Receptor
PDB id Resolution Class Description Source Keywords
1JQ3 1.8 Å EC: 2.5.1.16 CRYSTAL STRUCTURE OF SPERMIDINE SYNTHASE IN COMPLEX WITH TRANSITION STATE ANALOGUE ADODATO THERMOTOGA MARITIMA AMINOPROPYLTRANSFERASE HOMO-TETRAMER THERMOPHYLE TRANSITION-STATE ANALOGUE BETA-BARREL STRUCTURAL GENOMICSPSI PROTEIN STRUCTURE INITIATIVE MIDWEST CENTER FOR STRUCTURAL GENOMICS MCSG
Ref.: THE CRYSTAL STRUCTURE OF SPERMIDINE SYNTHASE WITH A MULTISUBSTRATE ADDUCT INHIBITOR. NAT.STRUCT.BIOL. V. 9 27 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AAT A:800;
C:801;
D:802;
Valid;
Valid;
Valid;
none;
none;
none;
ic50 = 0.2 uM
423.533 C18 H29 N7 O3 S c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JQ3 1.8 Å EC: 2.5.1.16 CRYSTAL STRUCTURE OF SPERMIDINE SYNTHASE IN COMPLEX WITH TRANSITION STATE ANALOGUE ADODATO THERMOTOGA MARITIMA AMINOPROPYLTRANSFERASE HOMO-TETRAMER THERMOPHYLE TRANSITION-STATE ANALOGUE BETA-BARREL STRUCTURAL GENOMICSPSI PROTEIN STRUCTURE INITIATIVE MIDWEST CENTER FOR STRUCTURAL GENOMICS MCSG
Ref.: THE CRYSTAL STRUCTURE OF SPERMIDINE SYNTHASE WITH A MULTISUBSTRATE ADDUCT INHIBITOR. NAT.STRUCT.BIOL. V. 9 27 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1JQ3 ic50 = 0.2 uM AAT C18 H29 N7 O3 S c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1JQ3 ic50 = 0.2 uM AAT C18 H29 N7 O3 S c1nc(c2c(n....
50% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2PWP - SPD C7 H19 N3 C(CCNCCCN)....
2 2I7C ic50 = 8.5 uM AAT C18 H29 N7 O3 S c1nc(c2c(n....
3 2HTE - MTA C11 H15 N5 O3 S CSC[C@@H]1....
4 4YUX Kd = 180 uM 4JT C8 H8 N2 S c1ccc2c(c1....
5 4YV2 - S4M C14 H24 N6 O3 S C[S@@H](CC....
6 4YV1 ic50 = 830 uM 4K2 C15 H16 N2 O2 c1cc2cccnc....
7 5B1S ic50 = 124 uM BSX C8 H10 F N c1ccc(c(c1....
8 4YUZ ic50 = 9.1 uM 4JV C16 H16 N4 O Cc1ccc(cc1....
9 4YUV - S4M C14 H24 N6 O3 S C[S@@H](CC....
10 4YUW ic50 = 1.7 uM 4JU C7 H15 N CC1CCC(CC1....
11 4YV0 ic50 = 530 uM 4JW C16 H15 N O3 CN(c1ccccc....
12 4YUY ic50 = 460 uM 1SQ C9 H8 N2 c1ccc2c(c1....
13 2O05 - MTA C11 H15 N5 O3 S CSC[C@@H]1....
14 3RW9 ic50 = 5 uM DSH C13 H20 N6 O3 S c1nc(c2c(n....
15 2O0L - S4M C14 H24 N6 O3 S C[S@@H](CC....
16 2O07 - SPD C7 H19 N3 C(CCNCCCN)....
17 2O06 - MTA C11 H15 N5 O3 S CSC[C@@H]1....
18 2PT6 - S4M C14 H24 N6 O3 S C[S@@H](CC....
19 2PT9 ic50 = 35 uM 2MH C7 H15 N CC1CCC(CC1....
20 1JQ3 ic50 = 0.2 uM AAT C18 H29 N7 O3 S c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AAT; Similar ligands found: 165
No: Ligand ECFP6 Tc MDL keys Tc
1 AAT 1 1
2 DSH 0.634146 0.943662
3 DTA 0.607595 0.810811
4 MTA 0.6 0.797297
5 3DH 0.585366 0.797297
6 5N5 0.564103 0.84507
7 ADN 0.558442 0.819444
8 XYA 0.558442 0.819444
9 RAB 0.558442 0.819444
10 A7D 0.544444 0.875
11 A4D 0.5375 0.84507
12 5CD 0.5375 0.805556
13 5X8 0.532609 0.835616
14 S4M 0.52809 0.858974
15 A5D 0.521277 0.810811
16 EP4 0.518072 0.776316
17 SAH 0.515789 0.863014
18 M2T 0.511905 0.75641
19 J7C 0.5 0.84
20 AMP 0.5 0.725
21 A 0.5 0.725
22 SON 0.494624 0.722892
23 GJV 0.494505 0.842105
24 6RE 0.494382 0.828947
25 ADX 0.489362 0.662921
26 AOC 0.488889 0.797297
27 A2D 0.483516 0.707317
28 ZAS 0.483146 0.789474
29 SRA 0.477778 0.731707
30 5AD 0.475 0.746479
31 CA0 0.473684 0.690476
32 MHZ 0.473684 0.825
33 MAO 0.473118 0.759036
34 BA3 0.473118 0.707317
35 AMP MG 0.472527 0.707317
36 ADP 0.468085 0.707317
37 5AS 0.468085 0.681319
38 B4P 0.468085 0.707317
39 AP5 0.468085 0.707317
40 A3N 0.467391 0.835616
41 ABM 0.467391 0.707317
42 S8M 0.466019 0.828947
43 TAT 0.464646 0.722892
44 AR6 0.463918 0.707317
45 APR 0.463918 0.707317
46 AN2 0.463158 0.698795
47 WAQ 0.462264 0.768293
48 LAD 0.462264 0.792683
49 EEM 0.46 0.775
50 SA8 0.459184 0.818182
51 M33 0.458333 0.698795
52 SXZ 0.457944 0.820513
53 1ZZ 0.457944 0.712644
54 AP2 0.457447 0.722892
55 A12 0.457447 0.722892
56 XAH 0.454545 0.77381
57 SAI 0.454545 0.826667
58 G5A 0.454545 0.7
59 SFG 0.453608 0.847222
60 50T 0.453608 0.698795
61 ATP 0.453608 0.707317
62 ACP 0.453608 0.710843
63 A6D 0.45283 0.722892
64 ACQ 0.45 0.710843
65 5FA 0.44898 0.707317
66 AQP 0.44898 0.707317
67 PRX 0.44898 0.731707
68 KAA 0.448598 0.733333
69 5AL 0.445545 0.698795
70 ADV 0.444444 0.722892
71 SAP 0.444444 0.714286
72 RBY 0.444444 0.722892
73 AGS 0.444444 0.714286
74 AD9 0.444444 0.690476
75 ADP MG 0.443299 0.698795
76 AU1 0.443299 0.690476
77 7MD 0.442478 0.77381
78 A3G 0.44086 0.849315
79 MYR AMP 0.440367 0.712644
80 BEF ADP 0.438776 0.682353
81 ADP BEF 0.438776 0.682353
82 8QN 0.438095 0.698795
83 5SV 0.438095 0.738095
84 25A 0.438095 0.707317
85 SRP 0.436893 0.743902
86 SMM 0.436893 0.768293
87 SAM 0.435644 0.797468
88 ANP 0.435644 0.690476
89 GAP 0.435644 0.731707
90 Y3J 0.435294 0.726027
91 APC 0.434343 0.722892
92 7D7 0.433735 0.767123
93 ADP PO3 0.43 0.725
94 AHX 0.429907 0.717647
95 DLL 0.429907 0.698795
96 A22 0.428571 0.698795
97 A5A 0.427184 0.648352
98 ATF 0.427184 0.682353
99 ALF ADP 0.427184 0.674419
100 ADP ALF 0.427184 0.674419
101 A3P 0.427083 0.703704
102 K15 0.425926 0.833333
103 OAD 0.425926 0.690476
104 3UK 0.425926 0.690476
105 ATP MG 0.425743 0.698795
106 NEC 0.425532 0.77027
107 4UV 0.424779 0.714286
108 OOB 0.424528 0.698795
109 3AM 0.423913 0.7125
110 S7M 0.423077 0.797468
111 SSA 0.423077 0.681319
112 LAQ 0.422414 0.752941
113 GSU 0.422018 0.681319
114 4AD 0.420561 0.714286
115 AMO 0.420561 0.722892
116 PAJ 0.420561 0.670455
117 VMS 0.419048 0.634409
118 54H 0.419048 0.634409
119 52H 0.419048 0.62766
120 3OD 0.418182 0.690476
121 TXA 0.418182 0.682353
122 ME8 0.418182 0.712644
123 4UU 0.417391 0.714286
124 00A 0.416667 0.666667
125 62X 0.416667 0.8125
126 DAL AMP 0.415094 0.698795
127 TSB 0.415094 0.641304
128 5CA 0.415094 0.681319
129 53H 0.415094 0.62766
130 3AD 0.413793 0.830986
131 2AM 0.413043 0.703704
132 OMR 0.411765 0.704545
133 GEK 0.411215 0.828947
134 VO4 ADP 0.409524 0.698795
135 ADP VO4 0.409524 0.698795
136 ANP MG 0.409524 0.674419
137 PR8 0.409091 0.804878
138 7C5 0.408696 0.707317
139 7MC 0.408333 0.755814
140 LSS 0.407407 0.648936
141 DSZ 0.407407 0.663043
142 ADQ 0.407407 0.710843
143 NSS 0.407407 0.663043
144 A1R 0.407407 0.790123
145 0UM 0.407407 0.88
146 FA5 0.40708 0.722892
147 YAP 0.40708 0.714286
148 LPA AMP 0.40678 0.752941
149 FYA 0.405405 0.7625
150 BIS 0.405405 0.705882
151 PTJ 0.405405 0.659091
152 NB8 0.405405 0.697674
153 A3S 0.40404 0.835616
154 PPS 0.403846 0.644444
155 NVA LMS 0.40367 0.648936
156 TYR AMP 0.403509 0.702381
157 4UW 0.403361 0.689655
158 7D5 0.402174 0.695122
159 MAP 0.401869 0.674419
160 KB1 0.401786 0.807692
161 25L 0.401786 0.698795
162 TAD 0.401709 0.729412
163 LEU LMS 0.4 0.631579
164 649 0.4 0.706522
165 OVE 0.4 0.719512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JQ3; Ligand: AAT; Similar sites found: 475
This union binding pocket(no: 1) in the query (biounit: 1jq3.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2WSB NAD 0.001865 0.41449 None
2 4DMG SAM 0.0001187 0.5226 1.35135
3 3TLJ SAH 0.000101 0.42071 1.35135
4 3HVJ 705 0.000249 0.44356 1.35747
5 3U31 NAD 0.001959 0.43392 1.37931
6 5JCM NAD 0.001367 0.43853 1.68919
7 5JCM FAD 0.001312 0.43853 1.68919
8 5JCM ISD 0.001367 0.43853 1.68919
9 2Q1S NAI 0.0009598 0.42848 1.68919
10 2QA1 FAD 0.0005644 0.4279 1.68919
11 2VVM FAD 0.001252 0.42097 1.68919
12 1Z3C SA8 0.0004049 0.42092 1.68919
13 2VVL FAD 0.001548 0.41858 1.68919
14 3GMB FAD 0.00236 0.40388 1.68919
15 4BLW AMP 0.0003568 0.43387 1.7301
16 4BLW SAH 0.0004461 0.41245 1.7301
17 4RDH AMP 0.0003462 0.4888 1.73611
18 4D79 ATP 0.0005967 0.46839 1.81159
19 1S7G APR 0.001998 0.40527 1.97628
20 2EWM NAD 0.0009914 0.41164 2.00803
21 3G5S FAD 0.0002104 0.44628 2.02703
22 3CGD NAD 0.001983 0.43903 2.02703
23 3CGD COA 0.001983 0.43903 2.02703
24 3CGD FAD 0.001983 0.43903 2.02703
25 3CGB FAD 0.0003429 0.43842 2.02703
26 4JDR FAD 0.0005263 0.43619 2.02703
27 1U1I NAD 0.0003701 0.43329 2.02703
28 3L9W AMP 0.0002219 0.43171 2.02703
29 3L9W GSH 0.0001422 0.43159 2.02703
30 1RYI FAD 0.001203 0.42269 2.02703
31 3WGT FAD 0.003981 0.40868 2.02703
32 3WGT QSC 0.004238 0.40849 2.02703
33 3FG2 FAD 0.002273 0.40324 2.02703
34 4YAG NAI 0.001592 0.41915 2.07612
35 3JQ7 NAP 0.004708 0.40348 2.08333
36 3QWI NAP 0.001743 0.40521 2.22222
37 3QWI CUE 0.003826 0.40379 2.22222
38 2VZ0 D64 0.01185 0.4067 2.23881
39 2VZ0 NAP 0.01185 0.4067 2.23881
40 2GDZ NAD 0.001511 0.4021 2.24719
41 4XUC SAM 0.0003516 0.43411 2.29358
42 4XUC 43G 0.0003516 0.43411 2.29358
43 1Q0S SAH 0.00008676 0.42544 2.3166
44 4BV6 FAD 0.0004225 0.43978 2.36486
45 1YKJ FAD 0.002332 0.42787 2.36486
46 3NTD FAD 0.0007736 0.42653 2.36486
47 1RM0 D6P 0.001717 0.4236 2.36486
48 1RM0 NAI 0.001491 0.42319 2.36486
49 3NTA FAD 0.001001 0.42236 2.36486
50 1PS9 FAD 0.001589 0.41815 2.36486
51 4C3Y FAD 0.001649 0.41754 2.36486
52 4C3Y ANB 0.002388 0.41631 2.36486
53 1MUU NAD 0.0003199 0.41561 2.36486
54 3NT6 FAD 0.001544 0.41537 2.36486
55 4IV9 FAD 0.002211 0.41172 2.36486
56 1MV8 NAD 0.0004141 0.41126 2.36486
57 4NTC FAD 0.003105 0.4072 2.36486
58 4RPL 3UC 0.009384 0.40629 2.36486
59 4RPL FAD 0.00847 0.40621 2.36486
60 5LUN ARG 0.04064 0.40299 2.36486
61 3VC1 SAH 0.003848 0.40269 2.36486
62 3VC1 GST 0.003848 0.40269 2.36486
63 4UP4 GAL NAG 0.03237 0.40181 2.36486
64 3GRU AMP 0.00009541 0.42352 2.37288
65 5EOW FAD 0.002787 0.40124 2.46914
66 1I9G SAM 0.00003308 0.4244 2.5
67 4FZV SAM 0.000004292 0.45224 2.51046
68 5N5D SAM 0.0001072 0.40433 2.65487
69 5BUK FAD 0.00008563 0.46937 2.7027
70 5DX8 SFG 0.0002479 0.46861 2.7027
71 5DXA SFG 0.0002501 0.46844 2.7027
72 1DL5 SAH 0.00001313 0.45849 2.7027
73 3T31 DCQ 0.000935 0.4398 2.7027
74 3T31 FAD 0.0008488 0.4398 2.7027
75 2ZXI FAD 0.0004005 0.43593 2.7027
76 4X9M FAD 0.0005487 0.4344 2.7027
77 4FWE FAD 0.0007274 0.43304 2.7027
78 4D04 NAP 0.001794 0.43241 2.7027
79 4M52 FAD 0.0007159 0.43225 2.7027
80 2YG3 FAD 0.000636 0.43199 2.7027
81 4EMI NAD 0.00214 0.42792 2.7027
82 4EMI FAD 0.0007827 0.42634 2.7027
83 5DX0 SFG 0.0001044 0.42546 2.7027
84 1MO9 FAD 0.004664 0.42439 2.7027
85 1MO9 KPC 0.005391 0.42235 2.7027
86 5DWQ SFG 0.00009243 0.42213 2.7027
87 2GMH FAD 0.001404 0.42017 2.7027
88 3S5W FAD 0.0005945 0.41781 2.7027
89 5DX1 SFG 0.0001799 0.41678 2.7027
90 3IHG FAD 0.0004453 0.41667 2.7027
91 5E72 SAM 0.0001649 0.41233 2.7027
92 1GZ6 NAI 0.001787 0.41202 2.7027
93 1DLJ NAI 0.003919 0.41064 2.7027
94 3OJO NAD 0.0001883 0.40938 2.7027
95 1OC2 NAD 0.005481 0.40888 2.7027
96 5UDS ATP 0.01588 0.42046 2.7972
97 5DQY BEZ 0.008771 0.44606 2.85714
98 3GDH SAH 0.00001832 0.51175 2.90456
99 4X5S AZM 0.04954 0.40077 3.01724
100 4REP FAD 0.0007572 0.42803 3.0303
101 2V6O FAD 0.0005428 0.45944 3.04054
102 1XHC FAD 0.0001325 0.45237 3.04054
103 2RAB NAD 0.001295 0.44016 3.04054
104 2RAB FAD 0.0005029 0.44016 3.04054
105 1D4D FAD 0.0005213 0.43852 3.04054
106 4OPC PGT 0.004554 0.43498 3.04054
107 4OPC FDA 0.004018 0.43414 3.04054
108 4NTD FAD 0.0005063 0.43337 3.04054
109 4PIO SAH 0.0004278 0.43099 3.04054
110 4PIO AVI 0.0004448 0.42901 3.04054
111 4EUE NAI 0.00101 0.41331 3.04054
112 2RGJ FAD 0.001324 0.41178 3.04054
113 5I39 FAD 0.0005938 0.405 3.04054
114 2JB2 FAD 0.002439 0.40906 3.06748
115 2JB2 PHE 0.002602 0.40906 3.06748
116 4R6W PC 0.002529 0.41966 3.10078
117 4R6W SAH 0.0009058 0.41465 3.10078
118 1PR9 NAP 0.0008896 0.41806 3.27869
119 3D3W NAP 0.001125 0.41436 3.27869
120 2DT5 NAD 0.0001691 0.43267 3.31754
121 5E1M PRO PRO LYS ARG ILE ALA 0.001837 0.40786 3.3195
122 5E1M SAH 0.001837 0.40786 3.3195
123 5CUQ NSC 0.001068 0.41206 3.37079
124 5X62 SAH 0.0003777 0.48211 3.37838
125 3AB1 FAD 0.000128 0.45807 3.37838
126 1REO FAD 0.0001728 0.45197 3.37838
127 2Q7V FAD 0.0003835 0.44137 3.37838
128 2AQJ FAD 0.001208 0.437 3.37838
129 2AQJ TRP 0.001154 0.437 3.37838
130 1FEC FAD 0.0007467 0.43562 3.37838
131 2WET FAD 0.0005578 0.43525 3.37838
132 2IVD FAD 0.0003909 0.43505 3.37838
133 5G3U FDA 0.0008868 0.42432 3.37838
134 2XVE FAD 0.003247 0.42075 3.37838
135 5MQ6 NDP 0.003494 0.41996 3.37838
136 2YVF FAD 0.005191 0.41268 3.37838
137 2YVF NAD 0.005402 0.41268 3.37838
138 5G3U ITW 0.00271 0.41236 3.37838
139 3HDY GDU 0.006057 0.41137 3.37838
140 3HDY FDA 0.005827 0.41137 3.37838
141 1I8T FAD 0.002264 0.41027 3.37838
142 3HDY FAD 0.00688 0.4085 3.37838
143 3GF4 FAD 0.007948 0.40182 3.37838
144 5TE1 7A2 0.04325 0.40154 3.37838
145 3GF4 UPG 0.00974 0.40048 3.37838
146 4NEC SAH 0.0008429 0.47039 3.40909
147 2A8X FAD 0.002247 0.41448 3.44828
148 5UAO FAD 0.003924 0.4003 3.51201
149 2HQM FAD 0.0003413 0.44439 3.54906
150 3WV8 ATP 0.0001573 0.40087 3.66972
151 3G2O SAM 0.00009367 0.50514 3.67893
152 1G55 SAH 0.0006326 0.46301 3.71622
153 1ZMD FAD 0.0002056 0.45382 3.71622
154 5JE8 NAD 0.0004574 0.45015 3.71622
155 4JNA FAD 0.0003578 0.44361 3.71622
156 2CDU FAD 0.000231 0.44348 3.71622
157 1LVL FAD 0.0007162 0.4333 3.71622
158 5GM1 SAH 0.003273 0.42116 3.71622
159 2V3A FAD 0.001089 0.42101 3.71622
160 1GR0 NAD 0.0008803 0.41954 3.71622
161 2V3B FAD 0.001117 0.41944 3.71622
162 1LVL NAD 0.00004454 0.41914 3.71622
163 4BJZ P3A 0.006991 0.41324 3.71622
164 3A25 SAM 0.00004094 0.41164 3.71622
165 4J36 FAD 0.001356 0.41139 3.71622
166 5EZ7 FAD 0.002202 0.41072 3.71622
167 4J36 1HR 0.002987 0.4098 3.71622
168 1NW5 SAM 0.00006305 0.40927 3.71622
169 1ZBQ NAD 0.001673 0.40563 3.71622
170 1VQW FAD 0.002362 0.40262 3.71622
171 2PZM NAD 0.004632 0.40257 3.71622
172 2PZM UDP 0.004632 0.40257 3.71622
173 2GVC FAD 0.00276 0.40016 3.71622
174 5IL1 SAM 0.003783 0.43171 3.77358
175 2DTX BMA 0.003824 0.40177 3.78788
176 5MGZ SAH 0.000463 0.46908 3.81356
177 5AOA PPI 0.009498 0.41344 3.84615
178 4J4H NAI 0.03583 0.40821 3.861
179 5ITV NAI 0.0005686 0.42006 3.92157
180 5O4J PJL 0.0003917 0.43102 4.0146
181 5O4J SAH 0.0004539 0.43005 4.0146
182 5O4J 9KH 0.0004539 0.43005 4.0146
183 5OFW 9TW 0.01067 0.43691 4.03587
184 3NUG NAD 0.001534 0.40386 4.04858
185 3E1T FAD 0.00004166 0.48006 4.05405
186 4C4A SAH 0.000007393 0.4384 4.05405
187 1QO8 FAD 0.0005702 0.43598 4.05405
188 1GTE FAD 0.001369 0.43561 4.05405
189 2Q0L FAD 0.001261 0.42193 4.05405
190 1VDC FAD 0.002219 0.41843 4.05405
191 5JAQ NAI 0.00223 0.41051 4.05405
192 5Y3N 8MF 0.02783 0.40791 4.05405
193 5TUK FAD 0.003935 0.40656 4.05405
194 1R6D NAD 0.006394 0.40477 4.05405
195 4DSG FAD 0.008898 0.40471 4.05405
196 1R6D DAU 0.006875 0.40277 4.05405
197 4DSG UDP 0.01063 0.40033 4.05405
198 4ITU 1HS 0.002419 0.41229 4.08922
199 4ITU NAI 0.00133 0.41171 4.08922
200 1VKO NAD 0.001558 0.40648 4.09683
201 1LSS NAD 0.00001566 0.43485 4.28571
202 1ZK7 FAD 0.0002822 0.45075 4.39189
203 2C7G FAD 0.000718 0.44347 4.39189
204 5F8F SFG 0.003437 0.44129 4.39189
205 3LXD FAD 0.0004624 0.43108 4.39189
206 2C7G ODP 0.00159 0.42915 4.39189
207 1Y8Q ATP 0.00006602 0.42789 4.39189
208 3ITJ FAD 0.002325 0.41854 4.39189
209 3GDN HBX 0.002832 0.41693 4.39189
210 3GDN FAD 0.001822 0.41693 4.39189
211 2ZIF SAM 0.00004273 0.41512 4.39189
212 4TQG NDP 0.0009493 0.40741 4.39189
213 3PT9 SAH 0.00006028 0.40692 4.39189
214 5JE0 SAH 0.001142 0.40847 4.45344
215 5JE0 AZ8 0.001142 0.40847 4.45344
216 5DM1 SAH 0.0007348 0.40314 4.49438
217 3UCL NAP 0.002586 0.42944 4.53752
218 3UCL FAD 0.002481 0.42818 4.53752
219 3UCL CYH 0.002481 0.42818 4.53752
220 2OHV NHL 0.03886 0.40402 4.54545
221 5MUA GAL 0.04438 0.40095 4.54545
222 1RP0 AHZ 0.0001094 0.44788 4.57746
223 1NV8 SAM 0.00006074 0.44762 4.57746
224 1NV8 MEQ 0.00004816 0.44762 4.57746
225 5N53 8NB 0.001085 0.49253 4.61538
226 4C1M NIH 0.02334 0.42046 4.62963
227 3OID NDP 0.002324 0.40288 4.65116
228 5FA5 MTA 0.000004541 0.57844 4.72973
229 2JJQ SAH 0.00008422 0.52387 4.72973
230 4GQB 0XU 0.0000139 0.44863 4.72973
231 1COY FAD 0.00028 0.4465 4.72973
232 4CNK FAD 0.0002302 0.44609 4.72973
233 3VYW SAM 0.00001656 0.43871 4.72973
234 4AP3 NAP 0.001712 0.43176 4.72973
235 1COY AND 0.001737 0.42924 4.72973
236 2NVK FAD 0.0009254 0.42698 4.72973
237 3UOY NAP 0.003122 0.42551 4.72973
238 3F8D FAD 0.003846 0.42374 4.72973
239 4X60 SFG 0.0001453 0.42044 4.72973
240 1UXG NAD 0.001486 0.41599 4.72973
241 4UP3 FAD 0.001735 0.41567 4.72973
242 4X60 3XV 0.0001658 0.41446 4.72973
243 1KOL NAD 0.001817 0.41045 4.72973
244 1T9D P25 0.01107 0.40949 4.72973
245 5BW4 SAM 0.00003508 0.40945 4.72973
246 4RSL FAD 0.000744 0.40941 4.72973
247 1T9D FAD 0.003342 0.40499 4.72973
248 4YCA NDP 0.003648 0.41053 4.7619
249 1WG8 SAM 0.0001149 0.42292 4.91228
250 5IDB MAN 0.02671 0.41281 4.92958
251 5IDB BMA 0.02671 0.41281 4.92958
252 3WDM ADN 0.00236 0.40502 4.98084
253 3FZG SAM 0.004321 0.43655 5
254 2WPF FAD 0.0008982 0.46041 5.06757
255 2WPF WPF 0.001166 0.45719 5.06757
256 1BZL FAD 0.001686 0.44948 5.06757
257 3SQP FAD 0.005056 0.4476 5.06757
258 5J60 FAD 0.0002751 0.44562 5.06757
259 5JCA FAD 0.0003643 0.44332 5.06757
260 5JCA NDP 0.0009808 0.44209 5.06757
261 4USQ FAD 0.0002151 0.4419 5.06757
262 3LAD FAD 0.000575 0.43584 5.06757
263 3AYI HCI 0.001118 0.4343 5.06757
264 3AYI FAD 0.001063 0.4343 5.06757
265 2E5V FAD 0.0009951 0.42789 5.06757
266 5BVA FAD 0.00005614 0.41675 5.06757
267 2NPX NAD 0.005301 0.41091 5.06757
268 2NPX FAD 0.001963 0.41037 5.06757
269 2Q1W NAD 0.001509 0.40698 5.06757
270 2CUL FAD 0.000688 0.42475 5.17241
271 1UGW GAL 0.01432 0.42111 5.26316
272 2DPM SAM 0.0002327 0.40553 5.28169
273 4G74 FAD 0.00185 0.41016 5.37849
274 4G74 UQ5 0.003896 0.40904 5.37849
275 1UWK NAD 0.00004665 0.48054 5.40541
276 1UWK URO 0.00004665 0.48054 5.40541
277 2RGO FAD 0.0001373 0.45314 5.40541
278 5U8U FAD 0.001112 0.4421 5.40541
279 1YQZ FAD 0.0009951 0.44031 5.40541
280 4HA6 FAD 0.0007901 0.43168 5.40541
281 5FJN FAD 0.001125 0.42484 5.40541
282 5FJN BE2 0.001349 0.42484 5.40541
283 2RGH FAD 0.00108 0.42338 5.40541
284 4M37 SAH 0.00003368 0.42248 5.40541
285 4M38 SAH 0.00004637 0.42213 5.40541
286 2PWY SAH 0.0001022 0.41755 5.40541
287 1F3L SAH 0.0001033 0.41052 5.40541
288 1CER NAD 0.004 0.40893 5.40541
289 1TDF FAD 0.004136 0.40717 5.40541
290 1TDF NAP 0.009988 0.40697 5.40541
291 3OFK SAH 0.0007293 0.45243 5.55556
292 5JJR SAH 0.0004824 0.47261 5.74324
293 1GET NAP 0.00139 0.44028 5.74324
294 1GET FAD 0.001291 0.44021 5.74324
295 1NAA 6FA 0.000615 0.4358 5.74324
296 1NAA ABL 0.001047 0.4354 5.74324
297 3CTY FAD 0.001123 0.4269 5.74324
298 2DKH FAD 0.0009203 0.41752 5.74324
299 2DKH 3HB 0.001588 0.41603 5.74324
300 5MW4 5JU 0.003157 0.40592 5.74324
301 4K28 NAD 0.003354 0.41479 5.94796
302 1JNR FAD 0.002317 0.43449 6
303 1V59 FAD 0.0001257 0.46413 6.06695
304 1V59 NAD 0.000006475 0.40767 6.06695
305 3DMH SAM 0.0000404 0.51145 6.08108
306 3DMH GMP 0.00005408 0.48004 6.08108
307 1RSG FAD 0.0003605 0.44349 6.08108
308 1YY5 FAD 0.0005609 0.43836 6.08108
309 3X0D SAH 0.00001617 0.43013 6.08108
310 3OZ2 FAD 0.001316 0.42016 6.08108
311 1FL2 FAD 0.001259 0.41979 6.08108
312 1UP7 NAD 0.0002022 0.41779 6.08108
313 2X3N FAD 0.00229 0.40789 6.08108
314 5TTJ FAD 0.0005412 0.40368 6.08108
315 4EIP FAD 0.005418 0.40091 6.08108
316 4WNP 3RJ 0.02569 0.40268 6.27178
317 5ULP KB1 0.000129 0.47653 6.34328
318 3FPF MTA 0.00006434 0.46798 6.41892
319 4M73 M72 0.0001173 0.45566 6.41892
320 1N4W FAD 0.0003035 0.44741 6.41892
321 4M73 SAH 0.0002737 0.44076 6.41892
322 2D24 XYS XYS 0.00592 0.43851 6.41892
323 3FPF TNA 0.00006434 0.43333 6.41892
324 4TM3 FAD 0.005341 0.41676 6.41892
325 1NVM NAD 0.001727 0.40757 6.41892
326 3OND ADN 0.006489 0.40052 6.41892
327 3OND NAD 0.006489 0.40052 6.41892
328 3OU2 SAH 0.00308 0.41631 6.42202
329 2YVJ FAD 0.002285 0.40792 6.42202
330 3BGD PM6 0.0003532 0.41674 6.53846
331 3BGD SAH 0.000266 0.40525 6.53846
332 4EMJ FAD 0.001204 0.42051 6.54206
333 4CME NAP 0.002421 0.4122 6.59722
334 4CLO NAP 0.003708 0.40758 6.59722
335 5JDC NAP 0.004131 0.40318 6.59722
336 5JCJ NAP 0.004249 0.4027 6.59722
337 4CM8 NAP 0.004467 0.40186 6.59722
338 4CMI NAP 0.00456 0.40151 6.59722
339 4CM4 NAP 0.004607 0.40134 6.59722
340 4QTU SAM 0.0001147 0.40237 6.66667
341 3KLJ FAD 0.0002569 0.43768 6.75676
342 4K5S FAD 0.0007454 0.42085 6.75676
343 4K5S PM0 0.002048 0.42066 6.75676
344 5TS5 FAD 0.0002035 0.40956 6.75676
345 5DN9 NAD 0.001825 0.40671 6.75676
346 4KGD FAD 0.01206 0.40307 6.75676
347 4D00 SIA GAL NAG 0.04363 0.40134 6.75676
348 4KGD TDP 0.01312 0.40101 6.75676
349 3GEG NAD 0.000203 0.42571 6.88259
350 4CQM NAP 0.001771 0.40023 6.89655
351 1I1N SAH 0.00006815 0.44125 7.07965
352 3NYC FAD 0.0009481 0.43534 7.09459
353 1Q1R FAD 0.0006613 0.42786 7.09459
354 3AXB FAD 0.000753 0.42578 7.09459
355 3AXB PRO 0.001063 0.42578 7.09459
356 3QVP FAD 0.001201 0.42479 7.09459
357 5KOK SAH 0.004633 0.42424 7.09459
358 1JQD HSM 0.001826 0.42261 7.19178
359 1JQD SAH 0.001637 0.41608 7.19178
360 1XCL SAH 0.00003636 0.46529 7.23404
361 1ZEM NAD 0.0004013 0.41417 7.25191
362 1G8K MGD 0.0114 0.40347 7.43243
363 5LOL GSH 0.04169 0.41028 7.44186
364 5KVA SAM 0.0002505 0.40532 7.55396
365 1U7T TDT 0.004107 0.40263 7.66284
366 1H82 GZZ 0.0004718 0.45469 7.77027
367 1H82 FAD 0.000719 0.44427 7.77027
368 2Y6Q I7T 0.002611 0.41482 7.77027
369 2Y6Q FAD 0.0009301 0.41431 7.77027
370 5T67 JHZ 0.002573 0.41415 7.77027
371 5T67 SAH 0.002582 0.40919 7.77027
372 1L3I SAH 0.00003112 0.44647 7.8125
373 5DLY SAH 0.0002108 0.42355 7.89474
374 5DLY 5D7 0.0002568 0.41337 7.89474
375 3ICS FAD 0.0004469 0.43538 7.9932
376 3ICR FAD 0.0004352 0.43459 7.9932
377 3ICT FAD 0.0008883 0.42312 7.9932
378 1ZQ9 SAM 0.00002212 0.42436 8.07018
379 3LST SAH 0.004317 0.44061 8.10811
380 5LD5 NAD 0.002888 0.42346 8.10811
381 2EJU SAH 0.000043 0.41311 8.10811
382 4AZ3 S35 0.0118 0.40022 8.10811
383 3FUU ADN 0.00001463 0.43298 8.11808
384 1E6E FAD 0.0005412 0.42984 8.44595
385 1E1M FAD 0.001616 0.42806 8.44595
386 1E1M NAP 0.001616 0.42806 8.44595
387 3A27 SAM 0.00001733 0.41778 8.45588
388 2VDV SAM 0.00005604 0.53248 8.53659
389 1P1C SAH 0.00003442 0.43514 8.54271
390 1X87 NAD 0.000006087 0.46022 8.78378
391 2GAG NAD 0.0003451 0.43832 8.78378
392 4Y2H 49K 0.000532 0.43375 8.78378
393 4Y2H SAH 0.0006684 0.43005 8.78378
394 4YNU FAD 0.001322 0.42421 8.78378
395 2GAG FAD 0.001467 0.42346 8.78378
396 4YNU LGC 0.002048 0.42066 8.78378
397 2GAG FOA 0.001781 0.42024 8.78378
398 2R4J 13P 0.000451 0.44875 9.12162
399 2R4J FAD 0.000451 0.44875 9.12162
400 2F5Z FAD 0.0002056 0.45381 9.375
401 4YSX FAD 0.001084 0.42332 9.45946
402 1ELI PYC 0.001162 0.41996 9.45946
403 4N49 SAM 0.00007878 0.41455 9.45946
404 3NJ4 NAD 0.02938 0.40338 9.45946
405 1R18 SAH 0.0000327 0.42971 9.69163
406 2HMT NAI 0.00004847 0.42666 9.72222
407 3GD4 NAD 0.001812 0.43883 9.7973
408 3GD4 FAD 0.001037 0.43883 9.7973
409 3NDJ JHZ 0.001392 0.42528 9.7973
410 3NDJ SAH 0.001392 0.42528 9.7973
411 4MIG G3F 0.002586 0.41676 9.7973
412 1LTH NAD 0.001127 0.40124 9.7973
413 2H88 TEO 0.005611 0.43505 10
414 1EJ0 SAM 0.00006143 0.40734 10
415 2GN4 NDP 0.01451 0.41195 10.1351
416 2GN4 UD1 0.02218 0.40531 10.1351
417 3MB5 SAM 0.0003575 0.40355 10.1961
418 5HJM MTA 0.0001134 0.49645 10.473
419 2YGM GLA NAG GAL FUC 0.03864 0.40415 10.473
420 2XVF FAD 0.001211 0.41814 10.8108
421 1PN0 IPH 0.002399 0.41802 10.8108
422 1PN0 FAD 0.002275 0.41802 10.8108
423 5EB4 FAD 0.001783 0.41522 10.8108
424 4D7E FAD 0.00341 0.40036 10.8108
425 4II2 ATP 0.0001103 0.40929 10.8434
426 1G0N PHH 0.002877 0.40845 10.9541
427 1G0N NDP 0.002442 0.40797 10.9541
428 5THY SAH 0.0008261 0.45387 11.1486
429 3SSO SAH 0.001745 0.41558 11.1486
430 1N2X SAM 0.0001391 0.41959 11.4865
431 5VN0 NAI 0.003633 0.4106 11.4865
432 5VN0 FAD 0.0005302 0.40634 11.4865
433 5MPT SAH 0.001881 0.44559 11.8243
434 5XVQ SAH 0.002825 0.42387 11.8243
435 5XVK SAH 0.002863 0.42362 11.9718
436 4GUT FAD 0.0009972 0.43082 12.0968
437 4USR FAD 0.0002952 0.43549 12.1622
438 1EBF NAD 0.0003702 0.40285 12.1622
439 4J56 FAD 0.001389 0.42339 12.2807
440 1KNR FAD 0.001868 0.41446 12.5
441 2Z3Y F2N 0.00156 0.42049 12.8378
442 5TVF CGQ 0.02145 0.41003 12.9825
443 3AD8 NAD 0.0004031 0.43194 13.1313
444 3AD8 FAD 0.004579 0.41819 13.1313
445 5E8J SAH 0.0004642 0.48778 13.5135
446 1SQF SAM 0.00002488 0.41852 13.5135
447 5L95 AMP 0.0004494 0.46966 13.75
448 5CAE COA 0.006335 0.40619 13.8514
449 4POO SAM 0.0002904 0.41193 14
450 2BRY FAD 0.000565 0.42523 14.8649
451 4TXI FAD 0.0007299 0.42386 14.8649
452 3ZNN 4WL 0.003309 0.41824 15.2027
453 3ZNN FAD 0.003309 0.41824 15.2027
454 1KPG SAH 0.001264 0.44213 16.0279
455 4FN4 NAD 0.001213 0.40478 16.1417
456 4YMH SAH 0.0002863 0.47409 16.25
457 3QFA FAD 0.0003861 0.44237 16.5541
458 1JG3 ADN 0.000006153 0.43398 16.5957
459 3A4T SFG 0.00001005 0.44547 17.1533
460 4KRI SAH 0.00008357 0.41255 17.2297
461 3LZW NAP 0.0002889 0.46067 17.5676
462 3LZW FAD 0.0001157 0.45719 17.5676
463 5MBX FAD 0.001874 0.42636 18.5811
464 5MBX SP5 0.001874 0.42636 18.5811
465 3RNM FAD 0.00028 0.44874 18.9655
466 5FA8 SAM 0.0005339 0.45451 21.7391
467 3ELW SAM 0.002264 0.41237 21.9595
468 3ELW GP3 0.002835 0.40969 21.9595
469 2FK8 SAM 0.001041 0.44945 22.973
470 4OBW SAM 0.00002018 0.42305 24.1245
471 3K7M FAD 0.000713 0.4419 25.3378
472 3C6K SPD 0.0000000001683 0.66967 29.0541
473 3C6K MTA 0.0000000001683 0.66967 29.0541
474 4HSU FAD 0.0009024 0.43051 30
475 4GUS FAD 0.0009129 0.43032 42.8571
Pocket No.: 2; Query (leader) PDB : 1JQ3; Ligand: AAT; 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: 1jq3.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1JQ3; Ligand: AAT; 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: 1jq3.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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