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Receptor
PDB id Resolution Class Description Source Keywords
3I53 2.08 Å EC: 2.1.1.- CRYSTAL STRUCTURE OF AN O-METHYLTRANSFERASE (NCSB1) FROM NEOCARZINOSTATIN BIOSYNTHESIS IN COMPLEX WITH S-ADENOSYL-L-H OMOCYSTEINE (SAH) STREPTOMYCES CARZINOSTATICUS SUBSP. NEOCARZINOSTATICUS CO-COMPLEX ROSSMANN-LIKE FOLD METHYLTRANSFERASE TRANSFERA
Ref.: MOLECULAR BASIS OF SUBSTRATE PROMISCUITY FOR THE SAM-DEPENDENT O-METHYLTRANSFERASE NCSB1, INVOLVED I BIOSYNTHESIS OF THE ENEDIYNE ANTITUMOR ANTIBIOTIC NEOCARZINOSTATIN. BIOCHEMISTRY V. 48 9590 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL B:402;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SAH A:401;
B:401;
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
3I53 2.08 Å EC: 2.1.1.- CRYSTAL STRUCTURE OF AN O-METHYLTRANSFERASE (NCSB1) FROM NEOCARZINOSTATIN BIOSYNTHESIS IN COMPLEX WITH S-ADENOSYL-L-H OMOCYSTEINE (SAH) STREPTOMYCES CARZINOSTATICUS SUBSP. NEOCARZINOSTATICUS CO-COMPLEX ROSSMANN-LIKE FOLD METHYLTRANSFERASE TRANSFERA
Ref.: MOLECULAR BASIS OF SUBSTRATE PROMISCUITY FOR THE SAM-DEPENDENT O-METHYLTRANSFERASE NCSB1, INVOLVED I BIOSYNTHESIS OF THE ENEDIYNE ANTITUMOR ANTIBIOTIC NEOCARZINOSTATIN. BIOCHEMISTRY V. 48 9590 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 60 families.
1 3I53 - 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 54 families.
1 3I53 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 47 families.
1 1TW2 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 5EEH - P9P C6 H4 Cl N O3 c1cc(c(cc1....
3 5EEG - S8M C14 H20 N10 O3 S c1nc(c2c(n....
4 1TW3 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
5 4WXH - SAH C14 H20 N6 O5 S c1nc(c2c(n....
6 3I53 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 1R00 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
8 1QZZ - SAM C15 H22 N6 O5 S C[S@@+](CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SAH; Similar ligands found: 211
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 DSH 0.692308 0.914286
6 SXZ 0.692308 0.916667
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 ADN 0.573333 0.84058
19 RAB 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 SMM 0.536842 0.88
28 SSA 0.536842 0.712644
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 A 0.529412 0.763158
36 LMS 0.529412 0.694118
37 AMP 0.529412 0.763158
38 5CA 0.525773 0.712644
39 ME8 0.524752 0.8125
40 M2T 0.52439 0.821918
41 6RE 0.523256 0.824324
42 GJV 0.522727 0.813333
43 AAT 0.515789 0.863014
44 LSS 0.515152 0.696629
45 KAA 0.514852 0.727273
46 J7C 0.511364 0.835616
47 A5A 0.510417 0.697674
48 SON 0.505495 0.805195
49 SRP 0.505155 0.805195
50 F0P 0.504505 0.915493
51 54H 0.5 0.681818
52 VMS 0.5 0.681818
53 ADX 0.5 0.694118
54 CA0 0.5 0.769231
55 AMO 0.5 0.805195
56 5AL 0.5 0.779221
57 KH3 0.5 0.866667
58 NVA LMS 0.49505 0.707865
59 AHX 0.49505 0.753086
60 TSB 0.494949 0.689655
61 53H 0.494949 0.674157
62 G5A 0.494737 0.712644
63 ABM 0.494382 0.74359
64 A2D 0.494382 0.74359
65 ZAS 0.494253 0.808219
66 A6D 0.490196 0.759494
67 8QN 0.49 0.779221
68 GEK 0.49 0.956522
69 GAP 0.489583 0.769231
70 AN2 0.48913 0.734177
71 A3S 0.48913 0.884058
72 S4M 0.488889 0.831169
73 SRA 0.488636 0.746835
74 LAD 0.485437 0.810127
75 52H 0.484848 0.674157
76 A12 0.483516 0.759494
77 BA3 0.483516 0.74359
78 AP2 0.483516 0.759494
79 NEC 0.483146 0.788732
80 AOC 0.483146 0.842857
81 Y3J 0.481481 0.768116
82 VRT 0.479167 0.861111
83 50T 0.478723 0.734177
84 B4P 0.478261 0.74359
85 ADP 0.478261 0.74359
86 5AS 0.478261 0.655556
87 AP5 0.478261 0.74359
88 A3N 0.477778 0.830986
89 YSA 0.476636 0.712644
90 XAH 0.476636 0.768293
91 0XU 0.473684 0.897059
92 AT4 0.473118 0.7375
93 WAQ 0.471154 0.807692
94 NSS 0.470588 0.712644
95 5AD 0.468354 0.791045
96 AU1 0.468085 0.725
97 M33 0.468085 0.734177
98 MAO 0.467391 0.797468
99 TXA 0.466667 0.759494
100 NB8 0.466667 0.775
101 A3G 0.466667 0.871429
102 3AM 0.465909 0.727273
103 DAL AMP 0.465347 0.779221
104 8X1 0.465347 0.707865
105 A3T 0.463158 0.842857
106 ATP 0.463158 0.74359
107 HEJ 0.463158 0.74359
108 ACP 0.463158 0.746835
109 7D7 0.4625 0.785714
110 LEU LMS 0.461538 0.688889
111 9ZA 0.460784 0.740741
112 9ZD 0.460784 0.740741
113 5FA 0.458333 0.74359
114 AQP 0.458333 0.74359
115 AR6 0.458333 0.766234
116 APC 0.458333 0.759494
117 APR 0.458333 0.766234
118 PRX 0.458333 0.746835
119 F2R 0.457627 0.75
120 IOT 0.456897 0.761905
121 4AD 0.456311 0.794872
122 PAJ 0.456311 0.722892
123 WSA 0.45614 0.72093
124 YAP 0.453704 0.794872
125 8PZ 0.453704 0.712644
126 FA5 0.453704 0.805195
127 ADP PO3 0.453608 0.763158
128 ADV 0.453608 0.782051
129 NVA 2AD 0.453608 0.849315
130 SAP 0.453608 0.728395
131 AGS 0.453608 0.728395
132 RBY 0.453608 0.782051
133 AD9 0.453608 0.725
134 PTJ 0.45283 0.731707
135 MHZ 0.452632 0.797468
136 00A 0.451923 0.740741
137 A3P 0.451613 0.74026
138 YLP 0.451327 0.771084
139 7MD 0.45045 0.768293
140 ALF ADP 0.45 0.707317
141 ADP ALF 0.45 0.707317
142 2VA 0.447917 0.819444
143 OOB 0.446602 0.779221
144 ANP 0.444444 0.725
145 T99 0.444444 0.7375
146 ACQ 0.444444 0.746835
147 TAT 0.444444 0.7375
148 P5A 0.443396 0.719101
149 7D5 0.443182 0.708861
150 A1R 0.442308 0.7625
151 YLC 0.439655 0.790123
152 2AM 0.438202 0.717949
153 DLL 0.438095 0.779221
154 ARG AMP 0.4375 0.759036
155 A22 0.436893 0.734177
156 D3Y 0.436893 0.859155
157 ATF 0.435644 0.716049
158 MYR AMP 0.435185 0.746988
159 80F 0.434426 0.75
160 SO8 0.434343 0.808219
161 OAD 0.433962 0.769231
162 3UK 0.433962 0.769231
163 TAD 0.433628 0.765432
164 25A 0.432692 0.74359
165 6YZ 0.431373 0.746835
166 VO4 ADP 0.431373 0.734177
167 ADP VO4 0.431373 0.734177
168 9SN 0.431193 0.731707
169 TYM 0.431034 0.805195
170 B5V 0.429907 0.759494
171 PR8 0.429907 0.8
172 ADQ 0.428571 0.746835
173 YLB 0.42735 0.771084
174 9K8 0.425926 0.67033
175 1ZZ 0.425926 0.746988
176 FYA 0.425926 0.779221
177 3OD 0.425926 0.769231
178 PPS 0.425743 0.674419
179 MAP 0.423077 0.707317
180 A2P 0.421053 0.727273
181 4YB 0.421053 0.735632
182 9X8 0.420561 0.75
183 ADP BMA 0.420561 0.746835
184 TYR AMP 0.419643 0.794872
185 5SV 0.419048 0.731707
186 3NZ 0.416667 0.824324
187 YLA 0.416667 0.771084
188 8Q2 0.415254 0.688889
189 A3R 0.415094 0.7625
190 B5Y 0.414414 0.75
191 B5M 0.414414 0.75
192 48N 0.413793 0.753086
193 LPA AMP 0.413793 0.768293
194 AYB 0.413223 0.761905
195 ACK 0.413043 0.710526
196 QQY 0.413043 0.696203
197 BIS 0.412844 0.719512
198 JB6 0.412844 0.7625
199 PAP 0.41 0.730769
200 DQV 0.408696 0.75641
201 OVE 0.408602 0.7125
202 AMP DBH 0.40708 0.746835
203 4UV 0.40708 0.75
204 3AD 0.406977 0.852941
205 AF3 ADP 3PG 0.40678 0.743902
206 OMR 0.40678 0.738095
207 LAQ 0.405172 0.768293
208 A A 0.40367 0.74359
209 7C5 0.403509 0.789474
210 7MC 0.403361 0.75
211 4UU 0.4 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3I53; Ligand: SAH; Similar sites found with APoc: 361
This union binding pocket(no: 1) in the query (biounit: 3i53.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 1LSS NAD 1.20482
2 2DPM SAM 1.40845
3 2A1L PCW 1.50602
4 3HDY FAD 1.50602
5 3HDY GDU 1.50602
6 4ZRN NAD 1.60256
7 4ZRN UPG 1.60256
8 3H8V ATP 1.71233
9 2EJU SAH 1.80723
10 2GN4 NDP 1.80723
11 1ORR NAD 1.80723
12 2GN4 UD1 1.80723
13 5FTW SAH 1.95312
14 2HMT NAI 2.08333
15 6C8R SAH 2.10843
16 4AZW SAM 2.10843
17 5XLX SAH 2.10843
18 1G55 SAH 2.10843
19 6C8R EQV 2.10843
20 3LCV SAM 2.13523
21 5D9X GSH 2.17391
22 4KIB SAH 2.40964
23 5KOK SAH 2.40964
24 5E72 SAM 2.40964
25 6GKV SAH 2.40964
26 1KPH SAH 2.40964
27 1KPG SAH 2.40964
28 3A27 SAM 2.40964
29 5KOK R9T 2.40964
30 2Q1W NAD 2.40964
31 5KOK S9T 2.40964
32 4EUE NAI 2.40964
33 2XOC ADP 2.40964
34 3S1S SAH 2.40964
35 3GDN HBX 2.40964
36 3GDN FAD 2.40964
37 4NTO 1PW 2.41546
38 5ZZA LAB 2.47934
39 6ECU SAH 2.53165
40 6ECW SAH 2.53968
41 3A25 SAM 2.65781
42 4KRG SAH 2.71084
43 6ARJ BW4 2.71084
44 6ARJ SAH 2.71084
45 5JJR SAH 2.71084
46 3EVF GTA 2.71084
47 3EVF SAH 2.71084
48 5DX8 SFG 2.71084
49 4XUC 43G 2.71084
50 4XUC SAM 2.71084
51 5ULP KB1 2.71084
52 5DXA SFG 2.71084
53 5DX1 SFG 2.71084
54 2P41 SAH 2.71084
55 5DX0 SFG 2.71084
56 5DWQ SFG 2.71084
57 2WPF FAD 2.71084
58 2WPF WPF 2.71084
59 4RSL FAD 2.71084
60 6DEN FAD 2.71084
61 6DEN G8A 2.71084
62 6DEN TP9 2.71084
63 4XFR CIT 2.71084
64 4G5H NAP 2.71084
65 4G5H UD7 2.71084
66 4GKV NAD 2.71084
67 5FFF NAP 2.72374
68 2WA2 SAM 2.89855
69 3EVG SAH 2.90909
70 4WGF HX2 2.92683
71 1XCL SAH 2.97872
72 4RVG SAM 3.01205
73 4RVG TYD 3.01205
74 3VSE SAH 3.01205
75 2OG2 MLI 3.01205
76 1SQF SAM 3.01205
77 1V59 NAD 3.01205
78 5JAQ NAI 3.01205
79 2PXX SAH 3.25581
80 5O42 9JW 3.28467
81 5O42 BGC 3.28467
82 5O42 NAD 3.28467
83 1GXU 2HP 3.2967
84 3B9Q MLI 3.31126
85 5E9W SAH 3.31325
86 5E8J SAH 3.31325
87 4OBW SAM 3.31325
88 5T67 JHZ 3.31325
89 5T67 SAH 3.31325
90 2PWY SAH 3.31325
91 1BZL FAD 3.31325
92 1BZL GCG 3.31325
93 5N0J FAD 3.31325
94 5ERG SAM 3.31325
95 2PZM UDP 3.33333
96 2PZM NAD 3.33333
97 2PX8 SAH 3.34572
98 5BW4 SAM 3.37079
99 2Y91 98J 3.39623
100 1SB8 NAD 3.40909
101 1SB8 UD2 3.40909
102 5WQP NAP 3.4188
103 1EB9 HBA 3.43511
104 1NW5 SAM 3.44828
105 1Q0S SAH 3.4749
106 1TPY SAH 3.48432
107 1P1C SAH 3.51759
108 1XTP SAI 3.54331
109 1VE3 SAM 3.61446
110 3BXO SAM 3.61446
111 5FUB SAH 3.61446
112 5THY SAH 3.61446
113 5THZ SAH 3.61446
114 3LKZ SFG 3.61446
115 4YUW 4JU 3.61446
116 2O07 SPD 3.61446
117 2O07 MTA 3.61446
118 6F97 FAD 3.61446
119 4YUW S4M 3.61446
120 1DL5 SAH 3.61446
121 5KMS FAD 3.61446
122 1I8T FAD 3.61446
123 5WP4 SAH 3.66599
124 1Z3C SA8 3.69128
125 2ZFU SAH 3.72093
126 2A14 SAH 3.80228
127 1T9D FAD 3.84047
128 1T9D PYD 3.84047
129 1T9D 1MM 3.84047
130 1T9D P25 3.84047
131 5WKC FAD 3.84047
132 3GCZ SAM 3.91566
133 5FWA J7C 3.91566
134 4Z24 FAD 3.91566
135 1GY8 NAD 3.91566
136 2IVD FAD 3.91566
137 1ELI PYC 3.91566
138 3FZG SAM 4
139 3GEG NAD 4.04858
140 1Z0N BCD 4.16667
141 3MQ2 SAH 4.21687
142 1RJW ETF 4.21687
143 5F8F SFG 4.21687
144 5HJM MTA 4.21687
145 4DMG SAM 4.21687
146 5F2K OCA 4.21687
147 5F2K SAH 4.21687
148 4UCI SAM 4.21687
149 1YBH FAD 4.21687
150 5XNC MTA 4.21687
151 1G60 SAM 4.23077
152 5GVR LMR 4.2735
153 2ZIF SAM 4.3771
154 4KRI SAH 4.38799
155 3LU1 NAD 4.3956
156 5MGZ SAH 4.51807
157 3G2O SAM 4.51807
158 5X62 SAH 4.51807
159 2JHP SAH 4.51807
160 5YJF SAH 4.51807
161 5YJF 8WO 4.51807
162 2I7C AAT 4.51807
163 2PT9 2MH 4.51807
164 2PT9 S4M 4.51807
165 5U8U FAD 4.51807
166 1L1E SAH 4.52962
167 4NEC SAH 4.54545
168 3MAG SAH 4.56026
169 3DXY SAM 4.58716
170 1L3I SAH 4.6875
171 3MCT SAH 4.7138
172 5URY PAM 4.79452
173 1T27 PCW 4.79705
174 1JPA ANP 4.80769
175 5MW4 5JU 4.81928
176 3QOX SAH 4.81928
177 5YJI 8WO 4.81928
178 5YJI SAH 4.81928
179 6B3A SAM 4.81928
180 3CHT 4NB 4.81928
181 4HXY NDP 4.81928
182 1R18 SAH 4.84582
183 5K7U SAM 4.88889
184 4II2 ATP 4.90798
185 4PIO AVI 4.95356
186 4PIO SAH 4.95356
187 1U7T TDT 4.98084
188 2GWH PCI 5.03356
189 1HTW ADP 5.06329
190 3MB5 SAM 5.09804
191 4D5G TPP 5.12048
192 4D5G FAD 5.12048
193 3PT9 SAH 5.12048
194 1R37 NAD 5.12048
195 2AWN ADP 5.12048
196 3U31 NAD 5.17241
197 5JE0 AZ8 5.26316
198 5JE0 SAH 5.26316
199 5IL1 SAM 5.33333
200 1XKQ NDP 5.35714
201 2ZWI C5P 5.42169
202 4PSR FUL 5.42169
203 4RDI ATP 5.42169
204 4D79 ATP 5.42169
205 4YNU FAD 5.42169
206 4YNU LGC 5.42169
207 2VT3 ATP 5.42169
208 4RDH AMP 5.42169
209 1UDB UFG 5.42169
210 1UDB NAD 5.42169
211 2WME NAP 5.42169
212 5WGR FAD 5.42169
213 3HVJ 705 5.42986
214 4LWP SAH 5.43478
215 5BJX NAD 5.46448
216 5BJX UDP 5.46448
217 4RPL FAD 5.51378
218 4RPL 3UC 5.51378
219 2EWM NAD 5.62249
220 3KIF GDL 5.66038
221 2DTX BMA 5.68182
222 2UYQ SAM 5.72289
223 6BQ6 TER 5.74018
224 3BGD SAH 5.76923
225 3BGD PM6 5.76923
226 6CI9 NAP 5.79151
227 4X7Y SAH 5.83942
228 3H2B SAH 5.91133
229 3JWH SAH 6.0241
230 1EFV FAD 6.0241
231 1EFV AMP 6.0241
232 1GTE FAD 6.0241
233 5TTJ FAD 6.0241
234 5UAO FAD 6.0241
235 1R6D NAD 6.3253
236 1R6D DAU 6.3253
237 1FEC FAD 6.3253
238 5KVA SAM 6.47482
239 1F3L SAH 6.54206
240 2OBF SAH 6.57439
241 2OBF F83 6.57439
242 5DNK SAH 6.62651
243 4DCM SAM 6.62651
244 3U4C NDP 6.62651
245 1E3W NAD 6.62651
246 1E6W NAD 6.62651
247 6BWL NAD 6.70732
248 5GM1 SAH 6.73401
249 1JG3 ADN 6.80851
250 4CS9 AMP 6.87831
251 2VDV SAM 6.92771
252 5YF1 8V0 6.92771
253 5YF1 SFG 6.92771
254 5W7M SAH 6.92771
255 6GFK SAH 7.17131
256 3ELW SAM 7.22892
257 3ELW GP3 7.22892
258 6FDF SAH 7.22892
259 3OU2 SAH 7.33945
260 5CUQ NSC 7.49064
261 3PFG SAM 7.53012
262 3PFG TLO 7.53012
263 2YX1 SFG 7.53012
264 2BZG SAH 7.75862
265 5M37 9SZ 7.82609
266 3T7S SAM 7.83133
267 6ECT SAM 7.83133
268 5UFN SAH 7.83133
269 6B92 SAH 7.83133
270 5K0A FAD 7.83133
271 5M36 9SZ 7.86026
272 3MYZ TFX 8
273 5FA8 SAM 8.07453
274 5C9J DAO 8.08081
275 1OC2 NAD 8.13253
276 1OC2 TDX 8.13253
277 2HNK SAH 8.3682
278 5MPT SAH 8.43373
279 1BC5 SAH 8.55019
280 6DUB SAH 8.55856
281 5E1M PRO PRO LYS ARG ILE ALA 8.71369
282 5E1M SAH 8.71369
283 1I1N SAH 8.73494
284 4N49 SAM 8.73494
285 4UXM BE7 8.73494
286 5N5D SAM 8.84956
287 4POO SAM 9
288 4YMH SAH 9.03614
289 2VPY MGD 9.03614
290 1OFZ FUL 9.33735
291 5LOG SAH 9.44206
292 3P2E SAH 9.63855
293 1JQ3 AAT 9.63855
294 2AQJ TRP 9.63855
295 2AQJ FAD 9.63855
296 1Y8Q ATP 9.63855
297 4TQG NDP 9.90712
298 5Z3I ADE 10.566
299 3Q87 SAM 10.5882
300 2AOT SAH 10.8434
301 1JQD HSM 10.8434
302 3L9W AMP 10.8434
303 1JQD SAH 10.8434
304 3C6K SPD 10.8434
305 3C6K MTA 10.8434
306 4V3C C 10.8434
307 2WET FAD 11.1446
308 5L95 AMP 11.25
309 2HYQ MAN MAN 11.4754
310 2HYR BGC GLC 11.4754
311 2GUD MAN 11.4754
312 2NU5 NAG 11.4754
313 2NUO BGC 11.4754
314 5W7K SAH 11.5385
315 1WMA AB3 11.5942
316 1WMA NDP 11.5942
317 6F5Z SAH 11.6883
318 1QAN SAH 11.8852
319 5BSZ SAH 12.4
320 4BLW AMP 12.8028
321 4BLW SAH 12.8028
322 3FPF TNA 13.253
323 3FPF MTA 13.253
324 1U2Z SAH 13.253
325 5GWX SAM 13.5542
326 5GWX SAR 13.5542
327 2XVM SAH 13.5678
328 1UWK URO 13.8554
329 1UWK NAD 13.8554
330 1UAY ADN 14.0496
331 5JGL SAM 14.1566
332 2IV2 MGD 14.759
333 4PNE SAH 15.6627
334 1O97 FAD 16.25
335 1O97 AMP 16.25
336 5U19 SAH 16.8675
337 5U19 827 16.8675
338 4R6W PC 17.1687
339 4R6W SAH 17.1687
340 4A59 AMP 17.1687
341 4A6D SAM 21.3855
342 5LWY OLB 21.8487
343 1FP2 SAH 29.5181
344 1FP2 HMO 29.5181
345 4GQB 0XU 31.8182
346 5W7R SAH 34.0361
347 5W7R 9Z7 34.0361
348 5FA5 MTA 35
349 4E70 N7I 37.9518
350 3TKY SAH 40.9639
351 1KYZ SAH 40.9639
352 1KYZ FER 40.9639
353 3LST SAH 42.2414
354 1FP1 SAH 43.3735
355 1ZGA SAH 44.8795
356 5ICE SAH 45.4819
357 5ICE 2H4 45.4819
358 3P9C SAH 46.6867
359 3GWZ SAH 46.988
360 3GXO SAH 46.988
361 6C5B SAH 48.7952
Pocket No.: 2; Query (leader) PDB : 3I53; Ligand: SAH; Similar sites found with APoc: 238
This union binding pocket(no: 2) in the query (biounit: 3i53.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 5A9A UTP 1.23457
2 5BVA FAD 1.50602
3 3HDY FDA 1.50602
4 3G5S FAD 1.50602
5 3GF4 UPG 1.50602
6 3GF4 FAD 1.50602
7 1FL2 FAD 1.6129
8 1RLZ NAD 1.62602
9 2Z3Y F2N 1.80723
10 5ZYN FAD 1.80723
11 4ITU NAI 1.80723
12 4ITU 1HS 1.80723
13 1RM0 D6P 1.80723
14 5G3U ITW 1.80723
15 5G3U FDA 1.80723
16 3I6I NDP 2.02312
17 3O03 NAP 2.10843
18 1RKX NAD 2.10843
19 6GAR FAD 2.10843
20 4D7E FAD 2.10843
21 2D3N GLC GLC GLC 2.10843
22 6DNT NAD 2.10843
23 2RH4 EMO 2.16606
24 2R4J 13P 2.19561
25 2R4J FAD 2.19561
26 4NZ6 DLY 2.23642
27 3OZ2 FAD 2.267
28 5FEU NAP 2.4055
29 5HSA FAS 2.40964
30 4TXI FAD 2.40964
31 1LLU NAD 2.40964
32 1H2B NAJ 2.40964
33 3EYA FAD 2.40964
34 1PJS NAD 2.40964
35 1BDB NAD 2.52708
36 2EXX NAP 2.61438
37 6HOY TSN 2.64901
38 6HOY AR6 2.64901
39 5GT9 NAP 2.6616
40 1XHL NDP 2.6936
41 2NVK FAD 2.71084
42 1LVL FAD 2.71084
43 3KLJ FAD 2.71084
44 1LVL NAD 2.71084
45 1NAA 6FA 2.71084
46 1NAA ABL 2.71084
47 5GSN FAD 2.71084
48 1ZK7 FAD 2.71084
49 1RPN NDP 2.71084
50 5OC1 FAD 2.71084
51 5FFF 5XC 2.72374
52 4CNO 9PY 2.77778
53 3ZV6 4HB 2.84698
54 3ZV6 NAD 2.84698
55 4CNK FAD 3.01205
56 1WVG APR 3.01205
57 2OEM 1AE 3.01205
58 2XVE FAD 3.01205
59 1S7G APR 3.01205
60 2XVF FAD 3.01205
61 1S7G NAD 3.01205
62 1V59 FAD 3.01205
63 4USQ FAD 3.01205
64 4RF2 NAP 3.01205
65 3GD4 FAD 3.01205
66 4BV6 FAD 3.01205
67 6FP4 FAD 3.01205
68 3WMX NAD 3.01205
69 2BRY FAD 3.01811
70 4FN4 NAD 3.14961
71 2Q0L FAD 3.21543
72 1KEW NAD 3.31325
73 3TKA SAM 3.31325
74 5NMX NAP 3.31325
75 5NMX FAD 3.31325
76 3NKS FAD 3.31325
77 1NJR XYL 3.52113
78 5U75 SIA GAL NDG FUC 3.57143
79 4MDH NAD 3.59281
80 5MDH NAD 3.6036
81 1BXK NAD 3.61446
82 3LZW NAP 3.61446
83 3LZW FAD 3.61446
84 1GPE FAD 3.61446
85 4NTD FAD 3.61446
86 3AYI HCI 3.61446
87 3AYI FAD 3.61446
88 4PLG NAI 3.61446
89 4PLG OXM 3.61446
90 5L13 6ZE 3.61446
91 4URF NAD 3.62903
92 2A92 NAI 3.73832
93 3K1X DBX 3.84615
94 2CUL FAD 3.87931
95 5LW0 AR6 3.8961
96 1RSG FAD 3.91566
97 3AB1 FAD 3.91566
98 1YY5 FAD 3.91566
99 4HA6 FAD 3.91566
100 2UXR ICT 3.91566
101 1HDR NAD 3.91566
102 3QFA FAD 3.91566
103 3Q9T FAY 3.91566
104 2Q46 NAP 3.95257
105 3QWI CUE 4.07407
106 3QWI NAP 4.07407
107 1H82 FAD 4.21687
108 1H82 GZZ 4.21687
109 2AE2 NAP 4.21687
110 2AE2 PTO 4.21687
111 4UP4 GAL NAG 4.21687
112 4MIG G3F 4.21687
113 1D4D FAD 4.21687
114 2DKH FAD 4.21687
115 2DKH 3HB 4.21687
116 2E5V FAD 4.21687
117 3RHJ NAP 4.21687
118 5MB4 NAG 4.51807
119 3QVP FAD 4.51807
120 4YKG FAD 4.51807
121 1JNR FAD 4.66667
122 5THQ NDP 4.77941
123 2VVL FAD 4.81928
124 1GET NAP 4.81928
125 1GET FAD 4.81928
126 2VVM FAD 4.81928
127 2YG3 FAD 4.81928
128 5MBX FAD 4.81928
129 5MBX SP5 4.81928
130 5BRT FAD 4.81928
131 5BRT CH9 4.81928
132 1PVN MZP 4.81928
133 1DJL NAP 4.83092
134 1VL8 NAP 4.86891
135 5Z2L NDP 4.89796
136 1PNO NAP 5
137 1JA9 NDP 5.10949
138 4W6Z 8ID 5.12048
139 4M52 M52 5.12048
140 5JWC FAD 5.12048
141 4M52 FAD 5.12048
142 2A8X FAD 5.12048
143 6GNF ADP 5.12048
144 4JNA FAD 5.12048
145 3LAD FAD 5.12048
146 3SJ7 NDP 5.15873
147 5TWB FAD 5.23256
148 1G0N PHH 5.30035
149 1G0N NDP 5.30035
150 1QO8 FAD 5.42169
151 2WOX NDP 5.42169
152 2Z4T C5P 5.42169
153 3WDM ADN 5.42169
154 3ABI NAD 5.47945
155 6F9Q NAD 5.51471
156 5OJ7 AR6 5.59441
157 3ICR FAD 5.61225
158 3ICT FAD 5.61225
159 1ZBQ NAD 5.72289
160 1YC5 NCA 5.72289
161 4HSU FAD 6.0241
162 4GUT FAD 6.0241
163 4GUS FAD 6.0241
164 1Q9I FAD 6.0241
165 1Q9I TEO 6.0241
166 4FWE FAD 6.0241
167 1GZ6 NAI 6.0241
168 1AOE NDP 6.0241
169 1AOE GW3 6.0241
170 3HB5 NAP 6.0241
171 1EDO NAP 6.14754
172 2QQF A1R 6.16883
173 2OD9 A1R NCA 6.16883
174 1BGQ RDC 6.22222
175 4YAG NAI 6.22837
176 3K7M FAD 6.3253
177 5J60 FAD 6.3253
178 2BD0 NAP 6.3253
179 3E1T FAD 6.3253
180 4X9M FAD 6.3253
181 1SZD APR 6.39731
182 5E5U MLI 6.53266
183 2IHK CSF 6.62651
184 4REP FAD 6.62651
185 1PN0 FAD 6.62651
186 1PN0 IPH 6.62651
187 4XT8 NAP 6.92771
188 2OOR TXP 6.92771
189 2IID PHE 6.92771
190 2IID FAD 6.92771
191 1REO FAD 6.92771
192 1NM5 NAP 6.92771
193 1NM5 NAD 6.92771
194 1ZEM NAD 6.92771
195 3KO0 TFP 6.93069
196 1ZK4 NAP 7.17131
197 1X87 NAD 7.22892
198 1M2K APR 7.22892
199 3AD8 NAD 7.22892
200 2QA1 FAD 7.22892
201 2JB2 FAD 8.13253
202 2JB2 PHE 8.13253
203 4XQC NAD 8.43373
204 5EB4 FAD 8.43373
205 5TS5 FAD 8.43373
206 2GAG NAD 8.43373
207 4XQC 13D 8.43373
208 3KV8 FAH 8.63309
209 6GAS FAD 8.73494
210 4ADC PLP 8.73494
211 5OJI NAP 8.84615
212 5OJI ISN 8.84615
213 4KM2 ATR 8.93855
214 6H3O FAD 9.03614
215 1AE1 NAP 9.15751
216 1H8P PC 9.17431
217 3UYK 0CX 9.63855
218 2Q7V FAD 9.84615
219 2CIG 1DG 10.0629
220 1XSE NDP 10.1695
221 3L9W GSH 10.8434
222 1V5F TPP 10.8434
223 1V5F FAD 10.8434
224 1I2B USQ 10.8434
225 1I2B UPG 10.8434
226 1I2B NAD 10.8434
227 1I9G SAM 12.0482
228 5EJ2 NAD 12.0482
229 2F5Z FAD 12.5
230 1PR9 NAP 13.9344
231 1WUU GLA 15.0602
232 1EU1 MGD 15.0602
233 2C7G FAD 15.6627
234 2C7G ODP 15.6627
235 4B63 ORN 18.0723
236 4B63 NAP 18.0723
237 4B63 FAD 18.0723
238 3OID NDP 18.9759
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