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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 269 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 237 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 187 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: 202
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 ADN 0.565789 0.773333
9 RAB 0.565789 0.773333
10 XYA 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 5AL 0.510417 0.743902
25 54H 0.510204 0.673913
26 VMS 0.510204 0.673913
27 0UM 0.51 0.857143
28 AMP 0.505747 0.707317
29 LMS 0.505747 0.666667
30 A 0.505747 0.707317
31 ABM 0.505618 0.753086
32 A5A 0.505155 0.688889
33 SON 0.5 0.746988
34 SSA 0.5 0.684783
35 6RE 0.5 0.78481
36 K15 0.5 0.883117
37 5AD 0.5 0.75
38 SRP 0.5 0.746988
39 LSS 0.49505 0.706522
40 CA0 0.494624 0.714286
41 A12 0.494505 0.705882
42 AP2 0.494505 0.705882
43 ME8 0.490385 0.841463
44 TSB 0.49 0.681319
45 53H 0.49 0.666667
46 DAL AMP 0.49 0.765432
47 5CA 0.49 0.684783
48 ACP 0.489362 0.694118
49 ADP 0.48913 0.690476
50 5AS 0.48913 0.648936
51 J7C 0.488889 0.772152
52 A2D 0.488889 0.690476
53 ZAS 0.488636 0.769231
54 9ZD 0.485149 0.729412
55 9ZA 0.485149 0.729412
56 8QN 0.485149 0.743902
57 GAP 0.484536 0.73494
58 AN2 0.483871 0.682353
59 A3S 0.483871 0.813333
60 A7D 0.483871 0.851351
61 GJV 0.483516 0.775
62 SRA 0.483146 0.694118
63 LAD 0.480769 0.752941
64 KAA 0.480769 0.698925
65 GSU 0.480769 0.722222
66 AMO 0.480392 0.746988
67 DSZ 0.480392 0.703297
68 52H 0.48 0.666667
69 M33 0.478723 0.722892
70 BA3 0.478261 0.690476
71 MAO 0.478261 0.82716
72 NEC 0.477778 0.75
73 AOC 0.477778 0.776316
74 DSH 0.477778 0.842105
75 SXZ 0.47619 0.894737
76 AHX 0.475728 0.701149
77 NVA LMS 0.475728 0.736264
78 Y3J 0.47561 0.706667
79 G5A 0.474227 0.684783
80 A3T 0.473684 0.8
81 B4P 0.473118 0.690476
82 AP5 0.473118 0.690476
83 A3N 0.472527 0.766234
84 KB1 0.471698 0.833333
85 PRX 0.46875 0.73494
86 APC 0.46875 0.705882
87 AT4 0.468085 0.686047
88 PAJ 0.466019 0.712644
89 4AD 0.466019 0.759036
90 RBY 0.463918 0.72619
91 ADP PO3 0.463918 0.728395
92 ADV 0.463918 0.72619
93 ADX 0.463158 0.666667
94 MHZ 0.463158 0.82716
95 AU1 0.463158 0.674419
96 YAP 0.462963 0.738095
97 TXA 0.462264 0.72619
98 NB8 0.462264 0.72093
99 A3G 0.461538 0.802632
100 VRT 0.459184 0.842105
101 XAH 0.458716 0.715909
102 YSA 0.458716 0.684783
103 HEJ 0.458333 0.690476
104 50T 0.458333 0.682353
105 ATP 0.458333 0.690476
106 LEU LMS 0.457143 0.717391
107 7D7 0.45679 0.723684
108 KH3 0.455357 0.871795
109 ACQ 0.454545 0.694118
110 AR6 0.453608 0.710843
111 APR 0.453608 0.710843
112 AQP 0.453608 0.690476
113 5FA 0.453608 0.690476
114 NSS 0.451923 0.703297
115 FA5 0.449541 0.746988
116 A5D 0.44898 0.789474
117 AD9 0.44898 0.674419
118 AGS 0.44898 0.678161
119 SAP 0.44898 0.678161
120 PTJ 0.448598 0.72093
121 YLB 0.448276 0.758621
122 YLP 0.447368 0.738636
123 8X1 0.446602 0.680851
124 D3Y 0.446602 0.792208
125 ADP ALF 0.445545 0.678161
126 ALF ADP 0.445545 0.678161
127 3AM 0.444444 0.674699
128 MYR AMP 0.444444 0.776471
129 OAD 0.443396 0.73494
130 2VA 0.443299 0.779221
131 S8M 0.442308 0.831169
132 OOB 0.442308 0.722892
133 TYR AMP 0.441441 0.759036
134 6YZ 0.441176 0.694118
135 ADP VO4 0.441176 0.702381
136 VO4 ADP 0.441176 0.702381
137 T99 0.44 0.686047
138 TAT 0.44 0.686047
139 ANP 0.44 0.674419
140 WAQ 0.439252 0.75
141 B5Y 0.436364 0.717647
142 8PZ 0.436364 0.684783
143 F0P 0.435897 0.844156
144 YLC 0.435897 0.755814
145 AAT 0.435644 0.797468
146 1ZZ 0.435185 0.755814
147 9K8 0.435185 0.663158
148 3OD 0.435185 0.73494
149 NVA 2AD 0.434343 0.855263
150 00A 0.433962 0.689655
151 DLL 0.433962 0.722892
152 ARG AMP 0.433628 0.727273
153 7MD 0.433628 0.715909
154 ATF 0.431373 0.666667
155 SO8 0.43 0.792208
156 3UK 0.429907 0.714286
157 A6D 0.429907 0.72619
158 9X8 0.429907 0.717647
159 F2R 0.429752 0.7
160 5SV 0.428571 0.741176
161 AMP DBH 0.428571 0.714286
162 TYM 0.42735 0.746988
163 WSA 0.42735 0.692308
164 9SN 0.427273 0.681818
165 AHZ 0.426087 0.755814
166 P5A 0.425926 0.691489
167 B5V 0.425926 0.705882
168 PR8 0.425926 0.744186
169 A A 0.425926 0.710843
170 3NZ 0.425926 0.807692
171 A1R 0.424528 0.709302
172 2A5 0.424242 0.674419
173 7MC 0.423729 0.719101
174 B5M 0.423423 0.717647
175 7D5 0.422222 0.658824
176 JB6 0.422018 0.709302
177 FYA 0.422018 0.722892
178 AYB 0.421488 0.75
179 A22 0.419048 0.682353
180 MAP 0.419048 0.659091
181 2AM 0.417582 0.666667
182 TAD 0.417391 0.712644
183 A3P 0.416667 0.686747
184 ADP BMA 0.416667 0.714286
185 25A 0.415094 0.690476
186 YLA 0.413223 0.719101
187 8Q2 0.411765 0.663158
188 A3R 0.411215 0.709302
189 ADQ 0.411215 0.694118
190 48N 0.410256 0.72093
191 0XU 0.41 0.824324
192 GA7 0.408696 0.72619
193 7D3 0.40625 0.643678
194 PAP 0.405941 0.678571
195 DQV 0.405172 0.702381
196 OVE 0.404255 0.662791
197 4UV 0.403509 0.697674
198 AF3 ADP 3PG 0.403361 0.712644
199 3AD 0.402299 0.783784
200 CMP 0.402062 0.691358
201 2BA 0.402062 0.682927
202 7C5 0.4 0.731707
Ligand no: 2; Ligand: UPP; Similar ligands found: 84
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 U 0.628205 0.926471
8 GUD 0.615385 0.942029
9 660 0.615385 0.928571
10 URM 0.615385 0.928571
11 GDU 0.615385 0.942029
12 UPG 0.615385 0.942029
13 UFM 0.615385 0.942029
14 UFG 0.612903 0.890411
15 44P 0.604938 0.901408
16 UPU 0.602273 0.941176
17 UPF 0.595745 0.890411
18 UDX 0.595745 0.942029
19 UAD 0.595745 0.942029
20 U2F 0.595745 0.890411
21 USQ 0.583333 0.822785
22 UDP UDP 0.583333 0.911765
23 UGB 0.583333 0.955882
24 UGA 0.583333 0.955882
25 G3N 0.57732 0.915493
26 2KH 0.574713 0.914286
27 3UC 0.571429 0.890411
28 IUG 0.571429 0.835443
29 UDM 0.554455 0.915493
30 UD1 0.543689 0.928571
31 UD2 0.543689 0.928571
32 HP7 0.533333 0.942029
33 UD7 0.533333 0.928571
34 MJZ 0.528302 0.915493
35 F5P 0.523364 0.915493
36 UD4 0.523364 0.915493
37 F5G 0.523364 0.928571
38 12V 0.523364 0.902778
39 HWU 0.523364 0.902778
40 UDZ 0.518182 0.855263
41 Y6W 0.510204 0.890411
42 EPZ 0.508929 0.915493
43 UP5 0.504505 0.88
44 URI 0.5 0.838235
45 4TC 0.495575 0.857143
46 EPU 0.491228 0.902778
47 EEB 0.491228 0.902778
48 TLO 0.49 0.878378
49 5GW 0.484536 0.942857
50 UMA 0.483333 0.915493
51 U U 0.475248 0.927536
52 CSV 0.46729 0.853333
53 CSQ 0.46729 0.853333
54 UA3 0.465116 0.884058
55 U3P 0.465116 0.884058
56 CJB 0.463415 0.823529
57 U22 0.460317 0.792683
58 U20 0.460317 0.8125
59 U21 0.460317 0.8125
60 TPE 0.45283 0.855263
61 CTP 0.452632 0.888889
62 HF4 0.452632 0.888889
63 CDP 0.451613 0.888889
64 7XL 0.44898 0.864865
65 2GW 0.445455 0.929577
66 U3S 0.444444 0.756757
67 2QR 0.44186 0.848101
68 U4S 0.438202 0.733333
69 UAG 0.437037 0.866667
70 C2G 0.435644 0.876712
71 U1S 0.434343 0.753247
72 PUP 0.428571 0.861111
73 U2S 0.428571 0.77027
74 C5G 0.424528 0.890411
75 DUT 0.42268 0.861111
76 A U 0.416667 0.831169
77 1AA 0.415929 0.88
78 U2P 0.41573 0.898551
79 CDM 0.415094 0.820513
80 DUD 0.410526 0.861111
81 G U 0.409836 0.790123
82 4RA 0.408759 0.881579
83 CDC 0.40566 0.759036
84 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 with APoc: 110
This union binding pocket(no: 1) in the query (biounit: 3bxo.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5HA0 LTD None
2 2D6M LBT None
3 5EZU MYR None
4 5AIG VPR None
5 4IAW LIZ 1.59574
6 1QIN GIP 1.63934
7 4D06 X8W 1.67364
8 3I8T LBT 1.82927
9 4JGP PYR 1.84332
10 2A1L PCW 2.09205
11 4MP8 MLI 2.09205
12 4MP8 NAD 2.09205
13 5NFB 8VT 2.27273
14 2RDQ AKG 2.51046
15 5TZO 7V7 2.65957
16 1I06 TZL 2.77778
17 3WG3 A2G GAL NAG FUC 2.80899
18 5W1E PHB 2.92887
19 3Q60 ATP 2.92887
20 5DBX ANP 2.92887
21 4OMJ 2TX 2.92887
22 3HQ9 OXL 2.92887
23 6F9G PUT 2.92887
24 1ZZ7 S0H 3.0303
25 2GJ5 VD3 3.08642
26 2WA4 069 3.34728
27 4YZC STU 3.34728
28 5V1B 8UY 3.34728
29 1QY1 PRZ 3.44828
30 5DG2 GAL GLC 3.7037
31 1WLJ U5P 3.7037
32 1W6P NDG GAL 3.73134
33 4M26 AKG 3.76569
34 3A16 PXO 3.76569
35 5VGS 9A4 3.82166
36 4RYV ZEA 3.87097
37 4HIA FMN 3.97727
38 5HV0 AKG 4.14747
39 1SDW IYT 4.1841
40 5GLT BGC GAL NAG GAL 4.1841
41 4L4J NAG NAG BMA MAN NAG 4.52489
42 5DRB 5FJ 4.60251
43 5F3I 5UJ 4.60251
44 3ORK AGS 4.60251
45 5FWE OGA 4.60251
46 2YG2 S1P 4.65116
47 2YG2 FLC 4.65116
48 1QKQ MAN 4.92958
49 4RF7 ARG 5.02092
50 3JU6 ANP 5.02092
51 2UXR ICT 5.02092
52 4F9C 0SX 5.02092
53 5E2N V14 5.02092
54 5T9C G3P 5.02092
55 6A63 LAT 5.07246
56 2CM4 RCL 5.33333
57 6GNO XDI 5.92593
58 4LIT AKG 6.14251
59 6F6D AKG 6.27615
60 5GQX GLC GLC GLC GLC 6.27615
61 1NX4 AKG 6.27615
62 1XL8 152 6.27615
63 4OJ8 AKG 6.27615
64 5TPU TYD 6.47482
65 1OH2 SUC 6.69456
66 1UNB AKG 6.69456
67 1UNB PN1 6.69456
68 1SLT NDG GAL 6.71642
69 1X8D RNS 6.73077
70 3FW4 CAQ 6.74157
71 2P7Q GG6 6.76692
72 6BYM HC3 6.89655
73 4MJ0 SIA SIA GAL 7.11297
74 4MJ0 BGC SIA SIA GAL 7.11297
75 4MJ0 SIA SIA 7.11297
76 5E58 CPZ 7.11297
77 1IIU RTL 7.47126
78 1J3R 6PG 7.89474
79 5O9W AKG 7.94979
80 3WV6 GAL GLC 7.94979
81 3D72 FAD 8.05369
82 2WQN ADP 8.06452
83 4EES FMN 8.69565
84 2PVN P63 8.78661
85 4WUP 3UF 8.78661
86 1A78 TDG 8.95522
87 5KEW 6SB 9.02778
88 5X7Q ACR 10.0418
89 4IE6 UN9 10.0418
90 3E85 BSU 10.1266
91 2FCU AKG 10.4603
92 2E5Y ATP 11.2782
93 3M3E GAL A2G NPO 12.4224
94 4ZSI 4R1 12.8655
95 3VQ2 LP4 LP5 MYR DAO 12.9707
96 5MW8 ATP 12.9707
97 2YMZ LAT 13.0769
98 3DZ6 PUT 13.4328
99 1I7M PUT 13.4328
100 4XCB AKG 13.8075
101 4XCB HY0 13.8075
102 4FHD 0TT 14.2259
103 4FHD EEM 14.2259
104 4R38 RBF 15
105 3SAO NKN 15.625
106 4WOE ADP 17.1548
107 5NLD LBT 18.705
108 2QL9 CIT 20.6186
109 4K55 H6P 22.5806
110 4WUJ FMN 24.4898
Pocket No.: 2; Query (leader) PDB : 3BXO; Ligand: SAM; Similar sites found with APoc: 673
This union binding pocket(no: 2) in the query (biounit: 3bxo.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5FFF NAP None
2 5FFF 5XC None
3 5FEU NAP 0.83682
4 2AE2 PTO 0.83682
5 2AE2 NAP 0.83682
6 5D4V SAH 0.83682
7 2AG5 NAD 1.25523
8 2B4Q NAP 1.25523
9 1JA9 NDP 1.25523
10 5Z2L NDP 1.25523
11 3FPF TNA 1.67364
12 3FPF MTA 1.67364
13 1VL8 NAP 1.67364
14 3A28 NAD 1.67364
15 1Z6Z NAP 1.67364
16 3EWP APR 1.69492
17 4K79 GAL A2G 1.81818
18 2PWY SAH 2.09205
19 6D6Y SAH 2.09205
20 4DMG SAM 2.09205
21 6BQ6 TER 2.09205
22 5W7R 9Z7 2.09205
23 1GZ6 NAI 2.09205
24 6BWL NAD 2.09205
25 4ITU 1HS 2.09205
26 4ITU NAI 2.09205
27 1BC5 SAH 2.09205
28 4JNA FAD 2.09205
29 3GF4 FAD 2.09205
30 1GEG NAD 2.09205
31 5W7R SAH 2.09205
32 2XVF FAD 2.09205
33 2GV8 FAD 2.09205
34 4HXY NDP 2.09205
35 2GVC FAD 2.09205
36 1VQW FAD 2.09205
37 2RH4 EMO 2.09205
38 3GF4 UPG 2.09205
39 1ZK4 NAP 2.09205
40 5ZI2 NAD 2.09205
41 1Q8V MAN MAN 2.09205
42 3EYA FAD 2.51046
43 2UYQ SAM 2.51046
44 5K0A FAD 2.51046
45 3DMH SAM 2.51046
46 1XSE NDP 2.51046
47 3LU1 NAD 2.51046
48 3RFV 15L 2.51046
49 1ZK7 FAD 2.51046
50 2XVE FAD 2.51046
51 2GDZ NAD 2.51046
52 3RFV NAI 2.51046
53 5JAQ NAI 2.51046
54 2NYA MGD 2.51046
55 2WPF FAD 2.51046
56 2JAH NDP 2.51046
57 3GMB FAD 2.51046
58 4MOP 2H5 2.51046
59 5MIT FAD 2.51046
60 5MIT NAP 2.51046
61 5G3U FDA 2.51046
62 2JAP NDP 2.51046
63 4D42 NAP 2.51046
64 4D42 W0I 2.51046
65 4M52 FAD 2.51046
66 2A8X FAD 2.51046
67 5G3U ITW 2.51046
68 1NAA 6FA 2.51046
69 1NAA ABL 2.51046
70 5HXI FAD 2.51046
71 5HXI 5HN 2.51046
72 4MIG G3F 2.51046
73 1Q0H FOM 2.51046
74 3ICT FAD 2.51046
75 4EIP FAD 2.51046
76 3ICS FAD 2.51046
77 3SJ7 NDP 2.51046
78 3DMH GMP 2.51046
79 5YB7 ORN 2.51046
80 3ICR FAD 2.51046
81 5YB7 FAD 2.51046
82 1EJ0 SAM 2.77778
83 5OOH 9ZZ 2.91262
84 5OOH NAP 2.91262
85 3G89 SAM 2.92887
86 5MW4 5JU 2.92887
87 3QOX SAH 2.92887
88 1UWK NAD 2.92887
89 1UWK URO 2.92887
90 3ELW GP3 2.92887
91 3ELW SAM 2.92887
92 4URF NAD 2.92887
93 2EJU SAH 2.92887
94 1XKQ NDP 2.92887
95 1IY8 NAD 2.92887
96 3FUU ADN 2.92887
97 1RJD SAM 2.92887
98 1REO FAD 2.92887
99 2YY7 NAD 2.92887
100 1E5Q NDP 2.92887
101 1PR9 NAP 2.92887
102 1WVG APR 2.92887
103 3O03 NAP 2.92887
104 4NBU NAI 2.92887
105 3S5W FAD 2.92887
106 2J5V RGP 2.92887
107 2CFC NAD 2.92887
108 3D3W NAP 2.92887
109 5O4J SAH 2.92887
110 5O4J 9KH 2.92887
111 3SBZ MLI 2.92887
112 4ZCC NAI 2.92887
113 4ZCC FAD 2.92887
114 5O4J PJL 2.92887
115 1AE1 NAP 2.92887
116 4OOE FOM 2.92887
117 4OOE NDP 2.92887
118 1XHC FAD 2.92887
119 1W6U NAP 2.92887
120 5J60 FAD 2.92887
121 3LZW FAD 2.92887
122 1PS9 FAD 2.92887
123 5WUW NAP 2.92887
124 6GAS FAD 2.92887
125 6HOY AR6 2.92887
126 6HOY TSN 2.92887
127 1XCL SAH 2.97872
128 2PXX SAH 3.25581
129 5O42 9JW 3.28467
130 5O42 NAD 3.28467
131 5O42 BGC 3.28467
132 3MB5 SAM 3.34728
133 2OBF SAH 3.34728
134 2OBF F83 3.34728
135 3O7W SAM 3.34728
136 3ZV6 NAD 3.34728
137 3ZV6 4HB 3.34728
138 4FN4 NAD 3.34728
139 4DCM SAM 3.34728
140 1YBH FAD 3.34728
141 1O97 FAD 3.34728
142 1O97 AMP 3.34728
143 4FZV SAM 3.34728
144 3GCZ SAM 3.34728
145 1ORR NAD 3.34728
146 1UAY ADN 3.34728
147 2CDU FAD 3.34728
148 4NTD FAD 3.34728
149 5FUB SAH 3.34728
150 1V59 FAD 3.34728
151 6CI9 NAP 3.34728
152 2BGM NAJ 3.34728
153 5K4W THR 3.34728
154 5K4W NAI 3.34728
155 3AXB PRO 3.34728
156 1I2B NAD 3.34728
157 1I2B USQ 3.34728
158 1I2B UPG 3.34728
159 5N87 N66 3.34728
160 3AXB FAD 3.34728
161 5FWA J7C 3.34728
162 1RP0 AHZ 3.34728
163 2V3V MGD 3.34728
164 4C3Y FAD 3.34728
165 6F7L FAD 3.34728
166 4C3Y ANB 3.34728
167 4YKG FAD 3.34728
168 1G0N NDP 3.34728
169 1G0N PHH 3.34728
170 3RKR NAP 3.34728
171 1V59 NAD 3.34728
172 6AIN FAD 3.34728
173 2EXX NAP 3.34728
174 6F3M NAD 3.34728
175 1D4D FAD 3.4965
176 1P1C SAH 3.51759
177 3I53 SAH 3.61446
178 2WA2 SAM 3.76569
179 2O07 SPD 3.76569
180 2O07 MTA 3.76569
181 3GRU AMP 3.76569
182 2PT9 2MH 3.76569
183 5XLX SAH 3.76569
184 2PT9 S4M 3.76569
185 2I7C AAT 3.76569
186 1NJR XYL 3.76569
187 4D7E FAD 3.76569
188 3A4V PYR 3.76569
189 3A4V NAD 3.76569
190 1U7T TDT 3.76569
191 3OND NAD 3.76569
192 3OND ADN 3.76569
193 3ABI NAD 3.76569
194 3NUG NAD 3.76569
195 4ZRN UPG 3.76569
196 4ZRN NAD 3.76569
197 3QFA FAD 3.76569
198 2Q46 NAP 3.76569
199 5TTJ FAD 3.76569
200 1EDO NAP 3.76569
201 3OID NDP 3.76569
202 5DF1 58X 3.76569
203 5DF1 NAP 3.76569
204 4YNU FAD 3.76569
205 3U31 NAD 3.76569
206 4K5S PM0 3.76569
207 4K5S FAD 3.76569
208 1RLZ NAD 3.76569
209 5NA1 FAD 3.76569
210 3AB1 FAD 3.76569
211 2ZXI FAD 3.76569
212 1COY FAD 3.76569
213 1KEW TYD 3.76569
214 4NBT NAD 3.76569
215 2BZG SAH 3.87931
216 3TN7 NJP 3.89105
217 3EVF SAH 3.97112
218 3EVF GTA 3.97112
219 1QAN SAH 4.1841
220 3TLJ SAH 4.1841
221 1G55 SAH 4.1841
222 1Q0S SAH 4.1841
223 4C4A SAH 4.1841
224 4N49 SAM 4.1841
225 2NXE SAM 4.1841
226 2BD0 NAP 4.1841
227 6DEN TP9 4.1841
228 6DEN G8A 4.1841
229 6DEN FAD 4.1841
230 2WSB NAD 4.1841
231 2IID FAD 4.1841
232 2IID PHE 4.1841
233 1ZEM NAD 4.1841
234 4BLW AMP 4.1841
235 1V5F FAD 4.1841
236 1V5F TPP 4.1841
237 5ERG SAM 4.1841
238 4BLW SAH 4.1841
239 5OJI NAP 4.1841
240 5OJI ISN 4.1841
241 2FR1 NDP 4.1841
242 4J1Q NDP 4.1841
243 1E6W NAD 4.1841
244 3CGD FAD 4.1841
245 3CGD COA 4.1841
246 3CGD NAD 4.1841
247 1E3W NAD 4.1841
248 1PJS NAD 4.1841
249 1X87 NAD 4.1841
250 3K7M FAD 4.1841
251 4EMI FAD 4.1841
252 3NTD FAD 4.1841
253 3CBG SAH 4.31034
254 1R18 SAH 4.40529
255 4YAG NAI 4.60251
256 1T9D PYD 4.60251
257 1T9D 1MM 4.60251
258 5N0J FAD 4.60251
259 5WKC FAD 4.60251
260 2Z3Y F2N 4.60251
261 1GY8 NAD 4.60251
262 1T9D P25 4.60251
263 3BGD SAH 4.60251
264 1T9D FAD 4.60251
265 3UCL FAD 4.60251
266 3UCL CYH 4.60251
267 3KLJ FAD 4.60251
268 6ER9 FAD 4.60251
269 6ER9 NAP 4.60251
270 5Y1G AKB 4.60251
271 5Y1G NAD 4.60251
272 3RJ5 NAD 4.60251
273 4NTC FAD 4.60251
274 1FEC FAD 4.60251
275 3BGD PM6 4.60251
276 2ZJ1 NAD 4.60251
277 4RSL FAD 4.60251
278 1E1M NAP 4.60251
279 1E1M FAD 4.60251
280 5YJI SAH 4.60251
281 5YJI 8WO 4.60251
282 5KOX RFP 4.60251
283 5KOX FAD 4.60251
284 2ZJ1 ARJ 4.60251
285 4J7U NAP 4.60251
286 4J7U YTZ 4.60251
287 5AHO TLA 4.60251
288 6EQS BV8 4.60251
289 3RIY NAD 4.60251
290 6GAR FAD 4.60251
291 1U1I NAD 4.60251
292 3M6W SAM 4.60251
293 3GWZ SAH 4.60705
294 3GXO SAH 4.60705
295 1E6E FAD 4.6875
296 1WY7 SAH 4.83092
297 3DUW SAH 4.93274
298 1LSS NAD 5
299 3L9W AMP 5.02092
300 1BDB NAD 5.02092
301 5THY SAH 5.02092
302 2YX1 SFG 5.02092
303 3VSE SAH 5.02092
304 3L9W GSH 5.02092
305 5THZ SAH 5.02092
306 1EFV FAD 5.02092
307 1EFV AMP 5.02092
308 3U4C NDP 5.02092
309 4YAC NAI 5.02092
310 1R6D NAD 5.02092
311 1R6D DAU 5.02092
312 3C6K SPD 5.02092
313 3C6K MTA 5.02092
314 3TKA SAM 5.02092
315 1YQZ FAD 5.02092
316 4EUE NAI 5.02092
317 4MO2 FDA 5.02092
318 4MO2 FAD 5.02092
319 2C5A GDC 5.02092
320 2C5A NAD 5.02092
321 1YXM ADE 5.02092
322 5M67 ADE 5.02092
323 2JB2 FAD 5.02092
324 2JB2 PHE 5.02092
325 3AYI HCI 5.02092
326 3AYI FAD 5.02092
327 1BXK NAD 5.02092
328 5M67 NAD 5.02092
329 4LHD GLY 5.02092
330 5M67 3D1 5.02092
331 3NJ4 NAD 5.02092
332 4BUZ OCZ 5.02092
333 4BUZ OAD 5.02092
334 4BUZ NAD 5.02092
335 6F9Q NAD 5.02092
336 1YC5 NCA 5.02092
337 2UXR ICT 5.02092
338 2BRY FAD 5.02092
339 3WDM ADN 5.02092
340 5OJ7 AR6 5.02092
341 3ZNN 4WL 5.02092
342 3ZNN FAD 5.02092
343 5FJN FAD 5.02092
344 5FJN BE2 5.02092
345 1RDT 570 5.02092
346 5LW0 AR6 5.19481
347 5K7U SAM 5.33333
348 1G60 SAM 5.43933
349 2ZIF SAM 5.43933
350 4ONQ SFG 5.43933
351 5BJX UDP 5.43933
352 5BJX NAD 5.43933
353 1KYZ SAH 5.43933
354 5TS5 FAD 5.43933
355 1I8T FAD 5.43933
356 4Y9D NAI 5.43933
357 3VYW SAM 5.43933
358 1SB8 NAD 5.43933
359 1SB8 UD2 5.43933
360 1U2Z SAH 5.43933
361 4B63 FAD 5.43933
362 4B63 NAP 5.43933
363 4B63 ORN 5.43933
364 2V6G NAP 5.43933
365 4NBW NAD 5.43933
366 4X7Y SAH 5.43933
367 5MLR GRQ 5.43933
368 5MLR NAP 5.43933
369 1ZBQ NAD 5.43933
370 4GKV NAD 5.43933
371 6H3O FAD 5.43933
372 1KYZ FER 5.43933
373 4TXI FAD 5.43933
374 5THQ NDP 5.43933
375 4AT0 FAD 5.43933
376 4HA6 FAD 5.43933
377 3FZG SAM 5.5
378 5IL1 SAM 5.66038
379 3X0D SAH 5.85774
380 3A25 SAM 5.85774
381 5JJR SAH 5.85774
382 2RAB NAD 5.85774
383 2RAB FAD 5.85774
384 2PX8 SAH 5.85774
385 4CQM NAP 5.85774
386 3QJ4 FAD 5.85774
387 2EWM NAD 5.85774
388 1BZL GCG 5.85774
389 3WMX NAD 5.85774
390 4D04 FAD 5.85774
391 4D04 NAP 5.85774
392 3RNM FAD 5.85774
393 2Q7V FAD 5.85774
394 5GT9 NAP 5.85774
395 5BUK FAD 5.85774
396 1BZL FAD 5.85774
397 1Q9I TEO 5.85774
398 1Q9I FAD 5.85774
399 1W73 NAP 5.85774
400 1W8D NAP 5.85774
401 2DKN NAI 5.85774
402 2JHP SAH 5.90062
403 3GEG NAD 6.27615
404 3EVG SAH 6.27615
405 1PN0 IPH 6.27615
406 1OAA OAA 6.27615
407 6B92 SAH 6.27615
408 3QWI NAP 6.27615
409 3QWI CUE 6.27615
410 6GFK SAH 6.27615
411 3H8V ATP 6.27615
412 3FXU TSU 6.27615
413 3DXY SAM 6.42202
414 5GZZ GSH 6.42202
415 3GD4 NAD 6.45793
416 3GD4 FAD 6.45793
417 5YF1 8V0 6.69456
418 5YF1 SFG 6.69456
419 5MPT SAH 6.69456
420 3NDJ SAH 6.69456
421 3NDJ JHZ 6.69456
422 5FTW SAH 6.69456
423 2P41 SAH 6.69456
424 1ZQ9 SAM 6.69456
425 1ELI PYC 6.69456
426 1EK6 NAI 6.69456
427 1EK6 UPG 6.69456
428 1MUU NAD 6.69456
429 1GET FAD 6.69456
430 1GET NAP 6.69456
431 5KMS NAD 6.69456
432 1MV8 NAD 6.69456
433 4J36 1HR 6.69456
434 2Q1W NAD 6.69456
435 2IZ1 ATR 6.69456
436 4J36 FAD 6.69456
437 1S7G NAD 6.69456
438 5KMS FAD 6.69456
439 6GKV SAH 7.11297
440 1IM8 SAI 7.11297
441 3FRH SAH 7.11297
442 5CUQ NSC 7.11297
443 1UDB NAD 7.11297
444 1UDB UFG 7.11297
445 3SQP FAD 7.11297
446 3S1S SAH 7.11297
447 4KGD TDP 7.11297
448 4KGD FAD 7.11297
449 5Z75 NAD 7.11297
450 3GDN FAD 7.11297
451 3GDN HBX 7.11297
452 3V1U NAD 7.11297
453 3E1T FAD 7.11297
454 5BRT FAD 7.11297
455 1FK8 NAD 7.11297
456 2VVM FAD 7.11297
457 5BRT CH9 7.11297
458 2VVL FAD 7.11297
459 1XG5 NAP 7.16846
460 3HVJ 705 7.23982
461 4XUC SAM 7.33945
462 4XUC 43G 7.33945
463 4EMJ FAD 7.47664
464 3P9C SAH 7.53138
465 2DPM SAM 7.53138
466 3TKY SAH 7.53138
467 5U8U FAD 7.53138
468 2PZM NAD 7.53138
469 2PZM UDP 7.53138
470 3LXD FAD 7.53138
471 4AP3 FAD 7.53138
472 4AP3 NAP 7.53138
473 1NFQ NAI 7.53138
474 5OC1 FAD 7.53138
475 2EFJ SAH 7.94979
476 2EG5 SAH 7.94979
477 2DTX BMA 7.94979
478 4M73 SAH 7.94979
479 1DL5 SAH 7.94979
480 4M73 M72 7.94979
481 4IV9 FAD 7.94979
482 5X68 FAD 7.94979
483 2NPX FAD 7.94979
484 3C3Y SAH 8.01688
485 4A6D SAM 8.3682
486 3CTY FAD 8.3682
487 1RSG FAD 8.3682
488 4PIO AVI 8.3682
489 6FHO FAD 8.3682
490 1FL2 FAD 8.3682
491 4PIO SAH 8.3682
492 5TWB FAD 8.3682
493 1G8K MGD 8.3682
494 1NM5 NAP 8.37438
495 5ZW3 SAH 8.44444
496 1TPY SAH 8.78661
497 5NMX FAD 8.78661
498 5NMX NAP 8.78661
499 2HQM FAD 8.78661
500 3X0V FAD 8.78661
501 5KKA 6V0 8.78661
502 1GTE FAD 8.78661
503 2IVF MGD 8.78661
504 5A3B APR 8.78661
505 5EPO NAP 8.78661
506 3SJU NDP 8.96057
507 1H8P PC 9.17431
508 5WP5 SAH 9.20502
509 5E9W SAH 9.20502
510 5E8J SAH 9.20502
511 5HJM MTA 9.20502
512 2FK8 SAM 9.20502
513 1XHL NDP 9.20502
514 6FDF SAH 9.20502
515 5EJ2 NAD 9.20502
516 1WG8 SAM 9.20502
517 3FPZ AHZ 9.20502
518 6F97 FAD 9.20502
519 2XYQ SAH 9.20502
520 3KO8 NAD 9.20502
521 2QA1 FAD 9.20502
522 5WP4 SAH 9.62343
523 2AOT SAH 9.62343
524 5DLY 5D7 9.62343
525 5DLY SAH 9.62343
526 1JQD HSM 9.62343
527 1JQ3 AAT 9.62343
528 1JQD SAH 9.62343
529 1H82 FAD 9.62343
530 1H82 GZZ 9.62343
531 4GLL NAD 9.62343
532 1V8B NAD 9.62343
533 4HSU FAD 9.62343
534 5T2U NAP 9.62343
535 1R37 NAD 9.62343
536 1I1N SAH 9.73451
537 2OOR TXP 9.77011
538 1JG3 ADN 9.78723
539 4AZW SAM 10.0418
540 4Y30 SAH 10.0418
541 4Y30 49L 10.0418
542 3A4T SFG 10.0418
543 1KPG SAH 10.0418
544 1RKX NAD 10.0418
545 2ZWA SAH 10.0418
546 1NW5 SAM 10.0418
547 1OC2 NAD 10.0418
548 1OC2 TDX 10.0418
549 3VC1 SAH 10.0418
550 3VC1 GST 10.0418
551 4OM8 NAD 10.0418
552 4R6W PC 10.4603
553 5ICE SAH 10.4603
554 5ICE 2H4 10.4603
555 5KOK SAH 10.4603
556 1KPH SAH 10.4603
557 4R6W SAH 10.4603
558 5HSA FAS 10.4603
559 4BJZ FAD 10.4603
560 4BJZ P3A 10.4603
561 5KOK S9T 10.4603
562 5KOK R9T 10.4603
563 4X60 SFG 10.8787
564 4X60 3XV 10.8787
565 4GQB 0XU 10.8787
566 4M37 SAH 10.8787
567 5FA5 MTA 10.8787
568 4G5H NAP 10.8787
569 4G5H UD7 10.8787
570 3SSO SAH 10.8787
571 4M38 SAH 10.8787
572 1XDS SAM 11.2299
573 5XNC MTA 11.2971
574 2NVK FAD 11.2971
575 5GWT SIN 11.2971
576 5GWT NAD 11.2971
577 1NV8 MEQ 11.2971
578 1NV8 SAM 11.2971
579 3PT9 SAH 11.7155
580 4UCI SAM 11.7155
581 3HDY FDA 11.7155
582 3HDY GDU 11.7155
583 3HDY FAD 11.7155
584 3LAD FAD 11.7155
585 2DKH FAD 11.7155
586 2DKH 3HB 11.7155
587 2IVD FAD 12.1339
588 5GSN MMZ 12.1339
589 4TM3 FAD 12.1339
590 5GSN FAD 12.1339
591 5GSN NAP 12.1339
592 3IHG FAD 12.1339
593 6DUB SAH 12.1622
594 2HMT NAI 12.5
595 5L95 AMP 12.5
596 2GN4 NDP 12.5523
597 4FC7 NAP 12.5523
598 4FC7 COA 12.5523
599 2GN4 UD1 12.5523
600 1Q1R FAD 12.5523
601 2VDV SAM 12.9707
602 5BVA FAD 12.9707
603 4OBW SAM 13.3891
604 4L2I FAD 13.3891
605 2RGJ FAD 13.3891
606 3AD8 NAD 13.7931
607 3A27 SAM 13.8075
608 2Q28 ADP 13.8075
609 6EL3 NAP 13.8075
610 1Y8Q ATP 14.2259
611 5ODQ FAD 14.2857
612 2A14 SAH 14.6444
613 1N2X SAM 14.6444
614 4USQ FAD 14.6444
615 5M58 SAH 14.7826
616 4IWN GEK 14.8472
617 2C31 TZD 15.0628
618 2C31 ADP 15.0628
619 5VN0 FAD 15.4812
620 5WGR FAD 15.4812
621 5VN0 NAI 15.4812
622 2IV2 MGD 15.4812
623 4YUW 4JU 15.8996
624 4YUW S4M 15.8996
625 4XQC 13D 15.8996
626 4XQC NAD 15.8996
627 4ZA2 NAD 16.318
628 3LCC SAH 16.5957
629 5EEH SAH 16.7364
630 5EEH P9P 16.7364
631 3EGI ADP 16.9903
632 5X62 SAH 17.1548
633 6ARJ BW4 17.1548
634 6ARJ SAH 17.1548
635 3GDH SAH 17.1548
636 1L1E SAH 17.1548
637 5DX1 SFG 17.1548
638 5DXA SFG 17.1548
639 5DX8 SFG 17.1548
640 5DX0 SFG 17.1548
641 5DWQ SFG 17.1548
642 4K26 SFF 17.1548
643 4K26 NDP 17.1548
644 5DM1 5D7 17.5732
645 5DM1 SAH 17.5732
646 1QZZ SAM 17.5732
647 5E1M PRO PRO LYS ARG ILE ALA 17.5732
648 5E1M SAH 17.5732
649 3Q87 SAM 17.6471
650 4D5G TPP 17.9916
651 4D5G FAD 17.9916
652 3OFK SAH 18.0556
653 2GAG NAD 18.1818
654 5W7M SAH 19.2469
655 3CH6 NAP 19.6653
656 3CH6 311 19.6653
657 4QTU SAM 19.7115
658 5W7K SAH 20.5021
659 3GU3 SAH 20.9205
660 2JJQ SAH 20.9205
661 1VE3 SAM 21.5859
662 3JWH SAH 22.1198
663 1Z3C SA8 22.5941
664 5MGZ SAH 23.7288
665 2XVM SAH 24.1206
666 2F5Z FAD 25
667 3G2O SAM 28.0335
668 4POO SAM 30
669 5GWX SAM 30.1255
670 5GWX SAR 30.1255
671 1QO8 FAD 32.636
672 4RPL FAD 34.3096
673 4RPL 3UC 34.3096
Pocket No.: 3; Query (leader) PDB : 3BXO; Ligand: UPP; Similar sites found with APoc: 42
This union binding pocket(no: 3) in the query (biounit: 3bxo.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 2BOS GLA GAL GLC None
2 2BOS GLA GAL None
3 2YIP YIO None
4 6FL8 TIY 1.25523
5 6FL8 ADP 1.25523
6 2I74 MAN MAN MAN MAN 1.5873
7 3JQ3 ADP 1.67364
8 5UQD AKG 2.09205
9 1W3T 3GR 2.09205
10 2CKM AA7 2.51046
11 1OJJ GLC GAL 2.92887
12 2FTB OLA 3.2
13 2P4Y C03 3.34728
14 5A3T MMK 3.34728
15 4WVW SLT 4.16667
16 4M1U A2G MBG 4.1841
17 2XXP DSL 4.60251
18 2OS2 OGA 4.60251
19 1OS7 AKG 4.60251
20 4QCK ASD 4.60251
21 2VQ5 HBA 4.97512
22 2OVW CBI 5.02092
23 2GC0 PAN 5.31915
24 4OCT AKG 5.40541
25 4WVO 3UZ 5.85774
26 3T50 FMN 6.25
27 4J36 1HR 6.69456
28 6CAY ERG 7.10059
29 4AMF ACP 7.11297
30 1T27 PCW 7.53138
31 3IS2 FAD 7.79221
32 6E2B PT7 7.89474
33 4R5Z PMP 7.94979
34 3WV6 GAL BGC 7.94979
35 3WUD GLC GAL 8.82353
36 3PG7 PTY 10.0418
37 5SVV FMN 10.219
38 5HZ9 5M8 10.3704
39 5EPA AKG 11.2971
40 4LAY I63 11.7155
41 4WN5 MVC 13.0435
42 4MNS 2AX 22.0126
Pocket No.: 4; Query (leader) PDB : 3BXO; Ligand: SAM; Similar sites found with APoc: 44
This union binding pocket(no: 4) in the query (biounit: 3bxo.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4Z24 FAD 2.09205
2 1RPN NDP 2.09205
3 2FAV APR 2.22222
4 2ZAT NAP 2.92887
5 1MXG ACR 2.92887
6 3ML1 MGD 2.96296
7 1JBU BEN 3.1746
8 4DSG FAD 3.34728
9 4DSG UDP 3.34728
10 5XWV NDP 3.34728
11 5XWV 8H6 3.34728
12 3CGB FAD 3.76569
13 1KEW NAD 3.76569
14 1U7T NAD 3.76569
15 3GD8 GOL 4.03587
16 4EMI NAD 4.1841
17 1H5Q NAP 4.1841
18 3NTA FAD 4.1841
19 3OJF NDP 4.1841
20 3OJF IMJ 4.1841
21 3UCL NAP 4.60251
22 1O5I NAD 4.60251
23 4J56 FAD 5.43933
24 4O0L NDP 5.43933
25 4USR FAD 5.43933
26 5J5Z FAD 5.85774
27 4CNK FAD 5.85774
28 1PN0 FAD 6.27615
29 5ME4 HP4 6.27615
30 4REP FAD 6.27615
31 3HB5 NAP 6.27615
32 2OEM 1AE 7.11297
33 1PL6 NAD 7.53138
34 1PL6 572 7.53138
35 5EB4 FAD 7.94979
36 1YY5 FAD 8.3682
37 3UOY NAP 8.3682
38 3UOY FAD 8.3682
39 3VZS NAP 8.3682
40 1Z45 NAD 12.9707
41 3KIH GDL 13.4021
42 5AHS SIN 14.6444
43 1KQF MGD 15.4812
44 4JDR FAD 21.7573
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