Receptor
PDB id Resolution Class Description Source Keywords
3C3Y 1.37 Å EC: 2.1.1.104 CRYSTAL STRUCTURE OF PFOMT, PHENYLPROPANOID AND FLAVONOID O- METHYLTRANSFERASE FROM M. CRYSTALLINUM MESEMBRYANTHEMUM CRYSTALLINUM PLANT SECONDARY METABOLISM O-METHYLTRANSFERASE
Ref.: BIOCHEMICAL AND STRUCTURAL ANALYSIS OF SUBSTRATE PROMISCUITY IN PLANT MG(2+)-DEPENDENT O-METHYLTRANSFERASES J.MOL.BIOL. V. 378 154 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:238;
A:239;
B:238;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
SAH A:464;
B:465;
Valid;
Valid;
none;
none;
submit data
384.411 C14 H20 N6 O5 S c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3C3Y 1.37 Å EC: 2.1.1.104 CRYSTAL STRUCTURE OF PFOMT, PHENYLPROPANOID AND FLAVONOID O- METHYLTRANSFERASE FROM M. CRYSTALLINUM MESEMBRYANTHEMUM CRYSTALLINUM PLANT SECONDARY METABOLISM O-METHYLTRANSFERASE
Ref.: BIOCHEMICAL AND STRUCTURAL ANALYSIS OF SUBSTRATE PROMISCUITY IN PLANT MG(2+)-DEPENDENT O-METHYLTRANSFERASES J.MOL.BIOL. V. 378 154 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3C3Y - SAH C14 H20 N6 O5 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 1 families.
1 3C3Y - SAH C14 H20 N6 O5 S c1nc(c2c(n....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 2HNK - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 5LOG - LDP C8 H11 N O2 c1cc(c(cc1....
3 3CBG - FER C10 H10 O4 COc1cc(ccc....
4 5KVA Kd = 8.6 uM SAM C15 H22 N6 O5 S C[S@@+](CC....
5 3C3Y - SAH C14 H20 N6 O5 S c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SAH; Similar ligands found: 197
No: Ligand ECFP6 Tc MDL keys Tc
1 SAH 1 1
2 5X8 0.759494 0.969697
3 A7D 0.734177 0.926471
4 TT8 0.709302 0.970588
5 SXZ 0.692308 0.916667
6 DSH 0.692308 0.914286
7 DTA 0.666667 0.857143
8 3DH 0.662338 0.869565
9 S8M 0.655556 0.901408
10 SFG 0.635294 0.954545
11 SA8 0.62069 0.915493
12 EEM 0.617977 0.890411
13 MTA 0.615385 0.869565
14 SAI 0.613636 0.955882
15 S7M 0.586957 0.916667
16 36A 0.586538 0.90411
17 K15 0.583333 0.878378
18 RAB 0.573333 0.84058
19 ADN 0.573333 0.84058
20 XYA 0.573333 0.84058
21 62X 0.572917 0.855263
22 5CD 0.571429 0.852941
23 0UM 0.5625 0.876712
24 5N5 0.558442 0.84058
25 A4D 0.551282 0.867647
26 SAM 0.537634 0.916667
27 SSA 0.536842 0.712644
28 SMM 0.536842 0.88
29 KB1 0.534653 0.902778
30 A5D 0.532609 0.857143
31 SIB 0.53125 0.928571
32 EP4 0.530864 0.819444
33 DSZ 0.530612 0.732558
34 GSU 0.53 0.752941
35 AMP 0.529412 0.763158
36 A 0.529412 0.763158
37 5CA 0.525773 0.712644
38 ME8 0.524752 0.8125
39 M2T 0.52439 0.821918
40 6RE 0.523256 0.824324
41 GJV 0.522727 0.813333
42 AAT 0.515789 0.863014
43 LSS 0.515152 0.696629
44 KAA 0.514852 0.727273
45 J7C 0.511364 0.835616
46 A5A 0.510417 0.697674
47 SON 0.505495 0.805195
48 SRP 0.505155 0.805195
49 5AL 0.5 0.779221
50 VMS 0.5 0.681818
51 KH3 0.5 0.866667
52 ADX 0.5 0.694118
53 CA0 0.5 0.769231
54 AMP MG 0.5 0.74359
55 AMO 0.5 0.805195
56 54H 0.5 0.681818
57 AHX 0.49505 0.753086
58 TSB 0.494949 0.689655
59 53H 0.494949 0.674157
60 G5A 0.494737 0.712644
61 A2D 0.494382 0.74359
62 ABM 0.494382 0.74359
63 ZAS 0.494253 0.808219
64 A6D 0.490196 0.759494
65 8QN 0.49 0.779221
66 GEK 0.49 0.956522
67 GAP 0.489583 0.769231
68 A3S 0.48913 0.884058
69 AN2 0.48913 0.734177
70 S4M 0.488889 0.831169
71 SRA 0.488636 0.746835
72 LAD 0.485437 0.810127
73 52H 0.484848 0.674157
74 A12 0.483516 0.759494
75 BA3 0.483516 0.74359
76 AP2 0.483516 0.759494
77 AOC 0.483146 0.842857
78 NEC 0.483146 0.788732
79 Y3J 0.481481 0.768116
80 NVA LMS 0.480392 0.696629
81 VRT 0.479167 0.861111
82 50T 0.478723 0.734177
83 5AS 0.478261 0.655556
84 B4P 0.478261 0.74359
85 ADP 0.478261 0.74359
86 AP5 0.478261 0.74359
87 A3N 0.477778 0.830986
88 YSA 0.476636 0.712644
89 XAH 0.476636 0.768293
90 0XU 0.473684 0.897059
91 WAQ 0.471154 0.807692
92 NSS 0.470588 0.712644
93 5AD 0.468354 0.791045
94 ADP MG 0.468085 0.734177
95 AU1 0.468085 0.725
96 M33 0.468085 0.734177
97 MAO 0.467391 0.797468
98 TXA 0.466667 0.759494
99 A3G 0.466667 0.871429
100 NB8 0.466667 0.775
101 3AM 0.465909 0.727273
102 DAL AMP 0.465347 0.779221
103 ATP 0.463158 0.74359
104 ADP BEF 0.463158 0.716049
105 A3T 0.463158 0.842857
106 BEF ADP 0.463158 0.716049
107 ACP 0.463158 0.746835
108 7D7 0.4625 0.785714
109 LEU LMS 0.461538 0.677778
110 APC 0.458333 0.759494
111 AQP 0.458333 0.74359
112 APR 0.458333 0.766234
113 PRX 0.458333 0.746835
114 AR6 0.458333 0.766234
115 5FA 0.458333 0.74359
116 IOT 0.456897 0.761905
117 4AD 0.456311 0.794872
118 PAJ 0.456311 0.722892
119 WSA 0.45614 0.72093
120 FA5 0.453704 0.805195
121 YAP 0.453704 0.794872
122 RBY 0.453608 0.782051
123 ADV 0.453608 0.782051
124 ADP PO3 0.453608 0.763158
125 AD9 0.453608 0.725
126 SAP 0.453608 0.728395
127 AGS 0.453608 0.728395
128 PTJ 0.45283 0.731707
129 MHZ 0.452632 0.797468
130 00A 0.451923 0.740741
131 A3P 0.451613 0.74026
132 YLP 0.451327 0.771084
133 7MD 0.45045 0.768293
134 ALF ADP 0.45 0.707317
135 ADP ALF 0.45 0.707317
136 ATP MG 0.44898 0.734177
137 2VA 0.447917 0.819444
138 OOB 0.446602 0.779221
139 ANP 0.444444 0.725
140 ACQ 0.444444 0.746835
141 TAT 0.444444 0.7375
142 P5A 0.443396 0.719101
143 7D5 0.443182 0.708861
144 ARG AMP 0.442478 0.759036
145 A1R 0.442308 0.7625
146 YLC 0.439655 0.790123
147 2AM 0.438202 0.717949
148 DLL 0.438095 0.779221
149 A22 0.436893 0.734177
150 D3Y 0.436893 0.859155
151 TYR AMP 0.436364 0.782051
152 ATF 0.435644 0.716049
153 MYR AMP 0.435185 0.746988
154 SO8 0.434343 0.808219
155 3UK 0.433962 0.769231
156 OAD 0.433962 0.769231
157 TAD 0.433628 0.765432
158 25A 0.432692 0.74359
159 ANP MG 0.431373 0.707317
160 VO4 ADP 0.431373 0.734177
161 ADP VO4 0.431373 0.734177
162 9SN 0.431193 0.731707
163 TYM 0.431034 0.805195
164 PR8 0.429907 0.8
165 ADQ 0.428571 0.746835
166 YLB 0.42735 0.771084
167 3OD 0.425926 0.769231
168 FYA 0.425926 0.779221
169 1ZZ 0.425926 0.746988
170 PPS 0.425743 0.674419
171 NVA 2AD 0.424242 0.808219
172 MAP 0.423077 0.707317
173 A2P 0.421053 0.727273
174 4YB 0.421053 0.735632
175 ADP BMA 0.420561 0.746835
176 5SV 0.419048 0.731707
177 3NZ 0.416667 0.824324
178 YLA 0.416667 0.771084
179 48N 0.413793 0.753086
180 LPA AMP 0.413793 0.768293
181 AYB 0.413223 0.761905
182 QQY 0.413043 0.696203
183 ACK 0.413043 0.710526
184 JB6 0.412844 0.7625
185 BIS 0.412844 0.719512
186 PAP 0.41 0.730769
187 OVE 0.408602 0.7125
188 4UV 0.40708 0.75
189 AMP DBH 0.40708 0.746835
190 3AD 0.406977 0.852941
191 AF3 ADP 3PG 0.40678 0.743902
192 OMR 0.40678 0.738095
193 LAQ 0.405172 0.768293
194 A A 0.40367 0.74359
195 7C5 0.403509 0.789474
196 7MC 0.403361 0.75
197 4UU 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3C3Y; Ligand: SAH; Similar sites found: 349
This union binding pocket(no: 1) in the query (biounit: 3c3y.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ZN7 HSX 0.002319 0.44452 None
2 3FUU ADN 0.0007889 0.43888 None
3 3G89 SAM 0.006276 0.4151 None
4 5GVR LMR 0.002678 0.43863 0.854701
5 1G55 SAH 0.000002563 0.54409 1.26582
6 1RSG FAD 0.005578 0.43017 1.26582
7 3FRH SAH 0.006267 0.40593 1.26582
8 2AE2 NAP 0.02239 0.40038 1.26582
9 1VE3 SAM 0.00194 0.42613 1.32159
10 5IL1 SAM 0.00003308 0.5025 1.68776
11 5K7U SAM 0.00005616 0.49258 1.68776
12 1GET FAD 0.005453 0.44682 1.68776
13 1GET NAP 0.005785 0.44682 1.68776
14 1WY7 SAH 0.000001578 0.53261 1.93237
15 3UIE ANP 0.01238 0.40143 2
16 5E72 SAM 0.00003712 0.49964 2.1097
17 2PX8 SAH 0.00003927 0.49929 2.1097
18 4M37 SAH 0.00008798 0.47916 2.1097
19 4M38 SAH 0.00007774 0.47363 2.1097
20 3LAD FAD 0.001443 0.4573 2.1097
21 4N49 SAM 0.0003403 0.45644 2.1097
22 2EG5 SAH 0.001672 0.44167 2.1097
23 3G2O SAM 0.0009431 0.43967 2.1097
24 5X62 SAH 0.001785 0.4317 2.1097
25 2NXE SAM 0.001478 0.43124 2.1097
26 4TQG NDP 0.002873 0.42825 2.1097
27 3O7W SAM 0.0006531 0.42558 2.1097
28 1XHL NDP 0.004575 0.42325 2.1097
29 3NJ4 NAD 0.04765 0.41788 2.1097
30 3RKR NAP 0.009543 0.41468 2.1097
31 1J0X NAD 0.01588 0.40998 2.1097
32 4XAQ 40F 0.01479 0.40541 2.1097
33 2BZG SAH 0.00318 0.41685 2.15517
34 5FA8 SAM 0.00008844 0.4579 2.48447
35 2PWY SAH 0.0000006286 0.578 2.53165
36 1I9G SAM 0.0000005232 0.56213 2.53165
37 4UCI SAM 0.000009878 0.51932 2.53165
38 3GRU AMP 0.00006133 0.49243 2.53165
39 1ZGA SAH 0.0004413 0.46839 2.53165
40 1N2X SAM 0.00006053 0.4634 2.53165
41 3DMH SAM 0.0001864 0.45859 2.53165
42 3MBI HSX 0.001977 0.45313 2.53165
43 1N4W FAD 0.002972 0.44378 2.53165
44 1PR9 NAP 0.003968 0.42726 2.53165
45 3DMH GMP 0.0003285 0.41564 2.53165
46 1ZMD NAI 0.0007604 0.4093 2.53165
47 3LST SAH 0.01228 0.40158 2.53165
48 1AE1 NAP 0.01539 0.40078 2.53165
49 3LCC SAH 0.003109 0.40643 2.55319
50 2PXX SAH 0.001077 0.43316 2.7907
51 3TKA SAM 0.00003371 0.48822 2.95359
52 4BLW AMP 0.0007181 0.46187 2.95359
53 3UCL NAP 0.002904 0.4614 2.95359
54 3UCL CYH 0.002645 0.4614 2.95359
55 3UCL FAD 0.002645 0.4614 2.95359
56 4BLW SAH 0.0004461 0.46068 2.95359
57 1UAY ADN 0.001238 0.44769 2.95359
58 5E1M SAH 0.0003832 0.44513 2.95359
59 1ZQ9 SAM 0.001011 0.43836 2.95359
60 3MJE NDP 0.002018 0.43644 2.95359
61 2UYQ SAM 0.005537 0.43569 2.95359
62 2WSB NAD 0.00483 0.43111 2.95359
63 3GDN FAD 0.006202 0.42804 2.95359
64 3GDN HBX 0.008675 0.42804 2.95359
65 2XT3 ADP 0.01191 0.4269 2.95359
66 5EB4 FAD 0.00662 0.42481 2.95359
67 1T5C ADP 0.0277 0.41103 2.95359
68 1S7G APR 0.01512 0.40113 2.95359
69 4NEC SAH 0.000604 0.45716 3.0303
70 1G8S MET 0.004802 0.44102 3.04348
71 2ZL4 ALA ALA ALA ALA 0.03021 0.40056 3.06122
72 2VT3 ATP 0.0008757 0.40635 3.25581
73 1HGX 5GP 0.003363 0.44165 3.27869
74 1V6A TRE 0.0001698 0.51793 3.37553
75 4DCM SAM 0.0000606 0.50222 3.37553
76 1G60 SAM 0.0000648 0.48478 3.37553
77 2XVE FAD 0.00303 0.45577 3.37553
78 4KRI SAH 0.0003307 0.44812 3.37553
79 4KIB SAH 0.0003729 0.44411 3.37553
80 1KYQ NAD 0.001111 0.44079 3.37553
81 1P4A PCP 0.001508 0.43493 3.37553
82 4LWP SAH 0.0008285 0.43413 3.37553
83 5GM1 SAH 0.0009868 0.41816 3.37553
84 1KYZ SAH 0.003908 0.41298 3.37553
85 1X14 NAD 0.005416 0.4104 3.37553
86 3DC4 ADP 0.02035 0.40687 3.37553
87 1P77 ATR 0.02157 0.40556 3.37553
88 2BGM NAJ 0.008449 0.40482 3.37553
89 1EDO NAP 0.01196 0.40456 3.37553
90 2PZM NAD 0.02399 0.4016 3.37553
91 2PZM UDP 0.02399 0.4016 3.37553
92 4BQS ADP 0.01538 0.41312 3.40909
93 1QAN SAH 0.0000004997 0.55141 3.79747
94 3QOX SAH 0.00006291 0.49195 3.79747
95 5ULP KB1 0.00001243 0.48486 3.79747
96 1U2Z SAH 0.000126 0.47898 3.79747
97 5KOK SAH 0.0002002 0.46406 3.79747
98 2WPF WPF 0.007582 0.45211 3.79747
99 2WPF FAD 0.008972 0.44842 3.79747
100 1BZL FAD 0.009923 0.44667 3.79747
101 1QO8 FAD 0.004448 0.43471 3.79747
102 3VSE SAH 0.0003102 0.42976 3.79747
103 3ICR FAD 0.005167 0.42665 3.79747
104 5HJM MTA 0.002277 0.41939 3.79747
105 3ICS ADP 0.006273 0.4192 3.79747
106 4KCT FDP 0.006519 0.41841 3.79747
107 3ICT ADP 0.006597 0.41817 3.79747
108 2ZWA SAH 0.001789 0.41351 3.79747
109 5FTW SAH 0.002354 0.4133 3.79747
110 9LDT NAD 0.00755 0.41229 3.79747
111 2PD4 DCN 0.01002 0.41142 3.79747
112 5DNK SAH 0.000693 0.40863 3.79747
113 1BXK NAD 0.008673 0.40705 3.79747
114 2PD4 NAD 0.01314 0.40607 3.79747
115 1L1E SAH 0.006047 0.40477 3.79747
116 2VHW NAI 0.01517 0.40429 3.79747
117 1DQN IMU 0.006159 0.42856 3.91304
118 4FZV SAM 0.000007687 0.52646 4.21941
119 2DPM SAM 0.000007632 0.50643 4.21941
120 3A4T SFG 0.00002067 0.48831 4.21941
121 3TLJ SAH 0.0001082 0.45616 4.21941
122 1PS9 FAD 0.001494 0.45557 4.21941
123 4PIO AVI 0.001673 0.44408 4.21941
124 4PIO SAH 0.001788 0.44405 4.21941
125 2AWN ADP 0.008977 0.44055 4.21941
126 5DX0 SFG 0.001675 0.43399 4.21941
127 5DWQ SFG 0.001537 0.43395 4.21941
128 1I8T FAD 0.00529 0.42828 4.21941
129 4J7U YTZ 0.00756 0.42405 4.21941
130 4J7U NAP 0.00756 0.42405 4.21941
131 2YVF FAD 0.01476 0.42266 4.21941
132 2YVF NAD 0.01522 0.42266 4.21941
133 5DX1 SFG 0.0004316 0.4218 4.21941
134 1REO FAD 0.00767 0.42088 4.21941
135 1Z6Z NAP 0.005344 0.41769 4.21941
136 2CBZ ATP 0.0201 0.41675 4.21941
137 4TM3 FAD 0.02608 0.41482 4.21941
138 3LXD FAD 0.00911 0.41329 4.21941
139 5DXA SFG 0.001534 0.41153 4.21941
140 5DX8 SFG 0.001418 0.41127 4.21941
141 3T31 FAD 0.02171 0.41126 4.21941
142 3T31 DCQ 0.02316 0.41126 4.21941
143 1LVL NAD 0.002507 0.41126 4.21941
144 2AG5 NAD 0.009532 0.40652 4.21941
145 1KEW TYD 0.02441 0.40596 4.21941
146 3A25 SAM 0.005994 0.40494 4.21941
147 1KEW NAD 0.02673 0.40482 4.21941
148 3CIF G3H 0.01501 0.40127 4.21941
149 3CIF NAD 0.01194 0.4009 4.21941
150 2PS1 ORO 0.0003488 0.49058 4.42478
151 2PS1 PRP 0.005184 0.40426 4.42478
152 2JBH 5GP 0.007945 0.42305 4.44444
153 1NV8 SAM 0.001535 0.44025 4.57746
154 1NV8 MEQ 0.002936 0.4264 4.57746
155 1ORR NAD 0.008699 0.41194 4.61095
156 2WA2 SAM 0.00001798 0.49708 4.64135
157 1YXM ADE 0.002515 0.45718 4.64135
158 2Q1S NAI 0.003391 0.44113 4.64135
159 3S5W FAD 0.00319 0.42896 4.64135
160 4EIP FAD 0.006965 0.42752 4.64135
161 5BW4 SAM 0.003238 0.42028 4.64135
162 4EIP K2C 0.01548 0.41301 4.64135
163 2B9W FAD 0.02331 0.41045 4.64135
164 3TN7 NJP 0.009347 0.40815 4.64135
165 1R6D DAU 0.02655 0.40567 4.64135
166 1R6D NAD 0.02811 0.40518 4.64135
167 1MZV AMP 0.002365 0.4441 4.68085
168 1Q0S SAH 0.0000006238 0.52777 5.06329
169 2JJQ SAH 0.0000308 0.52176 5.06329
170 1SQF SAM 0.00003853 0.49964 5.06329
171 2P41 SAH 0.00007167 0.488 5.06329
172 1WG8 SAM 0.0001266 0.48086 5.06329
173 2GDZ NAD 0.001917 0.43742 5.06329
174 1RP0 AHZ 0.002947 0.43179 5.06329
175 1V5F FAD 0.0208 0.41731 5.06329
176 4USQ FAD 0.009016 0.41239 5.06329
177 2WHX ADP 0.02372 0.40654 5.06329
178 1ZK4 NAP 0.0187 0.40014 5.06329
179 1QB7 ADE 0.01384 0.40681 5.08475
180 5THY SAH 0.0000314 0.49014 5.48523
181 3S1S SAH 0.00002155 0.48109 5.48523
182 2DKH FAD 0.001989 0.44071 5.48523
183 2DKH 3HB 0.002917 0.44013 5.48523
184 4GQB 0XU 0.0006696 0.4182 5.48523
185 5FA5 MTA 0.006594 0.41026 5.48523
186 1XVB BBU 0.01606 0.40155 5.48523
187 3WV8 ATP 0.001385 0.42853 5.50459
188 2HMT NAI 0.0002827 0.44336 5.55556
189 5E8J SAH 0.0003154 0.47512 5.90717
190 4C4A SAH 0.0001552 0.46873 5.90717
191 3UOY NAP 0.005946 0.44562 5.90717
192 1JJ7 ADP 0.008321 0.43875 5.90717
193 3GEG NAD 0.001771 0.43604 5.90717
194 4OBW SAM 0.001199 0.43517 5.90717
195 2Q28 ADP 0.00109 0.43293 5.90717
196 5E9W SAH 0.000336 0.42923 5.90717
197 4Q9N NAI 0.00569 0.41777 5.90717
198 1Y8Q ATP 0.0006069 0.41679 5.90717
199 3LRE ADP 0.02007 0.41637 5.90717
200 3A27 SAM 0.005567 0.40633 5.90717
201 2V6G NAP 0.01226 0.40288 5.90717
202 4JLS 3ZE 0.002045 0.46035 5.92105
203 2W58 ADP 0.01952 0.41678 5.94059
204 3DXY SAM 0.0002266 0.48744 5.9633
205 4P83 U5P 0.001185 0.45865 6.04396
206 1EJ0 SAM 0.000004942 0.53816 6.11111
207 3GDH SAH 0.0000001273 0.55526 6.32911
208 3LKZ SFG 0.00005306 0.48845 6.32911
209 2ZIF SAM 0.0002875 0.45741 6.32911
210 4Y2H SAH 0.005876 0.42619 6.32911
211 4Y2H 49K 0.006908 0.42297 6.32911
212 3U4C NDP 0.004154 0.42118 6.32911
213 1FEC FAD 0.01623 0.41203 6.32911
214 4USR FAD 0.01153 0.40643 6.32911
215 4J1Q NDP 0.009344 0.40428 6.32911
216 1SOW NAD 0.01218 0.40421 6.32911
217 3Q87 SAM 0.00005488 0.46682 6.4
218 1PZM 5GP 0.003534 0.44058 6.63507
219 5CUQ NSC 0.00007441 0.5031 6.75105
220 5JJR SAH 0.00009262 0.48319 6.75105
221 2CDU FAD 0.001453 0.45054 6.75105
222 1F3L SAH 0.0006686 0.4297 6.75105
223 1E6E FAD 0.003658 0.43237 7.03125
224 2GVC FAD 0.0008146 0.45808 7.173
225 1IM8 SAI 0.0003436 0.44744 7.173
226 1RJD SAM 0.001599 0.42784 7.173
227 4RW3 DKA 0.01309 0.42689 7.173
228 2D2F ADP 0.02246 0.41416 7.173
229 1XTP SAI 0.002853 0.41154 7.173
230 1UP7 NAD 0.006311 0.40891 7.173
231 1RYI FAD 0.02012 0.40344 7.173
232 3EGI ADP 0.00295 0.44985 7.28155
233 4CVN ADP 0.02347 0.40367 7.32984
234 2XVM SAH 0.00001518 0.48372 7.53769
235 2WK1 SAH 0.000002172 0.53633 7.59494
236 5MPT SAH 0.00005222 0.49394 7.59494
237 1X87 NAD 0.00007192 0.48945 7.59494
238 4ONQ SFG 0.00007268 0.48774 7.59494
239 2V3A FAD 0.001477 0.45254 7.59494
240 1ELI PYC 0.009045 0.41659 7.59494
241 3L9W GSH 0.0001776 0.41337 7.59494
242 1SB8 NAD 0.02453 0.40436 7.59494
243 1SB8 UD2 0.02828 0.40436 7.59494
244 3L9W AMP 0.0001948 0.40236 7.59494
245 1XCL SAH 0.00001246 0.4407 7.65957
246 1LSS NAD 0.0001203 0.46486 7.85714
247 5THZ SAH 0.00002448 0.50959 8.01688
248 3GCZ SAM 0.00002138 0.4997 8.01688
249 1V59 FAD 0.001011 0.46746 8.01688
250 2IZ1 ATR 0.003393 0.44949 8.01688
251 1V59 NAD 0.0005602 0.41977 8.01688
252 3BXO SAM 0.001349 0.41024 8.01688
253 3LCV SAM 0.006602 0.40495 8.01688
254 2BRY FAD 0.001575 0.44526 8.43882
255 1YKJ FAD 0.02645 0.41162 8.43882
256 3VC1 SAH 0.002267 0.40527 8.43882
257 3LN9 FLC 0.001869 0.44577 8.63309
258 3OU2 SAH 0.00001532 0.47214 8.7156
259 3PT9 SAH 0.00001013 0.51333 8.86076
260 3EVG SAH 0.00009912 0.48192 8.86076
261 4EUE NAI 0.0008279 0.45641 8.86076
262 4J36 FAD 0.00123 0.45007 8.86076
263 4J36 1HR 0.002545 0.4469 8.86076
264 3CTY FAD 0.00316 0.44349 8.86076
265 3CH6 NAP 0.013 0.42597 8.86076
266 3CH6 311 0.013 0.42597 8.86076
267 2C31 ADP 0.01645 0.42578 8.86076
268 2C31 TZD 0.01688 0.42578 8.86076
269 3OZG SSI 0.003169 0.40141 8.86076
270 1P1C SAH 0.0001856 0.44648 9.04523
271 1XTT U5P 0.002919 0.42627 9.25926
272 5JSQ 6MS 0.008879 0.41205 9.25926
273 4CNK FAD 0.007365 0.42068 9.2827
274 3NUG NAD 0.005962 0.41686 9.31174
275 3SSO SAH 0.000002128 0.53665 9.70464
276 3TKY SAH 0.00357 0.41113 9.70464
277 2NVK NAP 0.01993 0.40734 9.70464
278 1H9A NAP 0.01587 0.40128 9.70464
279 1BXG NAD 0.01021 0.40121 9.70464
280 3H2B SAH 0.002451 0.41804 9.85222
281 3VYW SAM 0.000001783 0.54079 10.1266
282 1G6H ADP 0.008978 0.43642 10.1266
283 4MIG G3F 0.005828 0.43458 10.1266
284 2YY7 NAD 0.006462 0.4153 10.1266
285 3T7S SAM 0.002757 0.41272 10.1266
286 1I1N SAH 0.00008923 0.49299 10.177
287 3EGV SAH 0.00177 0.43186 10.2041
288 4QTU SAM 0.0003083 0.45613 10.3704
289 4DMG SAM 0.00005311 0.51722 10.5485
290 1NW5 SAM 0.00009517 0.47772 10.5485
291 5F8F SFG 0.0002639 0.47338 10.5485
292 3AD8 NAD 0.000805 0.45963 10.5485
293 2GAG NAD 0.001008 0.45895 10.5485
294 2RGO FAD 0.01149 0.41083 10.5485
295 5THQ NDP 0.01147 0.40294 10.5485
296 3K7S R52 0.01683 0.40267 10.6145
297 3H8V ATP 0.0002655 0.46344 10.6164
298 2XYQ SAH 0.00000225 0.55292 10.6557
299 2F5Z FAD 0.0008695 0.4685 10.9375
300 1O97 AMP 0.004426 0.44497 10.9705
301 2VDV SAM 0.00317 0.42883 10.9705
302 3BGD SAH 0.003294 0.41261 10.9705
303 1FP1 SAH 0.0021 0.40724 10.9705
304 3OFK SAH 0.0001633 0.45285 11.1111
305 1GOJ ADP 0.01484 0.42537 11.3924
306 3EYA FAD 0.01378 0.40513 11.3924
307 4POO SAM 0.0001185 0.44417 11.5
308 3C6K SPD 0.001227 0.45386 11.8143
309 3C6K MTA 0.001227 0.45386 11.8143
310 4PNE SAH 0.001588 0.412 11.8143
311 3M6W SAM 0.0003916 0.46565 12.2363
312 4KRG SAH 0.0001785 0.45511 12.2363
313 2ZFU SAH 0.001415 0.4301 12.5581
314 3Q9T FAY 0.00662 0.4228 12.6582
315 4BV6 FAD 0.01242 0.41314 12.6582
316 1JNR FAD 0.04868 0.40396 12.6667
317 3FIU POP 0.02179 0.40621 13.0802
318 3JWH SAH 0.0002388 0.43487 13.3641
319 1MO9 FAD 0.003037 0.46584 13.5021
320 1MO9 KPC 0.005311 0.45438 13.5021
321 3X0D SAH 0.00109 0.43293 13.5021
322 4NBW NAD 0.008279 0.4066 13.5021
323 1C4Q GLA GAL BGC 0.005404 0.42228 14.4928
324 2YX1 SFG 0.00008855 0.50059 14.7679
325 4IWN GEK 0.0005455 0.45159 15.7205
326 5L95 AMP 0.0001173 0.47388 16.25
327 2PT9 2MH 0.0006877 0.46271 16.4557
328 2PT9 S4M 0.0003659 0.46271 16.4557
329 2EJU SAH 0.00009241 0.48324 17.2996
330 4D42 NAP 0.0258 0.40482 17.2996
331 4D42 W0I 0.0258 0.40482 17.2996
332 3GU3 SAH 0.0001702 0.49949 17.7215
333 1YY5 FAD 0.01129 0.41774 18.1435
334 1L3I SAH 0.000001218 0.50246 18.2292
335 1DL5 SAH 0.000001228 0.5725 18.5654
336 4AT0 FAD 0.02115 0.4074 18.5654
337 4II2 ATP 0.003172 0.40793 19.2771
338 3MB5 SAM 0.0000001195 0.56716 20.6751
339 4RDH AMP 0.0008171 0.45124 22.7848
340 4RDI ATP 0.001606 0.42968 22.7848
341 4D79 ATP 0.001661 0.42904 22.7848
342 1R18 SAH 0.00002159 0.48948 25.1101
343 3HVJ 705 0.000000003468 0.70714 30.7692
344 1JG3 ADN 0.00175 0.42806 34.1772
345 4XUC SAM 0.000000008364 0.5147 36.2385
346 4XUC 43G 0.000000008364 0.5147 36.2385
347 4YMH SAH 0.0000000001471 0.70599 37.1308
348 5N5D SAM 0.000000000008922 0.77488 37.1681
349 3DUW SAH 0.00000000003445 0.75007 39.9103
Pocket No.: 2; Query (leader) PDB : 3C3Y; Ligand: SAH; 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: 3c3y.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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