Receptor
PDB id Resolution Class Description Source Keywords
1EB9 2.1 Å EC: 4.2.1.37 STRUCTURE DETERMINANTS OF SUBSTRATE SPECIFICITY OF HYDROXYNITRILE LYASE FROM MANIHOT ESCULENTA MANIHOT ESCULENTA LYASE HYDROXYNITRILE LYASE SUBSTRATE SPECIFICITY ACTIVE-SITE TUNNEL MUTANT
Ref.: STRUCTURE DETERMINANTS OF SUBSTRATE SPECIFICITY OF HYDROXYNITRILE LYASE FROM MANIHOT ESCULENTA. PROTEIN SCI. V. 11 65 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HBA A:1259;
A:1260;
B:1259;
B:1260;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
122.121 C7 H6 O2 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1EB9 2.1 Å EC: 4.2.1.37 STRUCTURE DETERMINANTS OF SUBSTRATE SPECIFICITY OF HYDROXYNITRILE LYASE FROM MANIHOT ESCULENTA MANIHOT ESCULENTA LYASE HYDROXYNITRILE LYASE SUBSTRATE SPECIFICITY ACTIVE-SITE TUNNEL MUTANT
Ref.: STRUCTURE DETERMINANTS OF SUBSTRATE SPECIFICITY OF HYDROXYNITRILE LYASE FROM MANIHOT ESCULENTA. PROTEIN SCI. V. 11 65 2002
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1EB9 - HBA C7 H6 O2 c1cc(ccc1C....
2 1E8D - CNH C4 H7 N O CC(C)(C#N)....
3 1DWQ - ATO C3 H5 Cl O CC(=O)CCl
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1EB9 - HBA C7 H6 O2 c1cc(ccc1C....
2 1E8D - CNH C4 H7 N O CC(C)(C#N)....
3 1DWQ - ATO C3 H5 Cl O CC(=O)CCl
4 1YAS - HIS C6 H10 N3 O2 c1c([nH+]c....
5 1YB7 - ICN C6 H11 N O CC(C)[C@@]....
6 1SC9 - CNH C4 H7 N O CC(C)(C#N)....
7 1YB6 - MNN C8 H7 N O c1ccc(cc1)....
8 5YAS Ki = 0.55 mM FAC C3 H2 F6 O2 C(C(F)(F)F....
50% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1EB9 - HBA C7 H6 O2 c1cc(ccc1C....
2 1E8D - CNH C4 H7 N O CC(C)(C#N)....
3 1DWQ - ATO C3 H5 Cl O CC(=O)CCl
4 1YAS - HIS C6 H10 N3 O2 c1c([nH+]c....
5 1YB7 - ICN C6 H11 N O CC(C)[C@@]....
6 1SC9 - CNH C4 H7 N O CC(C)(C#N)....
7 1YB6 - MNN C8 H7 N O c1ccc(cc1)....
8 5YAS Ki = 0.55 mM FAC C3 H2 F6 O2 C(C(F)(F)F....
9 1Y7I Kd = 90 nM SAL C7 H6 O3 c1ccc(c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HBA; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 HBA 1 1
2 4VP 0.481481 0.733333
3 HQE 0.428571 0.857143
4 EN1 0.411765 0.619048
5 HC4 0.411765 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1EB9; Ligand: HBA; Similar sites found: 655
This union binding pocket(no: 1) in the query (biounit: 1eb9.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.0004452 0.51225 None
2 1BTN I3P 0.001611 0.48781 None
3 1YOE RIB 0.001701 0.4326 None
4 2C4I BTN 0.0005509 0.4308 None
5 2E1A MSE 0.00116 0.4246 None
6 2ALG DAO 0.001569 0.42235 None
7 2ALG HP6 0.001569 0.42235 None
8 3RF4 FUN 0.002167 0.41962 None
9 3UEC ALA ARG TPO LYS 0.008607 0.41215 None
10 1Y52 BTN 0.01568 0.40705 None
11 4BCS BTN 0.002931 0.40392 None
12 2GTE VA 0.01916 0.40095 None
13 2JL1 NAP 0.003334 0.41164 1.14504
14 3O03 NAP 0.005722 0.40888 1.14504
15 1C1L GAL BGC 0.01119 0.40701 1.45985
16 2HGZ PBF 0.0004104 0.45034 1.52672
17 3PC3 P1T 0.0004188 0.44421 1.52672
18 4C6F DOR 0.0007596 0.41567 1.52672
19 4C6F NCD 0.0007596 0.41567 1.52672
20 1P72 ADP 0.006631 0.41173 1.52672
21 1P72 THM 0.0009047 0.40161 1.52672
22 1OAA OAA 0.001195 0.45574 1.5444
23 1QD0 RR6 0.002268 0.40327 1.5625
24 1TU3 GNP 0.0009849 0.43727 1.75439
25 4M37 SAH 0.0002725 0.44918 1.9084
26 4A6D SAM 0.0002882 0.44826 1.9084
27 1WNG SAH 0.0003735 0.444 1.9084
28 3RO7 TDR 0.001154 0.43777 1.9084
29 3TFC PEP 0.00008065 0.43503 1.9084
30 3IU9 T07 0.00693 0.43413 1.9084
31 2VRQ XYP XYP AHR 0.002757 0.42989 1.9084
32 3ZEI AWH 0.002414 0.42657 1.9084
33 1WXI AMP 0.00537 0.42451 1.9084
34 2Q1A 2KT 0.001754 0.42235 1.9084
35 1TOI HCI 0.004078 0.41753 1.9084
36 3JYN NDP 0.005972 0.41602 1.9084
37 1GRO ICT 0.0132 0.41451 1.9084
38 3A2Q ACA ACA 0.0019 0.41312 1.9084
39 1XVA SAM 0.002784 0.41096 1.9084
40 4B4D FAD 0.003694 0.40816 1.9084
41 1R0X ATP 0.01235 0.40323 1.9084
42 1LTH NAD 0.03305 0.40116 1.9084
43 1J5P NAD 0.004616 0.414 1.97628
44 4DVE BTN 0.000551 0.42114 2.0202
45 3GEG NAD 0.009047 0.40243 2.02429
46 4INB 1F6 0.00008295 0.46874 2.05479
47 3EM1 TYD 0.004733 0.40828 2.05479
48 1UAY ADN 0.001805 0.40936 2.06612
49 1BUC CAA 0.002122 0.42263 2.08877
50 1BUC FAD 0.01496 0.40202 2.08877
51 1I52 CTP 0.0047 0.41643 2.11864
52 3QP4 HL0 0.0001678 0.44991 2.1978
53 1U7Z PMT 0.003752 0.42418 2.21239
54 3WO0 ADP 0.0002223 0.47787 2.29008
55 3WO0 ALA 0.0002223 0.47787 2.29008
56 4R33 SAH 0.0004074 0.46313 2.29008
57 4R33 TRP 0.0004074 0.46313 2.29008
58 4NES UD1 0.0001826 0.45348 2.29008
59 2V7T SAH 0.01021 0.44104 2.29008
60 2YB9 HA0 0.001537 0.43579 2.29008
61 4CS4 AXZ 0.005196 0.42899 2.29008
62 4KQI NIO 0.002805 0.42672 2.29008
63 4KQI RBZ 0.002805 0.42672 2.29008
64 2NXW TPP 0.004609 0.41934 2.29008
65 4C12 ADP 0.01373 0.41767 2.29008
66 4NES UDP 0.001874 0.41334 2.29008
67 4C12 UML 0.007707 0.40785 2.29008
68 4CS4 ANP 0.01321 0.40632 2.29008
69 1I9G SAM 0.02031 0.40574 2.29008
70 1VCO GLN 0.006887 0.40571 2.29008
71 1B8U OAA 0.0113 0.40363 2.29008
72 3UH0 TSB 0.005964 0.40359 2.29008
73 1SG4 CO8 0.002584 0.42246 2.30769
74 1JCM 137 0.002026 0.42959 2.3166
75 2C1Q BTN 0.0001993 0.48362 2.38095
76 2HJ3 FAD 0.0007282 0.43506 2.4
77 4QED NAP 0.009012 0.40513 2.41935
78 4KGM ATP 0.001088 0.41488 2.44898
79 2E2R 2OH 0.00345 0.42687 2.45902
80 3HY3 10F 0.0006356 0.44115 2.46305
81 1DBT U5P 0.0004232 0.40061 2.51046
82 3S9K CIT 0.00614 0.4539 2.54237
83 4FR3 0V4 0.01552 0.42503 2.5641
84 4FR3 LYS ARG ARG LYS SEP VAL 0.0303 0.41202 2.5641
85 2YC5 6BC 0.002512 0.43366 2.63158
86 3R35 4CO 0.0001762 0.47483 2.64901
87 3F3E LEU 0.0006356 0.46045 2.67176
88 1DXY NAD 0.0002972 0.45934 2.67176
89 4EPM AMP 0.0002948 0.45403 2.67176
90 1N1G BCP 0.000904 0.45174 2.67176
91 1VDC FAD 0.001959 0.45052 2.67176
92 4CKU P2F 0.00219 0.44846 2.67176
93 2BGM NAJ 0.004312 0.44235 2.67176
94 2GSD NAD 0.00166 0.44099 2.67176
95 3FC2 IBI 0.001185 0.44029 2.67176
96 4CCO OGA 0.0007381 0.4384 2.67176
97 1SQ5 PAU 0.0007955 0.4371 2.67176
98 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.006967 0.42837 2.67176
99 1R6W 164 0.0006723 0.4276 2.67176
100 3MPI GRA 0.009786 0.42475 2.67176
101 2NLI LAC 0.009586 0.42285 2.67176
102 2NLI FMN 0.009586 0.42285 2.67176
103 4G87 UD1 0.008734 0.42171 2.67176
104 4KXV TDP DX5 0.006181 0.42096 2.67176
105 4DXJ IPE 0.0003321 0.42022 2.67176
106 4WX0 HXD 0.001223 0.41798 2.67176
107 1K97 ASP 0.03238 0.4153 2.67176
108 1K97 CIR 0.03238 0.4153 2.67176
109 2TPL HPP 0.003686 0.41488 2.67176
110 1WM1 PTB 0.005862 0.41247 2.67176
111 1E5F PLP 0.002025 0.40986 2.67176
112 4IVG ANP 0.01994 0.40921 2.67176
113 4LNL 2BK 0.002318 0.40769 2.67176
114 4LNL 2BO 0.002318 0.40769 2.67176
115 3ZY6 GFB 0.004879 0.40354 2.67176
116 2R85 AMP 0.02343 0.4035 2.67176
117 2FFC U5P 0.004401 0.4015 2.67176
118 2BJK NAD 0.03331 0.40136 2.67176
119 4NE2 SH2 0.01658 0.4002 2.67176
120 1XX4 BAM 0.01316 0.41696 2.68199
121 3MB5 SAM 0.007699 0.42692 2.7451
122 3ICC NAP 0.007084 0.41182 2.7451
123 2QLX RM4 0.001908 0.44152 2.77778
124 3PJU C2E 0.0005504 0.44883 2.81124
125 1H9G COA MYR 0.0001063 0.47686 2.88066
126 3IBH GSH 0.003409 0.40763 3.00429
127 1G8S MET 0.009974 0.40338 3.04348
128 1Q0H FOM 0.0001331 0.49785 3.05344
129 1Q0H NDP 0.0001653 0.496 3.05344
130 4N02 FNR 0.0005377 0.47803 3.05344
131 1ME8 RVP 0.005005 0.45096 3.05344
132 3ZV6 4HB 0.002482 0.44146 3.05344
133 3ZV6 NAD 0.002348 0.44146 3.05344
134 2CSN CKI 0.000793 0.44095 3.05344
135 3TKA SAM 0.0006662 0.43653 3.05344
136 4BG1 IVL 0.0006954 0.43582 3.05344
137 4BG1 OGA 0.0006954 0.43582 3.05344
138 2XDQ MGX 0.005493 0.4355 3.05344
139 4CFS HQD 0.002194 0.42973 3.05344
140 4HA6 FAD 0.006678 0.42442 3.05344
141 3OND ADN 0.009479 0.42145 3.05344
142 3OND NAD 0.009479 0.42145 3.05344
143 3AHC TPP 0.00354 0.42134 3.05344
144 3CKJ CIT 0.003165 0.419 3.05344
145 1SNY NAP 0.003379 0.41788 3.05344
146 1IYE PGU 0.004805 0.41735 3.05344
147 3LPF Z77 0.005116 0.4108 3.05344
148 2ZX7 ZX7 0.007273 0.40949 3.05344
149 2GGH NLQ 0.009857 0.40944 3.05344
150 1QF5 RPL 0.02149 0.40629 3.05344
151 1QF5 GDP 0.02149 0.40629 3.05344
152 1FL2 FAD 0.01653 0.40517 3.05344
153 3LST SAH 0.002353 0.40513 3.05344
154 4QDF 30Q 0.008388 0.40304 3.05344
155 3ZPG 5GP 0.02563 0.40273 3.05344
156 1PL6 NAD 0.005957 0.40195 3.05344
157 4QN7 G39 0.01657 0.4002 3.05344
158 1X1T NAD 0.0009602 0.47933 3.07692
159 1R18 SAH 0.0008497 0.43443 3.0837
160 1B9I PXG 0.003677 0.41171 3.09278
161 4F2Q QUS 0.002993 0.40129 3.10078
162 2F01 BTQ 0.0006759 0.48259 3.14961
163 2F01 BTN 0.001003 0.47506 3.14961
164 1QJC PNS 0.01108 0.42206 3.16456
165 2WTN FER 0.006398 0.41734 3.18725
166 1LYX PGA 0.001046 0.41807 3.22581
167 1EDO NAP 0.01123 0.4307 3.27869
168 1ULE GLA GAL NAG 0.01311 0.41015 3.33333
169 3E5H GNP 0.0009752 0.43574 3.37079
170 2VPR TDC 0.0003252 0.43927 3.38164
171 1UXG FUM 0.00008774 0.49704 3.43511
172 1UXG NAD 0.00008774 0.49704 3.43511
173 3SFI 3SF 0.0009779 0.4562 3.43511
174 1M5B BN1 0.003276 0.44752 3.43511
175 1GSA GSH 0.002104 0.44344 3.43511
176 2XVF FAD 0.001914 0.44081 3.43511
177 3S7O LBV 0.001497 0.43764 3.43511
178 3VHZ L2P GLC MAN SGA 0.007643 0.43721 3.43511
179 1V35 NAI 0.003249 0.43559 3.43511
180 4I9A NCN 0.001541 0.4343 3.43511
181 1P9B IMO 0.001254 0.4315 3.43511
182 3PFG TLO 0.004627 0.4282 3.43511
183 3PFG SAM 0.004627 0.4282 3.43511
184 1R27 MGD 0.00567 0.42036 3.43511
185 4LCQ URQ 0.005357 0.41282 3.43511
186 3PXP MYR 0.001958 0.41263 3.43511
187 2PT9 S4M 0.004445 0.4117 3.43511
188 2PT9 2MH 0.008538 0.41087 3.43511
189 3CQ5 PMP 0.0007055 0.41056 3.43511
190 2XVE FAD 0.03192 0.40701 3.43511
191 3UER TUR 0.001953 0.40563 3.43511
192 3UER BTU 0.001953 0.40563 3.43511
193 2NCD ADP 0.006602 0.40544 3.43511
194 4J7H TRH 0.003999 0.405 3.43511
195 2B4Q NAP 0.009296 0.40459 3.43511
196 2QCX PF1 0.006991 0.40441 3.43511
197 2NVK FAD 0.01821 0.40433 3.43511
198 3NFZ 3NF 0.002183 0.40387 3.43511
199 2CE7 ADP 0.002673 0.4031 3.43511
200 1OMZ UD2 0.02212 0.40251 3.43511
201 3CXO 1N5 0.01164 0.40192 3.43511
202 4J7H TLO 0.005599 0.40126 3.43511
203 1P9B GDP 0.004247 0.40006 3.43511
204 1KTC NGA 0.001016 0.40001 3.43511
205 4F8L GAL 0.005925 0.45201 3.44828
206 4L6C 0BT 0.00554 0.40317 3.46535
207 4JK3 NAD 0.00813 0.40562 3.4749
208 2PP3 LGT 0.001071 0.40886 3.51759
209 2H6B 3C4 0.01845 0.41356 3.6
210 3DCM SAM 0.001118 0.42598 3.64583
211 1UWZ THU 0.001032 0.42071 3.67647
212 4IAE 1DX 0.002803 0.44522 3.7037
213 2BKA NDP 0.003255 0.42142 3.71901
214 2BNE U5P 0.01102 0.40579 3.73444
215 2BNF UTP 0.01791 0.40184 3.73444
216 3U7Y FLC 0.02482 0.42156 3.80952
217 1I0Z OXM 0.0002343 0.50224 3.81679
218 1D6H COA 0.000488 0.47202 3.81679
219 4RJK PYR 0.002983 0.46799 3.81679
220 1YBH FAD 0.0007316 0.4603 3.81679
221 2IXB NAD 0.0004345 0.45914 3.81679
222 4O1M NAD 0.0004469 0.45716 3.81679
223 1WVG CXY 0.0002902 0.45233 3.81679
224 1T8U UAP SGN IDS SGN 0.00115 0.45106 3.81679
225 2CKM AA7 0.001576 0.44867 3.81679
226 2PTR 2SA 0.0007675 0.44316 3.81679
227 1JQ5 NAD 0.01686 0.44289 3.81679
228 1JQI FAD 0.002007 0.43882 3.81679
229 1N6B DMZ 0.002149 0.43875 3.81679
230 3UXL CFI 0.01429 0.43436 3.81679
231 3Q3C NAD 0.008091 0.42756 3.81679
232 2YVF NAD 0.01133 0.42683 3.81679
233 2YVF FAD 0.01095 0.42683 3.81679
234 1MOQ GLP 0.001116 0.42393 3.81679
235 2J7T 274 0.003375 0.42079 3.81679
236 1JQI CAA 0.002371 0.42076 3.81679
237 3B20 NAD 0.002634 0.42059 3.81679
238 4M2K PLP 0.0003659 0.41919 3.81679
239 1CKM GTP 0.001605 0.41913 3.81679
240 1CKN GTP 0.0004177 0.41869 3.81679
241 1I2B UPG 0.01721 0.41487 3.81679
242 1I2B NAD 0.01721 0.41487 3.81679
243 1I2B USQ 0.01721 0.41487 3.81679
244 2D2I NAP 0.003557 0.41391 3.81679
245 1T8U A3P 0.002909 0.41024 3.81679
246 2HXT EHM 0.001829 0.40915 3.81679
247 3T1A 5MA 0.0028 0.40889 3.81679
248 2IXB A2G 0.01332 0.40717 3.81679
249 2ZB3 NDP 0.00861 0.40463 3.81679
250 2P8O BVA 0.003646 0.40254 3.81679
251 1LL2 UPG 0.005383 0.40191 3.81679
252 4AMV F6R 0.003352 0.40176 3.81679
253 2QDT I38 0.003556 0.40081 3.81679
254 3I8P 840 0.001113 0.4007 3.81679
255 1VBH PEP 0.0006555 0.40062 3.81679
256 3EE4 MYR 0.005935 0.40029 3.81679
257 2Q37 3AL 0.002066 0.42645 3.8674
258 2PWY SAH 0.001781 0.42387 3.87597
259 1ZK4 NAP 0.001461 0.47496 3.98406
260 1ZK4 AC0 0.001461 0.47496 3.98406
261 2EWM NAD 0.0007865 0.44883 4.01606
262 1XNK XS2 0.002742 0.40499 4.08163
263 2GJ3 FAD 0.001357 0.43865 4.16667
264 3ZOD HQE 0.003474 0.41741 4.18848
265 3ZOD FMN 0.003474 0.41741 4.18848
266 3QDT A2G GAL 0.005126 0.42925 4.1958
267 1G0N PHH 0.000891 0.45897 4.19847
268 1G0N NDP 0.001121 0.45151 4.19847
269 1PEA ACM 0.002735 0.44199 4.19847
270 1E4E PHY 0.0002785 0.44176 4.19847
271 4PLG OXM 0.002271 0.43777 4.19847
272 4PLG NAI 0.002271 0.43777 4.19847
273 1E4E ADP 0.0005289 0.43611 4.19847
274 2YPO PHE 0.001647 0.43459 4.19847
275 4OYA 1VE 0.01882 0.43239 4.19847
276 2XCG XCG 0.002026 0.431 4.19847
277 4AT0 FAD 0.006999 0.42705 4.19847
278 3PVT 3HC 0.005225 0.4229 4.19847
279 2VHJ ADP 0.001407 0.42219 4.19847
280 1Q3Q ANP 0.01351 0.42082 4.19847
281 4DQ2 BTX 0.003612 0.41962 4.19847
282 1ZFJ IMP 0.04001 0.41632 4.19847
283 2I4O ATP 0.0008036 0.41408 4.19847
284 2P2V CSF 0.01641 0.41284 4.19847
285 1V9N NDP 0.007812 0.4101 4.19847
286 3W54 RNB 0.001893 0.40861 4.19847
287 1P4C FMN 0.04244 0.4038 4.19847
288 2ZSC BTN 0.0005477 0.42838 4.25532
289 2AC7 ADN 0.008641 0.41788 4.25532
290 2WCV FUC 0.0009779 0.41118 4.28571
291 4NAT ADP 0.03532 0.41357 4.375
292 1HFS L04 0.009032 0.40756 4.375
293 1F5F DHT 0.0006712 0.42998 4.39024
294 3GM5 CIT 0.00002704 0.43278 4.40252
295 1PR9 NAP 0.0002968 0.46868 4.5082
296 3D3W NAP 0.004813 0.41732 4.5082
297 4G1V FAD 0.0001366 0.47434 4.58015
298 3P0K FAD 0.0002971 0.45194 4.58015
299 3OZG SSI 0.0002879 0.44123 4.58015
300 1R37 NAD 0.001575 0.44068 4.58015
301 1M7Y PPG 0.001487 0.43636 4.58015
302 2RHW C0E 0.005557 0.43432 4.58015
303 1OTH PAO 0.002154 0.43264 4.58015
304 2Z9V PXM 0.001115 0.4312 4.58015
305 2WKW W22 0.002467 0.42983 4.58015
306 3A1I UNU 0.0006989 0.42733 4.58015
307 4DEC UDP 0.002146 0.42562 4.58015
308 4DEC 3PG 0.002146 0.42562 4.58015
309 2VAR KDF 0.0007252 0.42129 4.58015
310 4G09 0VD 0.001063 0.42023 4.58015
311 2V6O FAD 0.02167 0.42019 4.58015
312 2C7G FAD 0.01615 0.41676 4.58015
313 1KYZ FER 0.003958 0.41664 4.58015
314 2VAR ANP 0.002266 0.41625 4.58015
315 2VAR KDG 0.001045 0.41552 4.58015
316 3ZS7 ATP 0.002679 0.41529 4.58015
317 1JIL 485 0.002142 0.41527 4.58015
318 2C7G ODP 0.01931 0.4127 4.58015
319 4Q0A 4OA 0.0002231 0.41075 4.58015
320 1KBJ FMN 0.004823 0.41031 4.58015
321 3BK2 U5P 0.001453 0.4103 4.58015
322 1KYZ SAH 0.003664 0.4045 4.58015
323 4OCJ NDG 0.03288 0.40374 4.58015
324 1YNH SUO 0.01865 0.403 4.58015
325 2QS8 MET 0.01096 0.40045 4.58015
326 1LCP PLU 0.008741 0.4002 4.58015
327 3QQA TCH 0.00554 0.40316 4.62963
328 1GS5 ANP 0.01426 0.40068 4.65116
329 1GS5 NLG 0.01426 0.40068 4.65116
330 2B82 ADN 0.002237 0.41647 4.73934
331 1FMB HYB 0.001018 0.41594 4.80769
332 4COQ SAN 0.007243 0.4094 4.8583
333 3F81 STT 0.003084 0.43956 4.91803
334 3T2W BTN 0.001549 0.40456 4.91803
335 2GDZ NAD 0.0004498 0.45705 4.96183
336 1A8S PPI 0.001305 0.4565 4.96183
337 2R40 EPH 0.0007367 0.44925 4.96183
338 2R40 20E 0.000489 0.44738 4.96183
339 3KMZ EQO 0.0009661 0.43924 4.96183
340 3UST FAD 0.0004348 0.4346 4.96183
341 2RGH FAD 0.00437 0.42923 4.96183
342 1C0I BE2 0.00617 0.42766 4.96183
343 1C0I FAD 0.00617 0.42766 4.96183
344 1GEX PLP HSA 0.001753 0.42749 4.96183
345 1E2S CSN 0.0007049 0.42436 4.96183
346 2C31 ADP 0.03149 0.41181 4.96183
347 2C31 TZD 0.03235 0.41181 4.96183
348 4B7J G39 0.01108 0.40513 4.96183
349 3B96 FAD 0.01475 0.40435 4.96183
350 4WBD ADP 0.0001167 0.40293 4.96183
351 3SQG TP7 0.003344 0.40179 4.96183
352 2V5E SCR 0.001098 0.47975 5
353 4EKV BTN 0.002545 0.431 5.03145
354 2Z77 NCA 0.006059 0.42344 5.03597
355 1QO0 BMD 0.002718 0.42779 5.10204
356 2Q1S NAI 0.0008835 0.46123 5.34351
357 4CMF PXG 0.001675 0.45518 5.34351
358 1RYI GOA 0.003063 0.43862 5.34351
359 3C1O NAP 0.0008268 0.43853 5.34351
360 3ZGJ RMN 0.002619 0.43608 5.34351
361 1QPB TPP 0.001402 0.43289 5.34351
362 2P8B NSK 0.0302 0.42518 5.34351
363 1RYI FAD 0.007187 0.42122 5.34351
364 1H6C SIN 0.00672 0.42047 5.34351
365 3V91 UPG 0.002302 0.41782 5.34351
366 1QPB PYM 0.004374 0.41347 5.34351
367 2CFU 1DB 0.002994 0.41164 5.34351
368 1H6C NDP 0.01182 0.40831 5.34351
369 4C0C WVH 0.01869 0.40645 5.34351
370 1K6M AGS 0.00007278 0.40588 5.34351
371 1QS8 IVA VAL VAL STA ALA STA 0.005668 0.40278 5.34351
372 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.02037 0.40139 5.34351
373 1G6O ADP 0.03576 0.40103 5.34351
374 1V7R CIT 0.001632 0.47096 5.37634
375 1NVU GTP 0.002464 0.45132 5.42169
376 1NVV GNP 0.004372 0.41198 5.42169
377 3DDC GNP 0.007826 0.40208 5.42169
378 1RZM E4P 0.00006343 0.50774 5.72519
379 2XK9 XK9 0.00008354 0.49238 5.72519
380 4MP8 NAD 0.000401 0.46866 5.72519
381 4MP8 MLI 0.000401 0.46866 5.72519
382 2AQJ TRP 0.002363 0.45442 5.72519
383 4NM5 ADP 0.0003622 0.44864 5.72519
384 1O9U ADZ 0.003166 0.44717 5.72519
385 1DLJ UGA 0.002657 0.44664 5.72519
386 1I7L ATP 0.0006234 0.44148 5.72519
387 1DLJ NAI 0.003758 0.44022 5.72519
388 3D2M COA 0.01335 0.4393 5.72519
389 3MAG 3MA 0.006985 0.43873 5.72519
390 2AQJ FAD 0.00597 0.43765 5.72519
391 1FP1 SAH 0.0004508 0.43402 5.72519
392 1FP1 HCC 0.001608 0.41795 5.72519
393 1RYD NDP 0.01236 0.40751 5.72519
394 1RZM PEP 0.00627 0.40107 5.72519
395 2EB5 OXL 0.01179 0.40023 5.72519
396 3NCQ ATP 0.002245 0.41641 5.88235
397 4K49 HFQ 0.03071 0.40323 5.88235
398 3TA2 AKG 0.0046 0.41545 5.9322
399 3UIE ADX 0.003146 0.4005 6
400 2VBQ BSJ 0.001944 0.43698 6.06061
401 3NKS FAD 0.0003975 0.46882 6.10687
402 1RM4 NDP 0.0005308 0.44945 6.10687
403 1LC8 33P 0.0006118 0.44703 6.10687
404 3IL6 B83 0.0003605 0.44458 6.10687
405 2YBQ UP2 0.001692 0.44185 6.10687
406 1BWV CAP 0.0005717 0.43484 6.10687
407 2YBQ SAH 0.0008085 0.4313 6.10687
408 4HZX G39 0.005255 0.4249 6.10687
409 1GR0 NAD 0.01919 0.42256 6.10687
410 3DG6 MUC 0.001651 0.41079 6.10687
411 4Q3R XA2 0.006191 0.40607 6.10687
412 2BII MTV 0.005645 0.40451 6.10687
413 3KO8 NAD 0.01267 0.40162 6.10687
414 3NKS ACJ 0.003583 0.40068 6.10687
415 2YK7 CSF 0.005264 0.40047 6.10687
416 2AE2 PTO 0.0006568 0.46337 6.15385
417 2AE2 NAP 0.0006568 0.46337 6.15385
418 3K3K A8S 0.00007362 0.4707 6.16114
419 3PNL ADP 0.0004504 0.44501 6.16114
420 2IUW AKG 0.001376 0.40256 6.30252
421 1CBF SAH 0.001384 0.41598 6.31579
422 2IYG FMN 0.00008622 0.45493 6.45161
423 1F3F D4T 0.02972 0.40521 6.45161
424 1F3F D4D 0.01327 0.40521 6.45161
425 3P3N AKG 0.00161 0.4376 6.48855
426 1SOW NAD 0.002888 0.42751 6.48855
427 3ZF8 GDP 0.0003696 0.42581 6.48855
428 4OJ8 2TQ 0.001687 0.423 6.48855
429 3JDW ORN 0.0009494 0.42205 6.48855
430 4USQ FAD 0.006047 0.41697 6.48855
431 1NW5 SAM 0.002525 0.41257 6.48855
432 3HU3 AGS 0.03164 0.40718 6.48855
433 4BPM GSH 0.006346 0.40565 6.48855
434 4OJ8 AKG 0.004363 0.40356 6.48855
435 2Y0I AKG 0.0006117 0.40267 6.48855
436 2WA4 069 0.002478 0.40187 6.48855
437 1SS4 GSH 0.005816 0.45447 6.53595
438 1YRX FMN 0.0002665 0.42905 6.61157
439 3NGU ADP 0.0009887 0.40869 6.62252
440 1WUR 8DG 0.001999 0.42018 6.81818
441 2DTX BMA 0.0006994 0.46111 6.87023
442 2F2U M77 0.0002139 0.44664 6.87023
443 1UOU CMU 0.0004528 0.43141 6.87023
444 3FC4 EDO 0.007367 0.43007 6.87023
445 3NYQ MCA 0.002795 0.42808 6.87023
446 1REO FAD 0.005655 0.42358 6.87023
447 3NYQ AMP 0.003963 0.42322 6.87023
448 9LDB NAD 0.005128 0.41621 6.87023
449 3TXO 07U 0.001202 0.41584 6.87023
450 9LDT NAD 0.008112 0.40822 6.87023
451 2AMV BIN 0.03135 0.40073 6.87023
452 4R3L COA 0.003425 0.4025 6.93642
453 4TMK T5A 0.0008479 0.44892 7.04225
454 4JP3 CIT 0.00125 0.41269 7.11297
455 3L0E G58 0.002115 0.42587 7.11462
456 3SJ7 NDP 0.00885 0.40415 7.14286
457 1QB7 ADE 0.0004506 0.42321 7.20339
458 2OYS FMN 0.00007883 0.47186 7.25191
459 3WE0 FAD 0.001883 0.44746 7.25191
460 4O8A FAD 0.001165 0.442 7.25191
461 1XHL NDP 0.00168 0.43698 7.25191
462 1LDM NAD 0.007255 0.43663 7.25191
463 1TIW TFB 0.002957 0.43416 7.25191
464 1TIW FAD 0.002957 0.43416 7.25191
465 2WQP WQP 0.002536 0.42278 7.25191
466 3M31 FAD 0.00197 0.42218 7.25191
467 1OLS TDP 0.008009 0.422 7.25191
468 3H22 B53 0.001004 0.41871 7.25191
469 3ZRR PXG 0.002768 0.41105 7.25191
470 1Y8O ADP 0.001034 0.4097 7.25191
471 3SSO SAH 0.004079 0.40651 7.25191
472 1VQ2 DDN 0.001168 0.42101 7.25389
473 3O7B SAH 0.001044 0.42501 7.37705
474 1FW1 GSH 0.001741 0.40098 7.40741
475 2Q2V NAD 0.0001892 0.47657 7.45098
476 2QF7 AGS 0.000202 0.46591 7.63359
477 1A27 NAP 0.0003122 0.46337 7.63359
478 4W6Z 8ID 0.0007634 0.45597 7.63359
479 1H82 GZZ 0.003394 0.44904 7.63359
480 3L02 CP 0.00316 0.42594 7.63359
481 3L02 SN0 0.00316 0.42594 7.63359
482 1F74 NAY 0.00121 0.41815 7.63359
483 4IZC 1GZ 0.01454 0.41471 7.63359
484 1A27 EST 0.001756 0.41216 7.63359
485 2HW1 ANP 0.002984 0.41169 7.63359
486 3UR0 SVR 0.01488 0.41064 7.63359
487 4MOB COA 0.01592 0.40396 7.63359
488 1H82 FAD 0.03809 0.40113 7.63359
489 4NVP 7CH 0.00396 0.42561 7.6555
490 1P9P SAH 0.002275 0.41802 7.66284
491 4JHG ZEA 0.002766 0.40485 7.7381
492 3BY8 MLT 0.005352 0.42142 7.74648
493 4LSJ LSJ 0.001148 0.42752 7.75194
494 4GYW UDP 0.00006179 0.49464 8.01527
495 2J07 HDF 0.0007702 0.46863 8.01527
496 2J07 FAD 0.0007702 0.46863 8.01527
497 1D09 PAL 0.005835 0.45852 8.01527
498 1LVL FAD 0.001098 0.45728 8.01527
499 2NX1 RP5 0.000733 0.44555 8.01527
500 2NX1 PEP 0.0007781 0.44453 8.01527
501 1JA9 PYQ 0.001201 0.4386 8.01527
502 3LTW HLZ 0.001741 0.43613 8.01527
503 3VPD ANP 0.0008809 0.4319 8.01527
504 4UAL 3FV 0.0007012 0.42927 8.01527
505 1JA9 NDP 0.0186 0.42096 8.01527
506 1Z4V DAN 0.006698 0.414 8.01527
507 1UKW FAD 0.01035 0.41069 8.01527
508 4HE2 AMP 0.009772 0.40497 8.01527
509 3QM1 ZYC 0.007884 0.40424 8.01527
510 3M0J OAF 0.01209 0.40126 8.01527
511 1EP2 FMN 0.004966 0.41274 8.04598
512 1EP2 FAD 0.005543 0.40482 8.04598
513 1HDR NAD 0.00846 0.42437 8.19672
514 2BTO GTP 0.01389 0.40642 8.33333
515 2PR5 FMN 0.00058 0.40096 8.33333
516 2BLE 5GP 0.002972 0.45083 8.39695
517 4A8H PUW 0.001302 0.43937 8.39695
518 1R6D DAU 0.005155 0.43596 8.39695
519 1R6D NAD 0.007236 0.4304 8.39695
520 4A8T PAO 0.01289 0.42438 8.39695
521 2OD9 A1R NCA 0.004355 0.41775 8.39695
522 3V1U NAD 0.004909 0.41001 8.39695
523 4QCK ASD 0.006092 0.40634 8.39695
524 1KW6 BPY 0.0407 0.40232 8.39695
525 2VEZ G6P 0.001926 0.43188 8.42105
526 1L2T ATP 0.006863 0.40122 8.51064
527 3MBG FAD 0.004675 0.41084 8.63309
528 1NF8 ISC 0.001883 0.40621 8.69565
529 1TUV VK3 0.0001927 0.50637 8.77193
530 4B8V NDG NAG NAG NAG 0.001894 0.42775 8.77193
531 4LXH C1E 0.0002271 0.48275 8.77863
532 2WE5 ADP 0.0005652 0.42788 8.77863
533 1FIQ MTE 0.003136 0.42344 8.77863
534 1FIQ SAL 0.003677 0.42329 8.77863
535 1I36 NAP 0.002789 0.41635 8.77863
536 1HV9 COA 0.01343 0.41501 8.77863
537 3DAG FEG 0.004147 0.41288 8.77863
538 2PTZ PAH 0.001679 0.41288 8.77863
539 1NZY BCA 0.006518 0.40807 8.77863
540 1FIQ FAD 0.01465 0.40132 8.77863
541 3WD1 ST7 0.02394 0.40106 8.77863
542 1YAG ATP 0.005588 0.40468 8.8
543 4P3H 25G 0.01742 0.40775 8.80829
544 1NN5 2DT 0.002338 0.42852 8.83721
545 1NN5 ANP 0.002338 0.42852 8.83721
546 3H86 AP5 0.003824 0.44193 8.85417
547 2FH5 GTP 0.002283 0.41422 8.8785
548 2XD9 XD9 0.034 0.43021 8.98204
549 2IMP NAI 0.02175 0.42218 9.16031
550 1FP2 HMO 0.0009691 0.42172 9.16031
551 4KCF FMN 0.0008045 0.41965 9.16031
552 1ECC PCP 0.002827 0.41612 9.16031
553 2R14 TXD 0.006538 0.41198 9.16031
554 1UMP SQA 0.005152 0.40919 9.16031
555 1FP2 SAH 0.002108 0.40689 9.16031
556 1ZB6 DIN 0.0237 0.40197 9.16031
557 4KCF AKM 0.006967 0.40097 9.16031
558 1T57 FMN 0.001873 0.42126 9.2233
559 1Y9Q MED 0.0001823 0.4784 9.375
560 1KYV RBF 0.00193 0.41286 9.43396
561 1UJ2 C5P 0.001074 0.43581 9.52381
562 1UJ2 ADP 0.004887 0.41009 9.52381
563 3U5S FAD 0.004723 0.40408 9.52381
564 1T0S BML 0.0002999 0.48678 9.54198
565 4AAW R84 0.01846 0.40911 9.54198
566 3O55 FAD 0.003654 0.41503 9.6
567 2PNZ UDP 0.001854 0.42654 9.63855
568 1RKD ADP 0.0009373 0.44717 9.70874
569 1RKD RIB 0.0009373 0.44717 9.70874
570 4G4S LDZ 0.002447 0.40901 9.90991
571 2YOO K2B 0.001456 0.41124 9.92366
572 2J8Z NAP 0.008523 0.4048 9.92366
573 2UZ2 BTN 0.0007732 0.42535 10
574 4G28 0W8 0.0006278 0.41324 10.0671
575 4NPT 017 0.001444 0.4045 10.101
576 2YJ0 420 0.003682 0.44457 10.1449
577 1A8R GTP 0.002437 0.41315 10.4072
578 4LFL TG6 0.0004173 0.42357 10.4938
579 6FIV 3TL 0.0008746 0.42092 10.6195
580 2OCI TYC 0.001025 0.46488 10.6299
581 1EXB NDP 0.03069 0.41232 10.6796
582 4CO3 ATP 0.01329 0.41007 10.7143
583 1QY1 PRZ 0.0003203 0.44865 10.9195
584 1XRO LEU 0.000474 0.49403 11.0687
585 3Q9T FAY 0.001092 0.45197 11.0687
586 2NU8 COA 0.001608 0.43055 11.0687
587 3BL6 FMC 0.001038 0.42511 11.3043
588 3ZZL TRP 0.01159 0.41066 11.4286
589 3GE7 AFQ 0.0007741 0.45187 11.4504
590 4DYO SD4 0.0004576 0.44028 11.4504
591 2NP9 YE1 0.003117 0.42618 11.4504
592 3CQD ATP 0.005057 0.42349 11.4504
593 1O7N IND 0.005686 0.40273 11.4504
594 3FED BIX 0.004122 0.40055 11.4504
595 1MZV AMP 0.0003429 0.43894 11.4894
596 1DR1 NAP 0.004309 0.42634 11.6402
597 1DR1 HBI 0.004309 0.42634 11.6402
598 3TN7 NJP 0.000413 0.46003 11.6732
599 4DEM YS4 0.009136 0.44025 11.8321
600 2RDT 2RD 0.02151 0.41699 11.8321
601 2J5S KTA 0.002651 0.40979 11.8321
602 1N9L FMN 0.0004639 0.40189 11.9266
603 2YGN PCF 0.002469 0.42618 12.1795
604 4M5P MLA 0.0001141 0.52985 12.2137
605 4M5P 23W 0.001804 0.45043 12.2137
606 3GWT 066 0.001579 0.43671 12.2137
607 4FWE FAD 0.003579 0.43578 12.2137
608 3CKZ ZMR 0.01768 0.40487 12.2137
609 3ZZS TRP 0.00251 0.43368 12.3077
610 4PO2 ASN ARG LEU LEU LEU THR GLY 0.003148 0.4126 12.3404
611 1T26 GBD 0.01701 0.43271 12.5954
612 1T26 NAI 0.01701 0.43271 12.5954
613 1G41 ADP 0.01068 0.42384 12.5954
614 3NNF AKG 0.0001617 0.40802 12.5954
615 1BGQ RDC 0.005314 0.41015 13.3333
616 1JYQ MAZ PTR PTM ASN 0.01032 0.42147 13.5417
617 1OGZ EQU 0.002574 0.40126 13.6
618 3U4C NDP 0.001805 0.43158 13.7405
619 2P1O IHP 0.004348 0.41778 13.7405
620 2P1O NLA 0.004348 0.41778 13.7405
621 1KBI FMN 0.003468 0.41744 13.7405
622 1KBI PYR 0.003468 0.41744 13.7405
623 1ZK7 FAD 0.01277 0.4143 14.1221
624 4BJZ P3A 0.04822 0.40344 14.1221
625 4BJZ FAD 0.04822 0.40344 14.1221
626 3F8C HT1 0.006213 0.40654 14.2857
627 2HGS ADP 0.000128 0.46597 14.5038
628 1TDF NAP 0.004589 0.44917 14.5038
629 4AF0 IMP 0.004687 0.43445 14.5038
630 1TDF FAD 0.006601 0.42728 14.5038
631 2XBN PMP 0.002308 0.42282 14.8855
632 1MQ0 BRD 0.001473 0.41261 15
633 1A8U BEZ 0.0006342 0.41377 15.6489
634 4BMO FMN 0.002115 0.42431 15.9664
635 1YB5 NAP 0.005246 0.41948 16.4122
636 3BAZ NAP 0.001057 0.43608 16.5165
637 1NNU TCT 0.005669 0.44961 16.6667
638 1NNU NAD 0.005669 0.44961 16.6667
639 2FOI JPA 0.001328 0.40684 16.6667
640 1Q11 TYE 0.002168 0.41961 17.4731
641 1BDB NAD 0.02779 0.41426 17.5573
642 2Q8H TF4 0.02474 0.40349 18.3206
643 1C3V NDP 0.002461 0.42899 19.1837
644 1C3V PDC 0.01686 0.40259 19.1837
645 1SB8 UD2 0.0125 0.41943 19.8473
646 1SB8 NAD 0.01281 0.41589 19.8473
647 1OFH ADP 0.02668 0.40857 20.1149
648 1A69 FMB 0.04129 0.40204 20.5882
649 3I28 34N 0.001162 0.45919 21.374
650 4W97 UCA 0.001076 0.43408 24.5
651 4F4S EFO 0.00549 0.4034 25
652 3IIS PID 0.01542 0.42516 26.4901
653 1EZV SMA 0.005257 0.41033 28.3784
654 2FR6 URI 0.0001074 0.42073 35.6164
655 2FR6 CTN 0.0002948 0.40639 35.6164
Pocket No.: 2; Query (leader) PDB : 1EB9; Ligand: HBA; 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: 1eb9.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1EB9; Ligand: HBA; 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: 1eb9.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1EB9; Ligand: HBA; 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: 1eb9.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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