Receptor
PDB id Resolution Class Description Source Keywords
3BXO 2 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF STREPTOMYCES VENEZUELAE DESVI STREPTOMYCES VENEZUELAE METHYLTRANSFERASE DESOSAMINE SUGAR CARBOHYDRATE ANTIBIOTIC SAM ADOMET
Ref.: THREE-DIMENSIONAL STRUCTURE OF DESVI FROM STREPTOMYCES VENEZUELAE: A SUGAR N,N-DIMETHYLTRANSFERASE REQUIRED FOR DTDP-DESOSAMINE BIOSYNTHESIS. BIOCHEMISTRY V. 47 3982 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO B:240;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
SAM A:238;
B:238;
Valid;
Valid;
none;
none;
submit data
398.437 C15 H22 N6 O5 S C[S@@...
UPP A:239;
B:239;
Valid;
Valid;
none;
none;
submit data
480.257 C15 H18 N2 O12 P2 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3BXO 2 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF STREPTOMYCES VENEZUELAE DESVI STREPTOMYCES VENEZUELAE METHYLTRANSFERASE DESOSAMINE SUGAR CARBOHYDRATE ANTIBIOTIC SAM ADOMET
Ref.: THREE-DIMENSIONAL STRUCTURE OF DESVI FROM STREPTOMYCES VENEZUELAE: A SUGAR N,N-DIMETHYLTRANSFERASE REQUIRED FOR DTDP-DESOSAMINE BIOSYNTHESIS. BIOCHEMISTRY V. 47 3982 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 3BXO - SAM C15 H22 N6 O5 S C[S@@+](CC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 211 families.
1 3BXO - SAM C15 H22 N6 O5 S C[S@@+](CC....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 4OQE - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 4OQD - QDM C18 H31 N3 O14 P2 C[C@@H]1[C....
3 3PX2 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 3PFH - SAH C14 H20 N6 O5 S c1nc(c2c(n....
5 3PX3 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
6 3PFG - SAM C15 H22 N6 O5 S C[S@@+](CC....
7 5BSZ - THM C10 H14 N2 O5 CC1=CN(C(=....
8 3BXO - SAM C15 H22 N6 O5 S C[S@@+](CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SAM; Similar ligands found: 192
No: Ligand ECFP6 Tc MDL keys Tc
1 SAM 1 1
2 SMM 0.792683 0.96
3 S4M 0.6875 0.909091
4 S7M 0.670455 0.945946
5 M2T 0.636364 0.878378
6 GEK 0.612903 0.931507
7 SAI 0.571429 0.878378
8 XYA 0.565789 0.773333
9 ADN 0.565789 0.773333
10 RAB 0.565789 0.773333
11 5CD 0.564103 0.783784
12 EP4 0.5625 0.826667
13 SA8 0.56044 0.945205
14 SFG 0.555556 0.875
15 5X8 0.555556 0.888889
16 5N5 0.551282 0.773333
17 A4D 0.544304 0.797297
18 EEM 0.542553 0.945946
19 SAH 0.537634 0.916667
20 DTA 0.536585 0.789474
21 62X 0.535354 0.884615
22 MTA 0.53012 0.875
23 3DH 0.517647 0.849315
24 AMP MG 0.511364 0.710843
25 5AL 0.510417 0.743902
26 VMS 0.510204 0.673913
27 54H 0.510204 0.673913
28 0UM 0.51 0.857143
29 A 0.505747 0.707317
30 AMP 0.505747 0.707317
31 ABM 0.505618 0.753086
32 A5A 0.505155 0.688889
33 DAL AMP 0.50505 0.765432
34 NVA LMS 0.504951 0.725275
35 K15 0.5 0.883117
36 6RE 0.5 0.78481
37 5AD 0.5 0.75
38 SSA 0.5 0.684783
39 SON 0.5 0.746988
40 SRP 0.5 0.746988
41 LSS 0.49505 0.706522
42 CA0 0.494624 0.714286
43 A12 0.494505 0.705882
44 AP2 0.494505 0.705882
45 ME8 0.490385 0.841463
46 5CA 0.49 0.684783
47 TSB 0.49 0.681319
48 53H 0.49 0.666667
49 ACP 0.489362 0.694118
50 5AS 0.48913 0.648936
51 ADP 0.48913 0.690476
52 A2D 0.488889 0.690476
53 J7C 0.488889 0.772152
54 ZAS 0.488636 0.769231
55 8QN 0.485149 0.743902
56 GAP 0.484536 0.73494
57 AN2 0.483871 0.682353
58 A3S 0.483871 0.813333
59 A7D 0.483871 0.851351
60 GJV 0.483516 0.775
61 SRA 0.483146 0.694118
62 LAD 0.480769 0.752941
63 KAA 0.480769 0.698925
64 GSU 0.480769 0.722222
65 AMO 0.480392 0.746988
66 DSZ 0.480392 0.703297
67 52H 0.48 0.666667
68 ADP MG 0.478723 0.702381
69 M33 0.478723 0.722892
70 MAO 0.478261 0.82716
71 BA3 0.478261 0.690476
72 AOC 0.477778 0.776316
73 DSH 0.477778 0.842105
74 NEC 0.477778 0.75
75 SXZ 0.47619 0.894737
76 AHX 0.475728 0.701149
77 Y3J 0.47561 0.706667
78 G5A 0.474227 0.684783
79 A3T 0.473684 0.8
80 ADP BEF 0.473684 0.686047
81 BEF ADP 0.473684 0.686047
82 B4P 0.473118 0.690476
83 AP5 0.473118 0.690476
84 A3N 0.472527 0.766234
85 KB1 0.471698 0.833333
86 LEU LMS 0.471154 0.706522
87 APC 0.46875 0.705882
88 PRX 0.46875 0.73494
89 PAJ 0.466019 0.712644
90 4AD 0.466019 0.759036
91 RBY 0.463918 0.72619
92 ADP PO3 0.463918 0.728395
93 ADV 0.463918 0.72619
94 ADX 0.463158 0.666667
95 MHZ 0.463158 0.82716
96 AU1 0.463158 0.674419
97 YAP 0.462963 0.738095
98 TXA 0.462264 0.72619
99 NB8 0.462264 0.72093
100 A3G 0.461538 0.802632
101 VRT 0.459184 0.842105
102 ATP MG 0.459184 0.702381
103 YSA 0.458716 0.684783
104 XAH 0.458716 0.715909
105 50T 0.458333 0.682353
106 ATP 0.458333 0.690476
107 7D7 0.45679 0.723684
108 ANP MG 0.455446 0.678161
109 KH3 0.455357 0.871795
110 ACQ 0.454545 0.694118
111 AQP 0.453608 0.690476
112 5FA 0.453608 0.690476
113 AR6 0.453608 0.710843
114 APR 0.453608 0.710843
115 NSS 0.451923 0.703297
116 FA5 0.449541 0.746988
117 AGS 0.44898 0.678161
118 SAP 0.44898 0.678161
119 A5D 0.44898 0.789474
120 AD9 0.44898 0.674419
121 PTJ 0.448598 0.72093
122 YLB 0.448276 0.758621
123 YLP 0.447368 0.738636
124 D3Y 0.446602 0.792208
125 ADP ALF 0.445545 0.678161
126 ALF ADP 0.445545 0.678161
127 TYR AMP 0.445455 0.746988
128 MYR AMP 0.444444 0.776471
129 3AM 0.444444 0.674699
130 OAD 0.443396 0.73494
131 2VA 0.443299 0.779221
132 OOB 0.442308 0.722892
133 S8M 0.442308 0.831169
134 ADP VO4 0.441176 0.702381
135 VO4 ADP 0.441176 0.702381
136 ANP 0.44 0.674419
137 TAT 0.44 0.686047
138 WAQ 0.439252 0.75
139 ARG AMP 0.438596 0.727273
140 YLC 0.435897 0.755814
141 AAT 0.435644 0.797468
142 3OD 0.435185 0.73494
143 1ZZ 0.435185 0.755814
144 NVA 2AD 0.434343 0.815789
145 DLL 0.433962 0.722892
146 00A 0.433962 0.689655
147 7MD 0.433628 0.715909
148 ATF 0.431373 0.666667
149 SO8 0.43 0.792208
150 3UK 0.429907 0.714286
151 A6D 0.429907 0.72619
152 5SV 0.428571 0.741176
153 AMP DBH 0.428571 0.714286
154 WSA 0.42735 0.692308
155 TYM 0.42735 0.746988
156 9SN 0.427273 0.681818
157 AHZ 0.426087 0.755814
158 A A 0.425926 0.710843
159 3NZ 0.425926 0.807692
160 P5A 0.425926 0.691489
161 PR8 0.425926 0.744186
162 A1R 0.424528 0.709302
163 2A5 0.424242 0.674419
164 7MC 0.423729 0.719101
165 7D5 0.422222 0.658824
166 FYA 0.422018 0.722892
167 JB6 0.422018 0.709302
168 AYB 0.421488 0.75
169 PLP AAD 0.419355 0.764045
170 A22 0.419048 0.682353
171 MAP 0.419048 0.659091
172 2AM 0.417582 0.666667
173 TAD 0.417391 0.712644
174 A3P 0.416667 0.686747
175 ADP BMA 0.416667 0.714286
176 25A 0.415094 0.690476
177 YLA 0.413223 0.719101
178 ADQ 0.411215 0.694118
179 48N 0.410256 0.72093
180 0XU 0.41 0.824324
181 NAD IBO 0.406504 0.717647
182 7D3 0.40625 0.643678
183 PAP 0.405941 0.678571
184 OVE 0.404255 0.662791
185 4UV 0.403509 0.697674
186 ALF ADP 3PG 0.403361 0.712644
187 AF3 ADP 3PG 0.403361 0.712644
188 LA8 ALF 3PG 0.403361 0.712644
189 3AD 0.402299 0.783784
190 CMP 0.402062 0.691358
191 2BA 0.402062 0.682927
192 7C5 0.4 0.731707
Ligand no: 2; Ligand: UPP; Similar ligands found: 82
No: Ligand ECFP6 Tc MDL keys Tc
1 UPP 1 1
2 UDP 0.705128 0.941176
3 UTP 0.7 0.941176
4 UNP 0.654762 0.914286
5 UDH 0.640449 0.842105
6 U5P 0.628205 0.926471
7 UPG 0.615385 0.942029
8 UFM 0.615385 0.942029
9 GUD 0.615385 0.942029
10 URM 0.615385 0.928571
11 GDU 0.615385 0.942029
12 660 0.615385 0.928571
13 UFG 0.612903 0.890411
14 44P 0.604938 0.901408
15 UPU 0.602273 0.941176
16 U2F 0.595745 0.890411
17 UDX 0.595745 0.942029
18 UAD 0.595745 0.942029
19 UPF 0.595745 0.890411
20 UDP UDP 0.583333 0.911765
21 USQ 0.583333 0.822785
22 UGA 0.583333 0.955882
23 UGB 0.583333 0.955882
24 G3N 0.57732 0.915493
25 2KH 0.574713 0.914286
26 3UC 0.571429 0.890411
27 IUG 0.571429 0.835443
28 UDM 0.554455 0.915493
29 UD2 0.543689 0.928571
30 UD1 0.543689 0.928571
31 UD7 0.533333 0.928571
32 HP7 0.533333 0.942029
33 MJZ 0.528302 0.915493
34 UD4 0.523364 0.915493
35 HWU 0.523364 0.902778
36 12V 0.523364 0.902778
37 UDZ 0.518182 0.855263
38 Y6W 0.510204 0.890411
39 EPZ 0.508929 0.915493
40 UP5 0.504505 0.88
41 URI 0.5 0.838235
42 UDP GAL 0.5 0.914286
43 U 0.5 0.838235
44 4TC 0.495575 0.857143
45 EEB 0.491228 0.902778
46 EPU 0.491228 0.902778
47 TLO 0.49 0.878378
48 5GW 0.484536 0.942857
49 UMA 0.483333 0.915493
50 U U 0.475248 0.927536
51 CSQ 0.46729 0.853333
52 CSV 0.46729 0.853333
53 UA3 0.465116 0.884058
54 U3P 0.465116 0.884058
55 CJB 0.463415 0.823529
56 U22 0.460317 0.792683
57 U20 0.460317 0.8125
58 U21 0.460317 0.8125
59 TPE 0.45283 0.855263
60 CTP 0.452632 0.888889
61 CDP 0.451613 0.888889
62 CH 0.449438 0.861111
63 7XL 0.44898 0.864865
64 2GW 0.445455 0.929577
65 U3S 0.444444 0.756757
66 2QR 0.44186 0.848101
67 U4S 0.438202 0.733333
68 UAG 0.437037 0.866667
69 C2G 0.435644 0.876712
70 U1S 0.434343 0.753247
71 PUP 0.428571 0.861111
72 U2S 0.428571 0.77027
73 C5G 0.424528 0.890411
74 DUT 0.42268 0.861111
75 A U 0.416667 0.831169
76 1AA 0.415929 0.88
77 U2P 0.41573 0.898551
78 CDM 0.415094 0.820513
79 DUD 0.410526 0.861111
80 4RA 0.408759 0.881579
81 CDC 0.40566 0.759036
82 UD0 0.402878 0.87013
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3BXO; Ligand: UPP; Similar sites found: 47
This union binding pocket(no: 1) in the query (biounit: 3bxo.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5AIG VPR 0.01332 0.40619 None
2 4IAW LIZ 0.01359 0.40577 1.59574
3 1I06 TZL 0.01204 0.41292 2.77778
4 3WG3 A2G GAL NAG FUC 0.0216 0.40204 2.80899
5 3Q60 ATP 0.002951 0.41986 2.92887
6 4GJY OGA 0.02264 0.40343 2.97872
7 2WA4 069 0.002923 0.42872 3.34728
8 4YZC STU 0.0184 0.40962 3.34728
9 5V1B 8UY 0.0156 0.40722 3.34728
10 5DG2 GAL GLC 0.007372 0.41958 3.7037
11 1W6P NDG GAL 0.0236 0.41044 3.73134
12 4M26 AKG 0.01291 0.41389 3.76569
13 3A16 PXO 0.008646 0.40239 3.76569
14 4L4J NAG NAG BMA MAN NAG 0.01675 0.40965 4.52489
15 5FWE OGA 0.01621 0.40755 4.60251
16 1QKQ MAN 0.002154 0.45525 4.92958
17 4F9C 0SX 0.003062 0.41915 5.02092
18 5T9C G3P 0.01594 0.40619 5.02092
19 5GQX GLC GLC GLC GLC 0.01815 0.41819 6.27615
20 1XL8 152 0.01637 0.40897 6.27615
21 1SLT NDG GAL 0.02612 0.40152 6.71642
22 1X8D RNS 0.01163 0.41367 6.73077
23 3FW4 CAQ 0.01107 0.40657 6.74157
24 4MJ0 SIA SIA GAL 0.01124 0.41807 7.11297
25 4MJ0 BGC SIA SIA GAL 0.01211 0.41611 7.11297
26 4MJ0 SIA SIA 0.01566 0.40942 7.11297
27 5E58 CPZ 0.01776 0.40555 7.11297
28 3WV6 GAL GLC 0.01747 0.40519 7.94979
29 2WQN ADP 0.009773 0.40431 8.06452
30 5KEW 6SB 0.008627 0.41546 9.02778
31 1EPB REA 0.007501 0.40188 9.7561
32 5X7Q ACR 0.003647 0.46415 10.0418
33 1JL0 PUT 0.01517 0.41894 10.0418
34 2FCU AKG 0.01924 0.40455 10.4603
35 2E5Y ATP 0.01075 0.40238 11.2782
36 3M3E GAL A2G NPO 0.02267 0.40398 12.4224
37 4ZSI 4R1 0.006157 0.40569 12.8655
38 3VQ2 LP4 LP5 MYR DAO 0.02191 0.41065 12.9707
39 5MW8 ATP 0.009363 0.40679 12.9707
40 2YMZ LAT 0.01085 0.40526 13.0769
41 3DZ6 PUT 0.02618 0.40411 13.4328
42 1I7M PUT 0.02422 0.40131 13.4328
43 4XCB AKG 0.002917 0.4439 13.8075
44 3SAO NKN 0.01063 0.40668 15.625
45 4WOE ADP 0.005673 0.43213 17.1548
46 2QL9 CIT 0.00432 0.43415 20.6186
47 4K55 H6P 0.007279 0.42443 22.5806
Pocket No.: 2; Query (leader) PDB : 3BXO; Ligand: SAM; Similar sites found: 255
This union binding pocket(no: 2) in the query (biounit: 3bxo.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2AE2 NAP 0.01524 0.42097 0.83682
2 2AG5 NAD 0.003919 0.43882 1.25523
3 1JA9 NDP 0.02325 0.40371 1.25523
4 1Z6Z NAP 0.01715 0.40781 1.67364
5 4K79 GAL A2G 0.009502 0.41597 1.81818
6 2PWY SAH 0.000002159 0.58276 2.09205
7 4DMG SAM 0.00006534 0.50258 2.09205
8 1BC5 SAH 0.00004539 0.44459 2.09205
9 2GVC FAD 0.009708 0.42342 2.09205
10 2UYQ SAM 0.0000185 0.55497 2.51046
11 3EYA FAD 0.001391 0.4671 2.51046
12 3DMH SAM 0.0000678 0.45135 2.51046
13 2GDZ NAD 0.003153 0.44337 2.51046
14 4MIG G3F 0.01158 0.43386 2.51046
15 4D42 W0I 0.03151 0.4123 2.51046
16 4D42 NAP 0.03151 0.4123 2.51046
17 3ICR FAD 0.02553 0.40692 2.51046
18 4EIP FAD 0.03474 0.40631 2.51046
19 3DMH GMP 0.0001208 0.40581 2.51046
20 1EJ0 SAM 0.0000762 0.46737 2.77778
21 3G89 SAM 0.0000006688 0.58586 2.92887
22 3QOX SAH 0.00001417 0.54443 2.92887
23 1RJD SAM 0.00004663 0.51579 2.92887
24 2EJU SAH 0.00005612 0.46906 2.92887
25 3FUU ADN 0.00005367 0.46302 2.92887
26 2YY7 NAD 0.002377 0.45065 2.92887
27 1PR9 NAP 0.002706 0.45049 2.92887
28 3S5W FAD 0.008239 0.4245 2.92887
29 5O4J SAH 0.01529 0.41487 2.92887
30 5O4J 9KH 0.01529 0.41487 2.92887
31 5O4J PJL 0.01614 0.41261 2.92887
32 1AE1 NAP 0.01642 0.41225 2.92887
33 2J5V RGP 0.01617 0.40877 2.92887
34 1PS9 FAD 0.03752 0.40212 2.92887
35 5MW4 5JU 0.0000199 0.40031 2.92887
36 2PXX SAH 0.0000001371 0.55674 3.25581
37 3O7W SAM 0.000004929 0.54681 3.34728
38 4FZV SAM 0.00001539 0.53814 3.34728
39 3GCZ SAM 0.0000527 0.50856 3.34728
40 4DCM SAM 0.00005941 0.48755 3.34728
41 3MB5 SAM 0.000004845 0.47712 3.34728
42 1O97 AMP 0.002076 0.47686 3.34728
43 1ORR NAD 0.002107 0.45579 3.34728
44 1UAY ADN 0.000527 0.45548 3.34728
45 2CDU FAD 0.003897 0.44629 3.34728
46 2BGM NAJ 0.004009 0.43412 3.34728
47 1RP0 AHZ 0.01345 0.41534 3.34728
48 1G0N NDP 0.02144 0.41166 3.34728
49 1G0N PHH 0.02881 0.40795 3.34728
50 3RKR NAP 0.01133 0.40326 3.34728
51 1V59 NAD 0.006637 0.40151 3.34728
52 1P1C SAH 0.0001347 0.43305 3.51759
53 3I53 SAH 0.000007155 0.48627 3.61446
54 3GRU AMP 0.00001468 0.54372 3.76569
55 2WA2 SAM 0.00004693 0.5083 3.76569
56 5XLX SAH 0.0001573 0.48676 3.76569
57 3NUG NAD 0.006019 0.43111 3.76569
58 2BZG SAH 0.00003309 0.48022 3.87931
59 3TN7 NJP 0.01094 0.41851 3.89105
60 1G55 SAH 0.00001026 0.49021 4.1841
61 1QAN SAH 0.000003194 0.48787 4.1841
62 3TLJ SAH 0.000004149 0.47567 4.1841
63 4C4A SAH 0.00005947 0.46025 4.1841
64 2WSB NAD 0.002791 0.45778 4.1841
65 4BLW AMP 0.002093 0.45718 4.1841
66 1V5F FAD 0.007105 0.45411 4.1841
67 4BLW SAH 0.002314 0.44549 4.1841
68 2NXE SAM 0.0002548 0.44398 4.1841
69 3EGV SAH 0.0003925 0.4429 4.1841
70 4N49 SAM 0.0002324 0.4353 4.1841
71 1Q0S SAH 0.00003977 0.43391 4.1841
72 4J1Q NDP 0.006648 0.42506 4.1841
73 1X87 NAD 0.0002567 0.41544 4.1841
74 3NTD FAD 0.02929 0.40487 4.1841
75 3CBG SAH 0.0007535 0.43356 4.31034
76 1R18 SAH 0.000005665 0.4801 4.40529
77 5XVK SAH 0.000003105 0.48456 4.60251
78 3BGD SAH 0.00003313 0.44924 4.60251
79 3UCL CYH 0.01835 0.4331 4.60251
80 3UCL NAP 0.0198 0.4331 4.60251
81 3UCL FAD 0.01835 0.4331 4.60251
82 1FEC FAD 0.02006 0.4201 4.60251
83 3BGD PM6 0.00004858 0.41919 4.60251
84 3M6W SAM 0.006648 0.40035 4.60251
85 3GWZ SAH 0.000002651 0.55893 4.60705
86 3GXO SAH 0.000007062 0.52741 4.60705
87 1WY7 SAH 0.00001796 0.46145 4.83092
88 3DUW SAH 0.0001667 0.44599 4.93274
89 1LSS NAD 0.000109 0.44405 5
90 5THZ SAH 0.0000022 0.58238 5.02092
91 5THY SAH 0.000002208 0.50886 5.02092
92 2YX1 SFG 0.00004446 0.50382 5.02092
93 3VSE SAH 0.00008289 0.48404 5.02092
94 1R6D DAU 0.003526 0.46266 5.02092
95 1R6D NAD 0.003655 0.46266 5.02092
96 3C6K SPD 0.002717 0.454 5.02092
97 3C6K MTA 0.002717 0.454 5.02092
98 3TKA SAM 0.00007077 0.44952 5.02092
99 1YXM ADE 0.004967 0.42916 5.02092
100 1YC5 NCA 0.01316 0.41082 5.02092
101 2BRY FAD 0.01966 0.4084 5.02092
102 5K7U SAM 0.001804 0.41209 5.33333
103 1U2Z SAH 0.00006531 0.51331 5.43933
104 1G60 SAM 0.00002417 0.47563 5.43933
105 1KYZ SAH 0.0000515 0.47394 5.43933
106 2ZIF SAM 0.00003022 0.47046 5.43933
107 4ONQ SFG 0.0002193 0.44868 5.43933
108 1I8T FAD 0.004945 0.44439 5.43933
109 3VYW SAM 0.0001385 0.4417 5.43933
110 1SB8 NAD 0.008239 0.44059 5.43933
111 1SB8 UD2 0.009501 0.44059 5.43933
112 4NBW NAD 0.006388 0.42589 5.43933
113 2V6G NAP 0.007946 0.42526 5.43933
114 1KYZ FER 0.0001639 0.40451 5.43933
115 5THQ NDP 0.0214 0.40315 5.43933
116 4AT0 FAD 0.04943 0.40071 5.43933
117 3FZG SAM 0.0001045 0.47604 5.5
118 5IL1 SAM 0.0008866 0.42317 5.66038
119 5JJR SAH 0.00006743 0.46771 5.85774
120 3A25 SAM 0.0001127 0.45942 5.85774
121 3X0D SAH 0.000126 0.4487 5.85774
122 2PX8 SAH 0.0002285 0.44768 5.85774
123 2JHP SAH 0.00352 0.40845 5.90062
124 3GEG NAD 0.0003421 0.48666 6.27615
125 3EVG SAH 0.00006312 0.46956 6.27615
126 3QWI NAP 0.01084 0.41992 6.27615
127 3QWI CUE 0.01668 0.41992 6.27615
128 3DXY SAM 0.00001637 0.5303 6.42202
129 5MPT SAH 0.0000006653 0.54903 6.69456
130 5FTW SAH 0.000001791 0.51052 6.69456
131 2P41 SAH 0.00009422 0.46287 6.69456
132 1ZQ9 SAM 0.000246 0.44851 6.69456
133 1ELI PYC 0.005245 0.44208 6.69456
134 1GET FAD 0.03111 0.42156 6.69456
135 1GET NAP 0.03264 0.42156 6.69456
136 2IZ1 ATR 0.01024 0.41683 6.69456
137 4J36 1HR 0.02267 0.41494 6.69456
138 4J36 FAD 0.01762 0.41074 6.69456
139 1IM8 SAI 0.00000004263 0.57008 7.11297
140 3FRH SAH 0.00001576 0.54227 7.11297
141 5CUQ NSC 0.00004937 0.53359 7.11297
142 3SQP FAD 0.0241 0.45559 7.11297
143 3S1S SAH 0.00002395 0.45251 7.11297
144 3GDN HBX 0.01592 0.42831 7.11297
145 3GDN FAD 0.01184 0.42831 7.11297
146 3HVJ 705 0.00005471 0.53879 7.23982
147 3TKY SAH 0.000008068 0.54862 7.53138
148 2DPM SAM 0.00008193 0.43707 7.53138
149 2PZM UDP 0.01253 0.42796 7.53138
150 2PZM NAD 0.01253 0.42796 7.53138
151 3LXD FAD 0.009095 0.42706 7.53138
152 1NFQ NAI 0.01097 0.41966 7.53138
153 2EFJ SAH 0.000000241 0.61274 7.94979
154 2EG5 SAH 0.000000354 0.59829 7.94979
155 1DL5 SAH 0.00002275 0.54097 7.94979
156 4M73 SAH 0.0000002482 0.4323 7.94979
157 4M73 M72 0.0000003934 0.42307 7.94979
158 5EB4 FAD 0.0275 0.40808 7.94979
159 3C3Y SAH 0.001349 0.41024 8.01688
160 4PIO SAH 0.000004498 0.58749 8.3682
161 4PIO AVI 0.000004151 0.58749 8.3682
162 4A6D SAM 0.00001244 0.48674 8.3682
163 3CTY FAD 0.01025 0.43325 8.3682
164 1RSG FAD 0.01319 0.42595 8.3682
165 1NM5 NAP 0.04869 0.40319 8.37438
166 1TPY SAH 0.00001554 0.5403 8.78661
167 1H8P PC 0.03914 0.40309 9.17431
168 5E8J SAH 0.0000007855 0.58271 9.20502
169 5E9W SAH 0.0000006283 0.57757 9.20502
170 1WG8 SAM 0.00002186 0.53775 9.20502
171 5HJM MTA 0.000004737 0.50144 9.20502
172 2FK8 SAM 0.00001054 0.48521 9.20502
173 1XHL NDP 0.001091 0.46839 9.20502
174 2XYQ SAH 0.001729 0.41452 9.20502
175 2AOT SAH 0.0000007126 0.58802 9.62343
176 1JQD SAH 0.000003536 0.44085 9.62343
177 1JQD HSM 0.000037 0.42134 9.62343
178 1R37 NAD 0.02879 0.4013 9.62343
179 1I1N SAH 0.00001176 0.55655 9.73451
180 1JG3 ADN 0.00000985 0.49876 9.78723
181 4Y2H SAH 0.00003089 0.55379 10.0418
182 4Y2H 49K 0.00004465 0.54585 10.0418
183 4AZW SAM 0.0000002932 0.54487 10.0418
184 3A4T SFG 0.000003596 0.49025 10.0418
185 1KPG SAH 0.00001125 0.47586 10.0418
186 2ZWA SAH 0.00009396 0.44203 10.0418
187 1NW5 SAM 0.0001797 0.43987 10.0418
188 3VC1 GST 0.00000168 0.40513 10.0418
189 3VC1 SAH 0.00000168 0.40513 10.0418
190 1KPH SAH 0.00001704 0.53843 10.4603
191 5KOK SAH 0.000001408 0.52309 10.4603
192 4R6W SAH 0.000001431 0.4377 10.4603
193 5KOK S9T 0.000002703 0.42027 10.4603
194 5KOK R9T 0.00001847 0.404 10.4603
195 5FA5 MTA 0.00007115 0.48367 10.8787
196 4GQB 0XU 0.000007276 0.46151 10.8787
197 4M37 SAH 0.00006889 0.45827 10.8787
198 4M38 SAH 0.0001146 0.44278 10.8787
199 3SSO SAH 0.0004265 0.42129 10.8787
200 1XDS SAM 0.000001881 0.56564 11.2299
201 1NV8 MEQ 0.00004895 0.52698 11.2971
202 1NV8 SAM 0.00005331 0.52698 11.2971
203 3PT9 SAH 0.00002811 0.52109 11.7155
204 4UCI SAM 0.00008841 0.45347 11.7155
205 3LAD FAD 0.01768 0.41954 11.7155
206 2DKH 3HB 0.02108 0.41298 11.7155
207 2DKH FAD 0.01586 0.41298 11.7155
208 4TM3 FAD 0.03712 0.41858 12.1339
209 2HMT NAI 0.0001881 0.43069 12.5
210 4FC7 NAP 0.002558 0.4617 12.5523
211 4FC7 COA 0.002558 0.4617 12.5523
212 2VDV SAM 0.0000001441 0.61586 12.9707
213 4OBW SAM 0.0000003743 0.55611 13.3891
214 3AD8 NAD 0.01353 0.41747 13.7931
215 3A27 SAM 0.00007687 0.46779 13.8075
216 2Q28 ADP 0.0006142 0.42164 13.8075
217 1Y8Q ATP 0.000924 0.40042 14.2259
218 2A14 SAH 0.000002772 0.49395 14.6444
219 1N2X SAM 0.0001776 0.42574 14.6444
220 4USQ FAD 0.01052 0.42286 14.6444
221 5M58 SAH 0.000000001484 0.63267 14.7826
222 4IWN GEK 0.000000002231 0.72279 14.8472
223 2C31 ADP 0.007264 0.45731 15.0628
224 2C31 TZD 0.00745 0.45731 15.0628
225 3LCC SAH 0.0000004093 0.60225 16.5957
226 3EGI ADP 0.000004059 0.58411 16.9903
227 5X62 SAH 0.0000003443 0.56928 17.1548
228 5DWQ SFG 0.00001206 0.54993 17.1548
229 3GDH SAH 0.0000004282 0.49946 17.1548
230 1L1E SAH 0.000006465 0.49081 17.1548
231 5DXA SFG 0.000009351 0.46629 17.1548
232 5DX8 SFG 0.00001215 0.46321 17.1548
233 5DX1 SFG 0.000009035 0.45128 17.1548
234 5DX0 SFG 0.00001231 0.44817 17.1548
235 1QZZ SAM 0.000001626 0.56849 17.5732
236 5E1M SAH 0.0000008953 0.43499 17.5732
237 5E1M PRO PRO LYS ARG ILE ALA 0.0000008953 0.43499 17.5732
238 5DM1 SAH 0.000001663 0.41233 17.5732
239 5DM1 5D7 0.000001787 0.40747 17.5732
240 3Q87 SAM 0.0002276 0.41552 17.6471
241 3OFK SAH 0.000003481 0.49336 18.0556
242 2GAG NAD 0.01844 0.41395 18.1818
243 4QTU SAM 0.0000001508 0.56696 19.7115
244 3GU3 SAH 0.0000001574 0.63305 20.9205
245 2JJQ SAH 0.0001188 0.48461 20.9205
246 1VE3 SAM 0.000000002341 0.6431 21.5859
247 3JWH SAH 0.000000002113 0.68341 22.1198
248 1Z3C SA8 0.0000004465 0.46474 22.5941
249 5MGZ SAH 0.000000002868 0.62349 23.7288
250 2XVM SAH 0.0000002961 0.60178 24.1206
251 2F5Z FAD 0.01436 0.42497 25
252 3G2O SAM 0.000000007954 0.62307 28.0335
253 5GWX SAR 0.0000002289 0.50039 30.1255
254 5GWX SAM 0.0000002289 0.50039 30.1255
255 1QO8 FAD 0.02878 0.40883 32.636
Pocket No.: 3; Query (leader) PDB : 3BXO; Ligand: UPP; 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: 3bxo.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3BXO; Ligand: SAM; 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: 3bxo.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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