0.48344 5.29801
227 3CBG 4FE 0.003647 0.47954 5.29801
228 2Y0I AKG 0.0005959 0.47816 5.29801
229 3CBG FER 0.005059 0.46313 5.29801
230 1E5F PLP 0.0003882 0.45054 5.29801
231 2VAR KDG 0.0009485 0.44557 5.29801
232 4M51 BEZ 0.01047 0.43946 5.29801
233 2HNK SAH 0.0004201 0.43541 5.29801
234 1SQ5 PAU 0.005072 0.43065 5.29801
235 1LVL NAD 0.0004482 0.43026 5.29801
236 1T10 F6P 0.006853 0.43016 5.29801
237 1S8F GDP 0.001882 0.42899 5.29801
238 3UST FAD 0.001564 0.42762 5.29801
239 1SQ5 ADP 0.002832 0.42655 5.29801
240 4IMG NGF 0.0007708 0.42618 5.29801
241 1X8X TYR 0.004221 0.42415 5.29801
242 3LTW HLZ 0.01231 0.42388 5.29801
243 3CBG SAH 0.0016 0.42299 5.29801
244 1E1O LYS 0.0002531 0.42294 5.29801
245 3AYS CT3 0.004796 0.42186 5.29801
246 3DG6 MUC 0.002887 0.42176 5.29801
247 1WDA BAG 0.006693 0.42046 5.29801
248 2VAR KDF 0.004697 0.41774 5.29801
249 1B74 DGN 0.02852 0.41738 5.29801
250 1WVG APR 0.00003499 0.41698 5.29801
251 1XX6 ADP 0.006634 0.41604 5.29801
252 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.003542 0.41416 5.29801
253 1E2S CSN 0.00596 0.40948 5.29801
254 2VAR AMP 0.01094 0.40706 5.29801
255 3UER TUR 0.01063 0.4035 5.29801
256 3UER BTU 0.01063 0.4035 5.29801
257 2VAR ANP 0.00284 0.40285 5.29801
258 1H8P PC 0.001927 0.48509 5.50459
259 1O9U ADZ 0.00008444 0.55616 5.96026
260 4O8A 2OP 0.002462 0.47952 5.96026
261 3TFC PEP 0.00123 0.45762 5.96026
262 2Q1A 2KT 0.003004 0.45262 5.96026
263 2VDJ HSE 0.006767 0.44902 5.96026
264 1NF8 BOG 0.004971 0.44877 5.96026
265 1WRA PC 0.006704 0.44246 5.96026
266 1NML CIT 0.003573 0.43733 5.96026
267 1TDF FAD 0.0001071 0.436 5.96026
268 2Z9V PXM 0.003855 0.43588 5.96026
269 4CIB 7UZ 0.005928 0.43302 5.96026
270 1HSJ GLC 0.04004 0.42976 5.96026
271 3DER ALA LYS 0.0005449 0.42736 5.96026
272 1XIU REA 0.001419 0.4249 5.96026
273 4KCT PYR 0.006101 0.42217 5.96026
274 4WVH ASP HIS ASP ALA HIS ALA 0.006417 0.42124 5.96026
275 3KYF 5GP 5GP 0.004983 0.42117 5.96026
276 3M6W SAM 0.002709 0.41858 5.96026
277 1QY1 PRZ 0.001079 0.41723 5.96026
278 3OAI MAL 0.02946 0.4138 5.96026
279 1C7S CBS 0.006087 0.41323 5.96026
280 4KCT FDP 0.006425 0.41229 5.96026
281 4NM5 ADP 0.001764 0.40643 5.96026
282 1R89 CTP 0.005754 0.40617 5.96026
283 1NF8 ISC 0.009316 0.40581 5.96026
284 2H6T IVA VAL VAL STA ALA STA 0.004723 0.40563 5.96026
285 3EE4 MYR 0.002401 0.40534 5.96026
286 3CQ5 PMP 0.01653 0.40371 5.96026
287 5XHA FRU FRU 0.0136 0.40314 5.96026
288 3LPF Z77 0.001066 0.40039 5.96026
289 2R40 20E 0.0002898 0.42479 6.01504
290 4NPT 017 0.01196 0.40545 6.06061
291 3KJQ B94 0.003275 0.42402 6.31579
292 3BY8 MLT 0.008384 0.43774 6.33803
293 1C3V PDC 0.0003453 0.48888 6.62252
294 3U7Y FLC 0.009839 0.47043 6.62252
295 2YD6 FLC 0.007385 0.46863 6.62252
296 2F2U M77 0.0007433 0.45524 6.62252
297 1QO0 BMD 0.003472 0.44967 6.62252
298 1YBH P22 0.001029 0.44942 6.62252
299 3L6R MLI 0.007916 0.43895 6.62252
300 2DWU DGL 0.002829 0.43637 6.62252
301 1ZED PNP 0.009267 0.43562 6.62252
302 1YFZ IMP 0.005683 0.43385 6.62252
303 1PEA ACM 0.01417 0.43281 6.62252
304 4UAL 3FV 0.001135 0.42848 6.62252
305 2PUL ACP 0.001933 0.42413 6.62252
306 1MZV AMP 0.00528 0.42013 6.62252
307 1K6M AGS 0.0007793 0.41826 6.62252
308 2YIV NBN 0.02169 0.4176 6.62252
309 4LHM AZZ 0.01439 0.41553 6.62252
310 3GTD MLI 0.01619 0.41319 6.62252
311 2OHV NHL 0.01087 0.4115 6.62252
312 4JEJ 1GP 0.006731 0.41148 6.62252
313 4Q0A 4OA 0.003068 0.40876 6.62252
314 4USS GSH 0.02477 0.40032 6.62252
315 2P8O BVA 0.001947 0.41984 6.87023
316 9LDT OXM 0.0009376 0.51178 7.28477
317 4AF5 CIT 0.0008851 0.47744 7.28477
318 3BRE C2E 0.001153 0.47208 7.28477
319 3MAG 3MA 0.005924 0.46802 7.28477
320 3ZPG 5GP 0.005415 0.46157 7.28477
321 3MCT 3MC 0.001151 0.45887 7.28477
322 4N7C AEF 0.003451 0.45646 7.28477
323 9LDB OXM 0.01184 0.45154 7.28477
324 1Z45 GAL 0.002525 0.44393 7.28477
325 2C2A ADP 0.0004759 0.4424 7.28477
326 2HFK E4H 0.004873 0.43141 7.28477
327 3PC3 P1T 0.000424 0.43109 7.28477
328 1QB7 ADE 0.003101 0.42967 7.28477
329 4RJK PYR 0.01751 0.42814 7.28477
330 4IHQ ADP 0.005163 0.42526 7.28477
331 2P41 G1G 0.009508 0.41397 7.28477
332 3MCT SAH 0.001891 0.40889 7.28477
333 3K3G MMU 0.01788 0.40886 7.28477
334 4OHB 5HM 0.005243 0.4077 7.28477
335 1T0I FMN 0.003898 0.40502 7.28477
336 2O2C G6Q 0.006173 0.40501 7.28477
337 1UCN ADP 0.008463 0.40353 7.28477
338 3MAG SAH 0.003496 0.40316 7.28477
339 1ULE GLA GAL NAG 0.003399 0.46409 7.33333
340 1DUC DUD 0.00113 0.41843 7.46269
341 2OFE NAG 0.01477 0.42017 7.74648
342 2OFD NGA 0.02068 0.41326 7.74648
343 2WCV FUC 0.01248 0.40893 7.85714
344 4M5P MLA 0.0003031 0.53856 7.94702
345 1Y1A GSH 0.002059 0.51219 7.94702
346 3F81 STT 0.0008607 0.50341 7.94702
347 1I0Z OXM 0.002497 0.47919 7.94702
348 4WBD CIT 0.00364 0.46259 7.94702
349 4M5P 23W 0.006403 0.45023 7.94702
350 2OWZ F6P 0.0004064 0.44493 7.94702
351 1YHM AHD 0.003695 0.44232 7.94702
352 1Y42 TYR 0.002854 0.4416 7.94702
353 4WBD ADP 0.007017 0.4415 7.94702
354 1P72 THM 0.00291 0.44123 7.94702
355 3W54 RNB 0.0009961 0.43975 7.94702
356 2ZE3 AKG 0.004232 0.43965 7.94702
357 1WHT BZS 0.005763 0.43936 7.94702
358 1B5E DCM 0.004087 0.42958 7.94702
359 2Q8M AMP 0.003755 0.42164 7.94702
360 2RHQ GAX 0.0008358 0.41725 7.94702
361 4GO7 THR 0.006305 0.41695 7.94702
362 2OWZ CIT 0.01751 0.41668 7.94702
363 3PLN U5P 0.01057 0.41664 7.94702
364 1AX2 NDG GAL 0.01184 0.41448 7.94702
365 2JC9 ADN 0.01185 0.41446 7.94702
366 2CE7 ADP 0.004508 0.41421 7.94702
367 1W7J ADP BEF 0.003073 0.41252 7.94702
368 2FYU FDN 0.002805 0.41016 7.94702
369 1JA9 NDP 0.002708 0.40833 7.94702
370 2Q8M FBP 0.006103 0.4052 7.94702
371 1JGS SAL 0.004545 0.48423 7.97101
372 4C2G ALA ALA ALA ALA 0.0008574 0.45838 8.60927
373 3L24 GOA 0.01399 0.43991 8.60927
374 1NP0 NGT 0.01497 0.41988 8.60927
375 2TPL HPP 0.0006553 0.4101 8.60927
376 4C6F DOR 0.009561 0.40948 8.60927
377 4C6F NCD 0.009561 0.40948 8.60927
378 3QP4 HL0 0.004714 0.40945 8.60927
379 3OIG NAD 0.00279 0.40244 8.60927
380 2O66 FLC 0.006229 0.43204 8.88889
381 2W3L DRO 0.03485 0.41893 9.02778
382 4A6F SEP 0.002031 0.49344 9.16667
383 2C5S AMP 0.0005971 0.46505 9.27152
384 2BZ1 TAU 0.01145 0.4612 9.27152
385 4HZO COA 0.002318 0.44556 9.27152
386 1M1B SPV 0.003159 0.4454 9.27152
387 1WNG SAH 0.0002763 0.44179 9.27152
388 4ME6 ADP 0.004286 0.4394 9.27152
389 3D2Y AH0 ALA FGA LYS 0.001037 0.4257 9.27152
390 2ZJ5 ADP 0.01106 0.42072 9.27152
391 3K5X P8D 0.006954 0.41519 9.27152
392 2PVQ GSH 0.003357 0.41111 9.27152
393 2P4Q FLC 0.02795 0.40708 9.27152
394 5EQU AKG 0.04791 0.40583 9.27152
395 1RYI GOA 0.0066 0.47769 9.93377
396 2EJU SAH 0.0005449 0.43574 9.93377
397 3A2Q ACA ACA 0.003228 0.41173 9.93377
398 4LO6 SIA GAL 0.0378 0.40837 9.93377
399 2XRH NIO 0.001794 0.47024 10
400 1T0S BML 0.005461 0.45372 10.4651
401 1I1Q TRP 0.0002919 0.47824 10.596
402 2WGC SIA GAL BGC 0.006318 0.47604 10.596
403 4G4S LDZ 0.001541 0.42358 10.596
404 1N9L FMN 0.0001899 0.45219 11.0092
405 1Q3P GLU ALA GLN THR ARG LEU 0.003681 0.43151 11.0092
406 4B16 NAG 0.0004459 0.5294 11.2583
407 2VQ5 LDP 0.0005986 0.51166 11.2583
408 1I7L ATP 0.00006583 0.44956 11.2583
409 1T3D CYS 0.00776 0.43937 11.2583
410 2VQ5 HBA 0.01649 0.42343 11.2583
411 2HEK GDP 0.006922 0.41528 11.2583
412 3SHR CMP 0.01017 0.40837 11.2583
413 1Q3Q ANP 0.001608 0.40679 11.2583
414 3O7B SAH 0.003716 0.40577 11.2583
415 4G28 0W8 0.001881 0.44389 11.7647
416 2XDQ MGX 0.00323 0.47334 11.9205
417 1ZZ7 S0H 0.00102 0.46117 11.9205
418 3QV9 QV7 0.002034 0.45405 11.9205
419 1GPJ CIT 0.005112 0.4418 11.9205
420 3PMD 11A 0.003598 0.42701 11.9205
421 2YB9 HA0 0.0001692 0.41429 11.9205
422 4ASJ N6A 0.001433 0.40601 11.9205
423 3SCH TB6 0.0375 0.40101 11.9205
424 1QD0 RR6 0.005406 0.4153 12.5
425 1PX8 XYP 0.001158 0.46513 12.5828
426 3BJK CIT 0.002341 0.43225 12.5828
427 1JH7 UVC 0.00654 0.43108 12.5828
428 1E4E PHY 0.002669 0.41882 12.5828
429 1E4E ADP 0.002633 0.41115 12.5828
430 3EW2 BTN 0.007345 0.41874 12.5926
431 2YLD CMO 0.008787 0.43076 12.5984
432 1Y2W NAG 0.009565 0.42904 12.6761
433 4K7O EKZ 0.005829 0.44541 13.245
434 1YOA FMN 0.02606 0.44061 13.245
435 3HZL 6PC 0.01544 0.43765 13.245
436 3I0O SMI 0.005507 0.43447 13.245
437 3A1I UNU 0.003523 0.42739 13.245
438 4JWX 1N4 0.00745 0.42332 13.245
439 3I0O ADP 0.007465 0.41392 13.245
440 1EYQ NAR 0.009696 0.41361 13.245
441 1V6A TRE 0.008461 0.42601 13.9073
442 2R42 FPS 0.0009993 0.42223 13.9073
443 3RGG AIR 0.005944 0.41801 13.9073
444 4LIT AKG 0.0007169 0.47454 14.5695
445 3CF6 SP1 0.003863 0.41273 15.2318
446 1YGC 905 0.0004674 0.43379 15.873
447 4CCN OGA 0.001188 0.47147 15.894
448 4CCO OGA 0.001003 0.4615 15.894
449 1LTH OXM 0.00661 0.4161 15.894
450 3W2W ATP 0.007583 0.4094 15.894
451 1FWE HAE 0.009253 0.41447 16.0377
452 1F1V DHY 0.005161 0.42527 16.5563
453 1KYV RBF 0.002814 0.41394 16.5563
454 1V7W NAG 0.01165 0.40191 16.5563
455 1V7W NDG 0.01165 0.40191 16.5563
456 3MTW M3R 0.007611 0.40155 17.2185
457 4BG1 OGA 0.003231 0.40093 17.8808
458 4BG1 IVL 0.003231 0.40093 17.8808
459 3TKA CTN 0.0005288 0.55087 18.543
460 1FP2 HMO 0.003608 0.41386 18.543
461 1FP2 SAH 0.00633 0.40846 18.543
462 1H8G CHT 0.03061 0.43655 18.9474
463 2HW1 FRU 0.02252 0.40665 19.2053
464 1Q11 TYE 0.003312 0.43877 19.8675
465 2Z1U ATP 0.004726 0.40941 19.8675
466 2NVK NAP 0.007661 0.42279 24.5033
467 1QS8 IVA VAL VAL STA ALA STA 0.00237 0.41279 24.5033
468 2CJH AKG 0.006843 0.40331 25.8278
469 4OB6 S2T 0.004428 0.41049 27.1523
470 3F5O UOC COA 0.01732 0.40948 28.3784
471 4LFL TG6 0.001474 0.44299 29.1391
472 4D7M TDC 0.0009212 0.40232 29.8013
473 2VHJ ADP 0.004041 0.40095 33.1126
474 1WN3 HXC 0.01412 0.41843 35.2941
475 4K4D HFQ 0.0003748 0.50318 40.8759
476 1NNS ASP 0.008158 0.41233 41.7219
477 4K49 HFQ 0.0003512 0.46284 41.9118
Pocket No.: 2; Query (leader) PDB : 3R35; Ligand: 4CO; 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: 3r35.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback