Receptor
PDB id Resolution Class Description Source Keywords
2BK3 1.8 Å EC: 1.4.3.4 HUMAN MONOAMINE OXIDASE B IN COMPLEX WITH FARNESOL HOMO SAPIENS ACETYLATION FARNESOL FAD FAD-CONTAINING AMINE OXIDASE FLAVOPROTEIN MAOB MITOCHONDRION OXIDOREDUCTASE TRANSMEMBRANE
Ref.: DEMONSTRATION OF ISOLEUCINE 199 AS A STRUCTURAL DETERMINANT FOR THE SELECTIVE INHIBITION OF HUMAN MONOAMINE OXIDASE B BY SPECIFIC REVERSIBLE INHIBITORS J.BIOL.CHEM. V. 280 15761 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:1502;
B:1497;
Part of Protein;
Part of Protein;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
FOH A:1503;
B:1498;
Valid;
Valid;
none;
none;
Ki = 2.3 uM
222.366 C15 H26 O CC(=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2XCG 1.9 Å EC: 1.4.3.4 TRANYLCYPROMINE-INHIBITED HUMAN MONOAMINE OXIDASE B IN COMPLEX WITH 2-(2-BENZOFURANYL)-2-IMIDAZOLINE HOMO SAPIENS FLAVOPROTEIN MAOB MITOCHONDRION OXIDOREDUCTASE TRANSMEMB
Ref.: POTENTIATION OF LIGAND BINDING THROUGH COOPERATIVE IN MONOAMINE OXIDASE B. J.BIOL.CHEM. V. 285 36849 2010
Members (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2BK3 Ki = 2.3 uM FOH C15 H26 O CC(=CCC/C(....
2 1OJA Ki = 3 uM ISN C8 H5 N O2 c1ccc2c(c1....
3 2XFO Ki = 58 uM XCG C11 H8 N2 O c1ccc2c(c1....
4 1OJ9 Ki = 35 uM 1PB C16 H16 c1ccc(cc1)....
5 2XCG Kd = 9 nM XCG C11 H8 N2 O c1ccc2c(c1....
6 3PO7 Ki = 3.1 uM ZON C8 H8 N2 O3 S c1ccc2c(c1....
7 2BK5 Ki = 3 uM ISN C8 H5 N O2 c1ccc2c(c1....
8 2V5Z Ki = 0.45 uM SAG C17 H17 F N2 O2 C[C@@H](C(....
9 2XFN Ki = 8.3 uM XCG C11 H8 N2 O c1ccc2c(c1....
10 3ZYX Ki = 0.143 uM MBT C16 H18 N3 S CN(C)c1ccc....
11 2C67 Ki = 17 uM RM1 C10 H13 N CN[C@@H]1C....
12 2C70 - PNZ C7 H8 N2 O2 c1cc(ccc1C....
13 4A79 Ki = 0.5 uM P1B C19 H20 N2 O3 S CCc1ccc(nc....
14 4A7A Ki = 4.2 uM RGZ C18 H19 N3 O3 S CN(CCOc1cc....
15 2V61 Ki = 0.1 uM C18 C18 H16 Cl N O3 CNCC1=CC(=....
16 2XFP - ISN C8 H5 N O2 c1ccc2c(c1....
17 2V60 Ki = 0.4 uM C17 C17 H11 Cl O4 c1cc(cc(c1....
18 2XFQ - XCG C11 H8 N2 O c1ccc2c(c1....
70% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2Z5Y - HRM C13 H12 N2 O Cc1c2c(ccn....
2 2Z5X - HRM C13 H12 N2 O Cc1c2c(ccn....
3 2BK3 Ki = 2.3 uM FOH C15 H26 O CC(=CCC/C(....
4 1OJA Ki = 3 uM ISN C8 H5 N O2 c1ccc2c(c1....
5 2XFO Ki = 58 uM XCG C11 H8 N2 O c1ccc2c(c1....
6 1OJ9 Ki = 35 uM 1PB C16 H16 c1ccc(cc1)....
7 2XCG Kd = 9 nM XCG C11 H8 N2 O c1ccc2c(c1....
8 3PO7 Ki = 3.1 uM ZON C8 H8 N2 O3 S c1ccc2c(c1....
9 2BK5 Ki = 3 uM ISN C8 H5 N O2 c1ccc2c(c1....
10 2V5Z Ki = 0.45 uM SAG C17 H17 F N2 O2 C[C@@H](C(....
11 2XFN Ki = 8.3 uM XCG C11 H8 N2 O c1ccc2c(c1....
12 3ZYX Ki = 0.143 uM MBT C16 H18 N3 S CN(C)c1ccc....
13 2C67 Ki = 17 uM RM1 C10 H13 N CN[C@@H]1C....
14 2C70 - PNZ C7 H8 N2 O2 c1cc(ccc1C....
15 4A79 Ki = 0.5 uM P1B C19 H20 N2 O3 S CCc1ccc(nc....
16 4A7A Ki = 4.2 uM RGZ C18 H19 N3 O3 S CN(CCOc1cc....
17 2V61 Ki = 0.1 uM C18 C18 H16 Cl N O3 CNCC1=CC(=....
18 2XFP - ISN C8 H5 N O2 c1ccc2c(c1....
19 2V60 Ki = 0.4 uM C17 C17 H11 Cl O4 c1cc(cc(c1....
20 2XFQ - XCG C11 H8 N2 O c1ccc2c(c1....
50% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2Z5Y - HRM C13 H12 N2 O Cc1c2c(ccn....
2 2Z5X - HRM C13 H12 N2 O Cc1c2c(ccn....
3 2BK3 Ki = 2.3 uM FOH C15 H26 O CC(=CCC/C(....
4 1OJA Ki = 3 uM ISN C8 H5 N O2 c1ccc2c(c1....
5 2XFO Ki = 58 uM XCG C11 H8 N2 O c1ccc2c(c1....
6 1OJ9 Ki = 35 uM 1PB C16 H16 c1ccc(cc1)....
7 2XCG Kd = 9 nM XCG C11 H8 N2 O c1ccc2c(c1....
8 3PO7 Ki = 3.1 uM ZON C8 H8 N2 O3 S c1ccc2c(c1....
9 2BK5 Ki = 3 uM ISN C8 H5 N O2 c1ccc2c(c1....
10 2V5Z Ki = 0.45 uM SAG C17 H17 F N2 O2 C[C@@H](C(....
11 2XFN Ki = 8.3 uM XCG C11 H8 N2 O c1ccc2c(c1....
12 3ZYX Ki = 0.143 uM MBT C16 H18 N3 S CN(C)c1ccc....
13 2C67 Ki = 17 uM RM1 C10 H13 N CN[C@@H]1C....
14 2C70 - PNZ C7 H8 N2 O2 c1cc(ccc1C....
15 4A79 Ki = 0.5 uM P1B C19 H20 N2 O3 S CCc1ccc(nc....
16 4A7A Ki = 4.2 uM RGZ C18 H19 N3 O3 S CN(CCOc1cc....
17 2V61 Ki = 0.1 uM C18 C18 H16 Cl N O3 CNCC1=CC(=....
18 2XFP - ISN C8 H5 N O2 c1ccc2c(c1....
19 2V60 Ki = 0.4 uM C17 C17 H11 Cl O4 c1cc(cc(c1....
20 2XFQ - XCG C11 H8 N2 O c1ccc2c(c1....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FOH; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 FOH 1 1
2 64Z 0.862069 0.956522
3 SQL 0.6875 0.666667
4 GER 0.628571 0.695652
5 FAR 0.628571 0.695652
6 28U 0.466667 0.633333
7 58X 0.425 0.653846
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2XCG; Ligand: XCG; Similar sites found: 405
This union binding pocket(no: 1) in the query (biounit: 2xcg.bio2) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NU4 MLA 0.03626 0.42356 None
2 3OND ADN 0.001429 0.40584 1.22951
3 3OND NAD 0.001429 0.40584 1.22951
4 3ZF8 GDP 0.0009712 0.44902 1.31148
5 2QF7 COA 0.00075 0.44309 1.34615
6 2YP9 SIA CMO 0.006207 0.40177 1.39165
7 3BY8 MLT 0.00206 0.46596 1.40845
8 4JWX 1N4 0.003417 0.43684 1.42857
9 3DER ALA LYS 0.002502 0.40338 1.44928
10 4J7H TLO 0.0006614 0.42303 1.4862
11 4C2G ALA ALA ALA ALA 0.01416 0.40537 1.56951
12 3QV9 QV7 0.006776 0.42911 1.60321
13 2P69 PLP 0.0003232 0.48866 1.63399
14 1UF5 CDT 0.004129 0.42323 1.65016
15 1FP2 HMO 0.000103 0.47075 1.70455
16 1FP2 SAH 0.00836 0.40248 1.70455
17 1GJW GLC 0.005492 0.44537 1.73077
18 1GJW MAL 0.001936 0.43673 1.73077
19 1Z44 NPO 0.003423 0.48996 1.77515
20 1Z41 FMN 0.002602 0.41789 1.77515
21 3NYQ MCA 0.00008801 0.41253 1.78218
22 3NYQ AMP 0.00007951 0.4099 1.78218
23 1Y42 TYR 0.006253 0.42538 1.78571
24 1YOA FMN 0.003785 0.48746 1.88679
25 1YOA FAD 0.0009242 0.41436 1.88679
26 2RL1 UD1 0.0005254 0.4116 1.88679
27 2BII MTV 0.0009103 0.41099 1.88679
28 4PB2 5UD 0.00295 0.40803 1.88679
29 3O2K QRP 0.00747 0.41264 1.89873
30 3O2K DST 0.02361 0.40007 1.89873
31 1UMP SQA 0.0001642 0.42721 1.92308
32 4IVG ANP 0.00003181 0.41427 1.92308
33 1QPB TPP 0.0004007 0.41179 1.92308
34 1P1M MET 0.001174 0.41091 1.97044
35 2F2U M77 0.0001252 0.48551 1.99005
36 2GWD GLU 0.002958 0.4342 2.00445
37 2BO4 FLC 0.002649 0.46068 2.01511
38 4W6Z ETF 0.0009553 0.49961 2.01729
39 1B5E DCM 0.005655 0.42229 2.03252
40 3NNF AKG 0.0002682 0.50016 2.03488
41 3TFC PEP 0.007377 0.42224 2.07792
42 3A1I UNU 0.001226 0.44488 2.11538
43 3PC3 P1T 0.0004028 0.43035 2.11538
44 2EJU SAH 0.002861 0.40851 2.1164
45 1TFZ 869 0.003423 0.40216 2.12264
46 1F1V DHY 0.002798 0.43522 2.16718
47 2P8B NSK 0.01052 0.40623 2.16802
48 1R6W 164 0.0005643 0.44291 2.17391
49 2C7G FAD 0.001377 0.41235 2.19298
50 4HZO COA 0.003401 0.43693 2.20126
51 4KCT PYR 0.000811 0.45796 2.20441
52 4KCT FDP 0.0005153 0.4547 2.20441
53 4LIT AKG 0.002312 0.45018 2.2113
54 3UST FAD 0.007209 0.40118 2.24719
55 3GWT 066 0.0001727 0.41404 2.26629
56 1ZED PNP 0.00505 0.44713 2.27273
57 3GTD MLI 0.00966 0.42215 2.28216
58 3OCZ SRA 0.003475 0.40922 2.29008
59 1C7S CBS 0.00262 0.42656 2.30769
60 4PNI KQQ 0.001183 0.40395 2.30769
61 4BG1 IVL 0.003063 0.40039 2.32558
62 4BG1 OGA 0.003063 0.40039 2.32558
63 4OB6 S2T 0.00148 0.42713 2.34604
64 2NCD ADP 0.006618 0.42957 2.38095
65 2Q1A 2KT 0.0007635 0.479 2.38908
66 2XDQ MGX 0.0002083 0.53409 2.3913
67 2NLI FMN 0.002256 0.40636 2.44565
68 3O7B SAH 0.0009239 0.42607 2.45902
69 2ZWS PLM 0.03224 0.43408 2.5
70 2YFT DQR 0.004709 0.40817 2.5
71 2Z9V PXM 0.000654 0.46816 2.55102
72 4OYA 1VE 0.007166 0.40946 2.55319
73 1QH9 LAC 0.001631 0.46364 2.58621
74 1U5R ATP 0.0008664 0.4359 2.58621
75 1I2L DCS 0.0006123 0.42822 2.60223
76 3PMD 11A 0.01385 0.40159 2.61438
77 3DGB MUC 0.002496 0.42739 2.6178
78 1E4E PHY 0.0006033 0.44182 2.62391
79 1E4E ADP 0.001437 0.41921 2.62391
80 4NTD FAD 0.0002201 0.42069 2.64706
81 1U7Z PMT 0.0005236 0.40318 2.65487
82 1M5B BN1 0.0002287 0.4378 2.6616
83 2YIV YIV 0.001076 0.48782 2.69231
84 4O8A 2OP 0.009625 0.44721 2.69231
85 2YIV NBN 0.01796 0.42041 2.69231
86 1TIW FAD 0.0003436 0.41498 2.69231
87 1TIW TFB 0.0003436 0.41498 2.69231
88 2YYJ 4HP 0.005341 0.40696 2.7027
89 2YYJ FAD 0.005341 0.40696 2.7027
90 3BAZ NAP 0.001148 0.40111 2.7027
91 1TV5 A26 0.0009514 0.41394 2.7088
92 1CTU ZEB 0.004955 0.40356 2.72109
93 1QS8 IVA VAL VAL STA ALA STA 0.002097 0.41334 2.73556
94 3UEC ALA ARG TPO LYS 0.003982 0.45213 2.73973
95 3PXP MYR 0.0009089 0.43061 2.73973
96 1FIQ SAL 0.000362 0.40637 2.73973
97 3NFZ 3NF 0.01196 0.40021 2.75229
98 4IXW IXW 0.01421 0.40531 2.75591
99 4E28 0MZ 0.02599 0.40264 2.76923
100 1FW1 GSH 0.0003822 0.45443 2.77778
101 4CCO OGA 0.002819 0.44049 2.78373
102 3EE4 MYR 0.0006961 0.42227 2.78638
103 2XK9 XK9 0.0006225 0.40236 2.79503
104 1T10 F6P 0.01084 0.41989 2.88462
105 3L6R MLI 0.001647 0.47065 2.89017
106 1XE7 GUN 0.002491 0.47789 2.95567
107 1OYB FMN 0.001644 0.40267 3
108 2OWZ CIT 0.00006603 0.5285 3.01205
109 2Q8M AMP 0.002076 0.43059 3.01205
110 1V6A TRE 0.01525 0.41317 3.01205
111 1QF5 GDP 0.001985 0.40145 3.01624
112 1QF5 RPL 0.001985 0.40145 3.01624
113 3SIX GDP 0.001233 0.4396 3.0303
114 1CKM GTP 0.002533 0.43705 3.0303
115 2RCN GDP 0.006479 0.41518 3.07263
116 3BK2 U5P 0.001284 0.4389 3.07692
117 3F3E LEU 0.00004849 0.43872 3.08285
118 4DYO SD4 0.001065 0.45296 3.09278
119 4UAL 3FV 0.00006294 0.47315 3.10263
120 2JBH 5GP 0.0006607 0.46173 3.11111
121 1A27 EST 0.001671 0.42514 3.11419
122 3P7I P7I 0.002132 0.44578 3.11526
123 2Q09 DI6 0.00464 0.42593 3.125
124 2IXB NAD 0.0003079 0.4069 3.15315
125 2IXB A2G 0.0006448 0.4069 3.15315
126 2WMO GTP 0.001991 0.42666 3.15789
127 1CBF SAH 0.004538 0.40877 3.15789
128 3L0E G58 0.0006363 0.40573 3.16206
129 3TKA CTN 0.001857 0.52922 3.17003
130 3TKA SAM 0.002124 0.4058 3.17003
131 1A59 COA 0.002307 0.41186 3.1746
132 2Y7G AAE 0.0007475 0.43831 3.19149
133 2Y7P SAL 0.0007924 0.46453 3.21101
134 1EYE PMM 0.0006422 0.45089 3.21429
135 2R5T ANP 0.0002981 0.43065 3.21716
136 1FBL HTA 0.001897 0.4371 3.24324
137 4KGM ATP 0.01068 0.40218 3.26531
138 2PP3 LGT 0.003735 0.41607 3.26633
139 1V35 NAI 0.0006688 0.40984 3.26923
140 1DXY COI 0.009828 0.44674 3.3033
141 1DXY NAD 0.0003164 0.41489 3.3033
142 9LDT OXM 0.01606 0.44305 3.31325
143 2EB5 OXL 0.01258 0.42222 3.37079
144 4U9W SER GLY ARG GLY LYS NH2 0.0113 0.42168 3.38164
145 4U9W COA 0.002463 0.41471 3.38164
146 1F5F DHT 0.0002079 0.45411 3.41463
147 2Y6P CTP 0.008215 0.41094 3.4188
148 2J5S KTA 0.001423 0.41936 3.42205
149 4EXO PYR 0.002423 0.47013 3.42466
150 1QY1 PRZ 0.000007082 0.4272 3.44828
151 1GEE NAD 0.0003228 0.40117 3.44828
152 2JC9 ADN 0.002198 0.4452 3.46154
153 1T26 GBD 0.01044 0.40204 3.46154
154 1T26 NAI 0.01044 0.40204 3.46154
155 3DX5 DHB 0.005226 0.41902 3.4965
156 3SCH TB6 0.001103 0.47156 3.53535
157 1ZZ7 S0H 0.001321 0.45485 3.53535
158 3DG6 MUC 0.0004964 0.45004 3.54223
159 2ZSC BTN 0.0001331 0.47218 3.5461
160 4R33 SAH 0.0001629 0.41919 3.57143
161 4R33 TRP 0.0001629 0.41919 3.57143
162 1Y7P RIP 0.002493 0.46952 3.58744
163 1YHM AHD 0.002248 0.45072 3.59116
164 2DWU DGL 0.004288 0.42738 3.62319
165 1LYX PGA 0.004462 0.41308 3.62903
166 1O68 KIV 0.01838 0.40485 3.63636
167 3W54 RNB 0.0006446 0.44564 3.64742
168 4WBD ADP 0.001793 0.46887 3.65385
169 4WBD CIT 0.003059 0.46506 3.65385
170 4RJK PYR 0.008497 0.44277 3.65385
171 4RJK TPP 0.0001115 0.42486 3.65385
172 2CKM AA7 0.0005637 0.41206 3.65385
173 1Z4V DAN 0.008633 0.40588 3.65385
174 3ZPG 5GP 0.00155 0.48864 3.66492
175 1UW1 ADP 0.01628 0.41188 3.75
176 4OJ8 AKG 0.0009508 0.42156 3.75427
177 4OJ8 2TQ 0.0007049 0.41826 3.75427
178 1A5Z OXM 0.04369 0.40676 3.76176
179 1I36 NAP 0.001826 0.4012 3.78788
180 3U7Y FLC 0.01001 0.47005 3.80952
181 1Y1A GSH 0.003214 0.49896 3.82514
182 1RZM E4P 0.002557 0.46142 3.84615
183 1RZM PEP 0.005048 0.42944 3.84615
184 4GYW UDP 0.0002939 0.40896 3.84615
185 2C31 TZD 0.003807 0.40786 3.84615
186 2C31 ADP 0.003877 0.40699 3.84615
187 3Q9T FAY 0.001007 0.40118 3.84615
188 3M31 FAD 0.0009493 0.4104 3.86598
189 2ZJF BSU 0.008432 0.41047 3.8674
190 1PEA ACM 0.01607 0.42882 3.8961
191 1B63 ANP 0.001228 0.41026 3.9039
192 1G8S MET 0.0009117 0.47541 3.91304
193 2Q2V NAD 0.00008433 0.40819 3.92157
194 1UCN ADP 0.002177 0.42516 3.94737
195 3O55 FAD 0.00115 0.4011 4
196 2ZJ5 ADP 0.008118 0.42556 4.03846
197 4EPL JAI 0.00275 0.41698 4.03846
198 4R3L COA 0.004164 0.40824 4.04624
199 4M5P MLA 0.01365 0.44691 4.1769
200 4M5P 23W 0.00737 0.44588 4.1769
201 3ZOD HQE 0.0003798 0.41249 4.18848
202 3ZOD FMN 0.0003798 0.41249 4.18848
203 1EB9 HBA 0.002026 0.431 4.19847
204 3KMT SAH 0.0003264 0.45709 4.20168
205 1SQ5 PAU 0.006066 0.42595 4.22078
206 1SQ5 ADP 0.007508 0.4083 4.22078
207 1Y2W NAG 0.001564 0.46449 4.22535
208 3B96 MYA 0.001077 0.41967 4.23077
209 3PLN U5P 0.009082 0.41829 4.24528
210 2YGO PCF 0.0002017 0.41386 4.25532
211 1QZZ SAM 0.001801 0.42835 4.27807
212 4IHQ ADP 0.00391 0.42907 4.2885
213 3SQG TP7 0.001414 0.42788 4.30108
214 3SQG COM 0.03568 0.42394 4.30108
215 4C6F NCD 0.0009487 0.44944 4.3257
216 4C6F DOR 0.0009487 0.44944 4.3257
217 3BHO B4P 0.009114 0.45651 4.32692
218 3SHR CMP 0.001962 0.43649 4.34783
219 1XIU REA 0.001178 0.42648 4.34783
220 2PT9 2MH 0.0002932 0.41181 4.36137
221 1PX8 XYP 0.001807 0.455 4.4
222 2Q37 3AL 0.004207 0.43845 4.41989
223 2RHQ GAX 0.000803 0.41638 4.42177
224 1I0Z OXM 0.002506 0.47776 4.42308
225 2O66 FLC 0.003336 0.443 4.44444
226 2WCI GSH 0.003787 0.44051 4.44444
227 2F59 INI 0.0007802 0.42869 4.4586
228 1Q3P GLU ALA GLN THR ARG LEU 0.0006177 0.46296 4.58716
229 2BZ1 TAU 0.01683 0.45037 4.59184
230 3D2Y AH0 ALA FGA LYS 0.003784 0.40416 4.5977
231 4NAO AKG 0.04186 0.40243 4.60123
232 1Q6O LG6 0.001645 0.4254 4.62963
233 1NHZ 486 0.0004891 0.42352 4.64286
234 3CEV ARG 0.003855 0.42934 4.68227
235 4TMK T5A 0.007517 0.41255 4.69484
236 1SZD APR 0.00009735 0.40066 4.7138
237 3IBH GSH 0.000965 0.42133 4.72103
238 4AF5 CIT 0.0008526 0.47676 4.73684
239 4IMG NGF 0.0005711 0.42927 4.77816
240 4JCA CIT 0.0008617 0.51234 4.79042
241 2VAR AMP 0.0002305 0.47464 4.79233
242 2VAR KDF 0.001763 0.43341 4.79233
243 2VAR ANP 0.0004672 0.42816 4.79233
244 2VAR KDG 0.006222 0.41156 4.79233
245 2JFV FLC 0.01336 0.42099 4.811
246 2YC5 6BC 0.00006089 0.43301 4.82456
247 1WRA PC 0.0005499 0.49365 4.87013
248 3ZUY TCH 0.001905 0.43702 4.95356
249 4L1F COS 0.001281 0.40618 4.96084
250 2VQ5 HBA 0.0007472 0.48722 4.97512
251 2VQ5 LDP 0.0121 0.442 4.97512
252 2VDJ HSE 0.02059 0.42339 4.98339
253 4K30 NLG 0.0009376 0.46134 5
254 1X1T NAD 0.00529 0.40256 5
255 2B7N NTM 0.002724 0.44696 5.12821
256 2YGN PCF 0.0003951 0.40019 5.12821
257 1H16 PYR 0.001462 0.48114 5.19231
258 1H16 DTL 0.04308 0.41289 5.19231
259 2V6O FAD 0.004277 0.40679 5.19231
260 3K3K A8S 0.00182 0.41172 5.21327
261 4LN7 1ZQ 0.002991 0.41162 5.26316
262 2IZ1 ATR 0.0002296 0.5033 5.27426
263 2QCX PF1 0.0005074 0.47984 5.32319
264 2HFK E4H 0.0002826 0.48405 5.32915
265 1TDF NAP 0.001573 0.41983 5.37975
266 2C2A ADP 0.0004234 0.44278 5.42636
267 3RK0 AMP 0.002519 0.42724 5.48523
268 1SOW NAD 0.0002911 0.40907 5.4878
269 3I8T LBT 0.0226 0.4009 5.4878
270 1A8S PPI 0.002751 0.42805 5.49451
271 3QP4 HL0 0.002464 0.41878 5.49451
272 3MAG 3MA 0.02584 0.43168 5.53746
273 3MAG SAH 0.001115 0.41914 5.53746
274 2YVF NAD 0.000278 0.43844 5.57692
275 2YVF FAD 0.0002946 0.43683 5.57692
276 1WNG SAH 0.0004301 0.43356 5.57692
277 2OFE NAG 0.002036 0.45915 5.6338
278 2IYG FMN 0.0007205 0.4489 5.64516
279 4L7I SAM 0.0007825 0.43299 5.65111
280 2WK1 SAH 0.001606 0.40993 5.67376
281 1D6H COA 0.0007365 0.41071 5.68475
282 1E5F PLP 0.003708 0.41208 5.69307
283 1B7Y FYA 0.0005209 0.41172 5.71429
284 2WA4 069 0.0002938 0.46442 5.73066
285 3P3N AKG 0.005708 0.43827 5.73066
286 3JQ3 ADP 0.006184 0.41602 5.7377
287 2NVK NAP 0.02052 0.40275 5.7377
288 1EP2 ORO 0.0002195 0.41544 5.74713
289 1YRX FMN 0.001121 0.43633 5.78512
290 4WVH ASP HIS ASP ALA HIS ALA 0.0008695 0.45669 5.81613
291 3W8S GSH 0.01887 0.40897 5.82524
292 1C1L GAL BGC 0.006622 0.44144 5.83942
293 1EYQ NAR 0.0007754 0.45879 5.85586
294 1SS4 GSH 0.0007706 0.52935 5.88235
295 2JL1 NAP 0.001603 0.40642 5.92335
296 3EW2 BTN 0.001164 0.45133 5.92593
297 3MTW M3R 0.002425 0.41904 5.95534
298 4Q0A 4OA 0.0003187 0.44259 5.96026
299 1NXJ TLA 0.003307 0.41196 6.01093
300 1GSA ADP 0.001913 0.40195 6.01266
301 4ASJ N6A 0.00156 0.40341 6.14334
302 4JEJ 1GP 0.001422 0.43714 6.14754
303 1WDA BAG 0.003039 0.43371 6.15385
304 3LPF Z77 0.0003001 0.41558 6.15385
305 1EJE FMN 0.003994 0.40332 6.25
306 1RYI GOA 0.0002129 0.56904 6.28272
307 2C5S AMP 0.0004209 0.47 6.2954
308 4B9E FAH 0.007913 0.43769 6.31229
309 3I8P 840 0.0004049 0.44835 6.32318
310 3OIG NAD 0.002136 0.40863 6.39098
311 2QV7 ADP 0.006693 0.4024 6.52819
312 3TN7 NJP 0.0001518 0.41026 6.61479
313 4P4T GDP 0.003369 0.40597 6.66667
314 2VHJ ADP 0.002087 0.40965 6.94864
315 4M51 BEZ 0.000295 0.51597 7.02576
316 2R40 EPH 0.0002692 0.4078 7.22433
317 1N9L FMN 0.00005955 0.46863 7.33945
318 3KJQ B94 0.008958 0.40524 7.36842
319 3E6J DR2 0.03508 0.4209 7.42358
320 1JQI CAA 0.0002591 0.4248 7.47423
321 1ZJ6 G3D 0.00571 0.41305 7.48663
322 3LTW HLZ 0.008635 0.42987 7.5
323 3WE0 FAD 0.0003063 0.42223 7.5
324 3GM5 CIT 0.002924 0.45182 7.54717
325 2WUF KEM 0.0001202 0.43945 7.56014
326 3A2Y TS5 0.000721 0.4343 7.61421
327 1OGD RIP 0.011 0.41464 7.63359
328 1K6M AGS 0.0009863 0.41342 7.63889
329 1QO0 BMD 0.004172 0.44462 7.65306
330 3QDT A2G GAL 0.0001443 0.53152 7.69231
331 3QDY A2G GAL 0.001025 0.48886 7.69231
332 3QDY CBS 0.0007637 0.48676 7.69231
333 2JGS BTN 0.01077 0.41749 7.69231
334 4KCF AKM 0.0004317 0.42374 7.70925
335 3L24 GOA 0.001474 0.48978 7.73694
336 3I51 45C 0.001995 0.43128 7.77778
337 4PTZ FMN 0.003291 0.41009 7.8534
338 3E81 SLB 0.02222 0.40574 7.92683
339 1JH7 UVC 0.004981 0.43514 7.93651
340 4NM5 ADP 0.0005924 0.42076 7.95756
341 2BOI MFU 0.001955 0.44743 7.9646
342 1QDS PGA 0.008161 0.41106 7.96813
343 1GPJ CIT 0.005311 0.43973 8.07692
344 1HDR NAD 0.002039 0.40199 8.19672
345 4F8L GAL 0.00476 0.48178 8.27586
346 1SJW NGV 0.001819 0.42375 8.33333
347 4B8V NDG NAG NAG NAG 0.0001815 0.40411 8.33333
348 2HNK SAH 0.001622 0.41347 8.3682
349 3SJ0 DXC 0.005128 0.44681 8.4507
350 4IAE 1DX 0.001367 0.4078 8.46561
351 2YDW WSH 0.001058 0.44749 8.49673
352 3D3H M4O 0.004063 0.41059 8.5
353 1O9U ADZ 0.02201 0.42834 8.57143
354 1GU3 BGC BGC BGC BGC BGC 0.01542 0.40821 8.72483
355 1EXB NDP 0.003021 0.41054 8.73786
356 1MXI SAH 0.0008826 0.42678 8.75
357 1RHC F42 ACN 0.0004388 0.40104 8.78788
358 2FH5 GTP 0.001755 0.41228 8.8785
359 3CF6 SP1 0.001005 0.43347 9.03846
360 3I0O ADP 0.002471 0.43239 9.14454
361 1O7N IND 0.002321 0.40109 9.27835
362 3F81 STT 0.001299 0.49265 9.28962
363 1WGC SIA GAL BGC 0.03153 0.42691 9.35672
364 1T0I FMN 0.0006419 0.43172 9.42408
365 1SC3 MLI 0.02042 0.42357 9.55056
366 5RHN 8BR 0.001524 0.42665 9.56522
367 2W3L DRO 0.0005877 0.51061 9.72222
368 2PR5 FMN 0.0001187 0.45793 9.84848
369 1ULE GLA GAL NAG 0.006955 0.44715 10
370 3NKS FAD 0.0008471 0.40222 10
371 3U1T MLI 0.004308 0.45047 10.0324
372 4LHM AZZ 0.0003239 0.48862 10.2273
373 3RF4 FUN 0.0009143 0.46182 10.3448
374 1BTN I3P 0.00233 0.50679 10.3774
375 1TUV VK3 0.02566 0.42483 10.5263
376 1KTC NGA 0.002932 0.43975 10.6173
377 2E1A MSE 0.00196 0.44176 10.6667
378 1Y75 NAG 0.002798 0.43523 11.0169
379 4N7C AEF 0.001086 0.47939 11.3636
380 1JN2 SFP 0.02973 0.45419 11.8143
381 4QDF 30Q 0.0007447 0.40209 12.0513
382 1MQ0 BRD 0.0003258 0.45712 12.1429
383 3PVT 3HC 0.0005826 0.407 12.3552
384 4JP3 CIT 0.0004786 0.45598 12.5523
385 1I2B NAD 0.001248 0.41288 12.6238
386 1I2B UPG 0.001248 0.41288 12.6238
387 1I2B USQ 0.001248 0.41288 12.6238
388 4F4S EFO 0.001347 0.45448 13.1579
389 2FOI JPA 0.008284 0.41079 13.3333
390 3S9K CIT 0.000752 0.54177 13.5593
391 2FR6 URI 0.00005111 0.47101 14.3836
392 2FR6 CTN 0.00009245 0.4618 14.3836
393 1JCM 137 0.000527 0.40183 14.6718
394 1H8G CHT 0.01277 0.45726 14.7368
395 4G28 0W8 0.00009917 0.49653 14.7651
396 2ORV 4TA 0.000351 0.42063 16.2393
397 4B16 NAG 0.002292 0.48921 16.5414
398 2QLX RM4 0.004976 0.44745 18.5185
399 3F8C HT1 0.00007515 0.51718 19.0476
400 1UXG FUM 0.0007732 0.40457 19.4175
401 1UXG NAD 0.0007732 0.40457 19.4175
402 2FYU FDN 0.0008434 0.42748 20.9677
403 1ECM TSA 0.0006573 0.46182 21.1009
404 1LSS NAD 0.0004201 0.42973 22.1429
405 3KMZ EQO 0.0001488 0.42853 31.5789
Pocket No.: 2; Query (leader) PDB : 2XCG; Ligand: XCG; 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: 2xcg.bio2) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2XCG; Ligand: XCG; Similar sites found: 24
This union binding pocket(no: 3) in the query (biounit: 2xcg.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5MRH Q9Z 0.02219 0.41348 1.53846
2 4WCX MET 0.02213 0.40395 1.66667
3 4CJN QNZ 0.04136 0.40439 1.73077
4 4BPZ GLC BGC BGC 0.02106 0.41467 1.95312
5 4HBM 0Y7 0.02066 0.40057 2.5
6 5JDA AMP 0.03239 0.4144 2.78552
7 4XNV BUR 0.04787 0.40731 2.85036
8 5CJF 520 0.005761 0.43488 2.86738
9 5TVA AMP 0.004461 0.44036 2.91667
10 5LUN OGA 0.008451 0.43084 3.40909
11 5V4R MGT 0.03656 0.41367 3.7037
12 4RQL SNE 0.03361 0.40403 3.78151
13 5HCN DAO 0.03457 0.40733 4.21456
14 5FUI APY 0.00004661 0.55077 4.54545
15 4UCC ZKW 0.02828 0.41496 6.00858
16 3SQP 3J8 0.01427 0.43328 6.90377
17 5HDA SER MET PRO GLU LEU SER PRO VAL LEU 0.0389 0.40583 7.25806
18 4V2O CLQ 0.02469 0.41106 7.31707
19 5F6U 5VK 0.01877 0.41191 8.28025
20 5JSQ 6MS 0.01903 0.40918 8.33333
21 2XG5 EC2 0.01113 0.42657 10.4046
22 4XMF HSM 0.004663 0.4615 11.9565
23 4ZU4 4TG 0.01128 0.41303 13.5135
24 5TVF CGQ 0.0173 0.41912 16.6154
Pocket No.: 4; Query (leader) PDB : 2XCG; Ligand: XCG; 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: 2xcg.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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