Receptor
PDB id Resolution Class Description Source Keywords
1XCJ 2 Å EC: 2.1.1.2 GUANIDINOACETATE METHYLTRANSFERASE CONTAINING S-ADENOSYLHOMO AND GUANIDINOACETATE RATTUS NORVEGICUS GUANIDINOACETATE METHYLTRANSFERASE METHYLTRANSFERASE S- ADENOSYLHOMOCYSTEINE GUANIDINOACETATE TRANSFERASE
Ref.: CATALYTIC MECHANISM OF GUANIDINOACETATE METHYLTRANS CRYSTAL STRUCTURES OF GUANIDINOACETATE METHYLTRANSF TERNARY COMPLEXES. BIOCHEMISTRY V. 43 14385 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NMG A:237;
Valid;
none;
submit data
117.107 C3 H7 N3 O2 [H]/N...
SAH A:236;
Valid;
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
1XCL 2 Å EC: 2.1.1.2 GUANIDINOACETATE METHYLTRANSFERASE CONTAINING S-ADENOSYLHOMO AND GUANIDINE RATTUS NORVEGICUS GUANIDINOACETATE METHYLTRANSFERASE METHYLTRANSFERASE S- ADENOSYLHOMOCYSTEINE GUANIDINE TRANSFERASE
Ref.: CATALYTIC MECHANISM OF GUANIDINOACETATE METHYLTRANS CRYSTAL STRUCTURES OF GUANIDINOACETATE METHYLTRANSF TERNARY COMPLEXES. BIOCHEMISTRY V. 43 14385 2004
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1XCJ - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 1XCL - SAH C14 H20 N6 O5 S c1nc(c2c(n....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1KHH - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 1P1C - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 1XCJ - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 1XCL - SAH C14 H20 N6 O5 S c1nc(c2c(n....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1KHH - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 1P1C - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 1XCJ - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 1XCL - SAH C14 H20 N6 O5 S c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NMG; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 NMG 1 1
2 GVA 0.424242 0.794118
Ligand no: 2; Ligand: SAH; Similar ligands found: 256
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 U4Y 0.64 0.956522
11 SFG 0.635294 0.954545
12 SA8 0.62069 0.915493
13 EEM 0.617977 0.890411
14 MTA 0.615385 0.869565
15 SAI 0.613636 0.955882
16 S7M 0.586957 0.916667
17 36A 0.586538 0.90411
18 K15 0.583333 0.878378
19 ADN 0.573333 0.84058
20 RAB 0.573333 0.84058
21 XYA 0.573333 0.84058
22 62X 0.572917 0.855263
23 5CD 0.571429 0.852941
24 0UM 0.5625 0.876712
25 5N5 0.558442 0.84058
26 A4D 0.551282 0.867647
27 KYE 0.54902 0.866667
28 SAM 0.537634 0.916667
29 SSA 0.536842 0.712644
30 SMM 0.536842 0.88
31 KB1 0.534653 0.902778
32 A5D 0.532609 0.857143
33 SIB 0.53125 0.928571
34 EP4 0.530864 0.819444
35 DSZ 0.530612 0.732558
36 GSU 0.53 0.752941
37 LMS 0.529412 0.694118
38 AMP 0.529412 0.763158
39 A 0.529412 0.763158
40 5CA 0.525773 0.712644
41 ME8 0.524752 0.8125
42 M2T 0.52439 0.821918
43 6RE 0.523256 0.824324
44 GJV 0.522727 0.813333
45 OZP 0.518519 0.915493
46 AAT 0.515789 0.863014
47 LSS 0.515152 0.696629
48 KAA 0.514852 0.727273
49 KXW 0.514019 0.915493
50 NWW 0.5125 0.80597
51 J7C 0.511364 0.835616
52 KG4 0.51087 0.769231
53 A5A 0.510417 0.697674
54 AMP MG 0.505747 0.773333
55 SON 0.505495 0.805195
56 SRP 0.505155 0.805195
57 F0P 0.504505 0.915493
58 KH3 0.5 0.866667
59 HY8 0.5 0.890411
60 CA0 0.5 0.769231
61 AMO 0.5 0.805195
62 54H 0.5 0.681818
63 ADX 0.5 0.694118
64 5AL 0.5 0.779221
65 VMS 0.5 0.681818
66 N37 0.495495 0.9
67 HZ2 0.495413 0.890411
68 NVA LMS 0.49505 0.707865
69 AHX 0.49505 0.753086
70 TSB 0.494949 0.689655
71 53H 0.494949 0.674157
72 G5A 0.494737 0.712644
73 45A 0.494382 0.74359
74 ABM 0.494382 0.74359
75 A2D 0.494382 0.74359
76 ZAS 0.494253 0.808219
77 A6D 0.490196 0.759494
78 GEK 0.49 0.956522
79 8QN 0.49 0.779221
80 GAP 0.489583 0.769231
81 A3S 0.48913 0.884058
82 AN2 0.48913 0.734177
83 S4M 0.488889 0.831169
84 SRA 0.488636 0.746835
85 EU9 0.486486 0.825
86 LAD 0.485437 0.810127
87 52H 0.484848 0.674157
88 V2G 0.484536 0.753086
89 BA3 0.483516 0.74359
90 AP2 0.483516 0.759494
91 A12 0.483516 0.759494
92 AOC 0.483146 0.842857
93 NEC 0.483146 0.788732
94 Y3J 0.481481 0.768116
95 VRT 0.479167 0.861111
96 50T 0.478723 0.734177
97 AP5 0.478261 0.74359
98 ADP 0.478261 0.74359
99 5AS 0.478261 0.655556
100 B4P 0.478261 0.74359
101 Q34 0.477876 0.866667
102 Q2M 0.477876 0.916667
103 A3N 0.477778 0.830986
104 YSA 0.476636 0.712644
105 XAH 0.476636 0.768293
106 8LH 0.474747 0.759494
107 V47 0.474747 0.882353
108 0XU 0.473684 0.897059
109 AT4 0.473118 0.7375
110 ADP MG 0.473118 0.763158
111 ADP BEF 0.473118 0.763158
112 J4G 0.471154 0.818182
113 WAQ 0.471154 0.807692
114 NSS 0.470588 0.712644
115 8LE 0.469388 0.75
116 5AD 0.468354 0.791045
117 AU1 0.468085 0.725
118 M33 0.468085 0.734177
119 MAO 0.467391 0.797468
120 NB8 0.466667 0.775
121 A3G 0.466667 0.871429
122 N5O 0.466667 0.857143
123 TXA 0.466667 0.759494
124 3AM 0.465909 0.727273
125 Q2V 0.465517 0.902778
126 QA7 0.465347 0.75
127 8X1 0.465347 0.707865
128 DAL AMP 0.465347 0.779221
129 8LQ 0.465347 0.782051
130 A3T 0.463158 0.842857
131 ATP 0.463158 0.74359
132 ACP 0.463158 0.746835
133 HEJ 0.463158 0.74359
134 7D7 0.4625 0.785714
135 QXP 0.460784 0.697674
136 9ZA 0.460784 0.740741
137 9ZD 0.460784 0.740741
138 APR 0.458333 0.766234
139 5FA 0.458333 0.74359
140 PRX 0.458333 0.746835
141 APC 0.458333 0.759494
142 AQP 0.458333 0.74359
143 AR6 0.458333 0.766234
144 F2R 0.457627 0.75
145 R2V 0.457143 0.697674
146 IOT 0.456897 0.761905
147 N5A 0.456522 0.855072
148 PAJ 0.456311 0.722892
149 4AD 0.456311 0.794872
150 WSA 0.45614 0.72093
151 HQG 0.455446 0.75641
152 NWQ 0.454545 0.782609
153 Q2P 0.453782 0.866667
154 8PZ 0.453704 0.712644
155 FA5 0.453704 0.805195
156 AGS 0.453608 0.728395
157 APC MG 0.453608 0.766234
158 RBY 0.453608 0.782051
159 ATP MG 0.453608 0.763158
160 AD9 0.453608 0.725
161 ADV 0.453608 0.782051
162 NVA 2AD 0.453608 0.849315
163 ADP PO3 0.453608 0.763158
164 PTJ 0.45283 0.731707
165 MHZ 0.452632 0.797468
166 00A 0.451923 0.740741
167 A3P 0.451613 0.74026
168 YLP 0.451327 0.771084
169 7MD 0.45045 0.768293
170 ALF ADP 0.45 0.707317
171 BEF ADP 0.44898 0.74359
172 2VA 0.447917 0.819444
173 H1Q 0.447917 0.753247
174 LEU LMS 0.447619 0.724138
175 QXG 0.447619 0.689655
176 OOB 0.446602 0.779221
177 ACQ 0.444444 0.746835
178 T99 0.444444 0.7375
179 TAT 0.444444 0.7375
180 ANP 0.444444 0.725
181 P5A 0.443396 0.719101
182 7D5 0.443182 0.708861
183 A1R 0.442308 0.7625
184 YLC 0.439655 0.790123
185 2AM 0.438202 0.717949
186 DLL 0.438095 0.779221
187 ARG AMP 0.4375 0.759036
188 KY2 0.436893 0.84
189 D3Y 0.436893 0.859155
190 A22 0.436893 0.734177
191 ANP MG 0.435644 0.734177
192 VO4 ADP 0.435644 0.725
193 ATF 0.435644 0.716049
194 MYR AMP 0.435185 0.746988
195 80F 0.434426 0.75
196 SO8 0.434343 0.808219
197 OAD 0.433962 0.769231
198 3UK 0.433962 0.769231
199 TAD 0.433628 0.765432
200 25A 0.432692 0.74359
201 6YZ 0.431373 0.746835
202 9SN 0.431193 0.731707
203 TYM 0.431034 0.805195
204 PR8 0.429907 0.8
205 B5V 0.429907 0.759494
206 KYB 0.428571 0.84
207 ADQ 0.428571 0.746835
208 YLB 0.42735 0.771084
209 1ZZ 0.425926 0.746988
210 9K8 0.425926 0.67033
211 3OD 0.425926 0.769231
212 FYA 0.425926 0.779221
213 PPS 0.425743 0.674419
214 JNT 0.424528 0.746835
215 B1U 0.423423 0.638298
216 MAP 0.423077 0.707317
217 4YB 0.421053 0.735632
218 A2P 0.421053 0.727273
219 9X8 0.420561 0.75
220 ADP BMA 0.420561 0.746835
221 OZV 0.419048 0.74359
222 5SV 0.419048 0.731707
223 YLA 0.416667 0.771084
224 3NZ 0.416667 0.824324
225 NX8 0.415842 0.875
226 KL2 0.41573 0.692308
227 8Q2 0.415254 0.688889
228 A3R 0.415094 0.7625
229 B5M 0.414414 0.75
230 B5Y 0.414414 0.75
231 LPA AMP 0.413793 0.768293
232 48N 0.413793 0.753086
233 AYB 0.413223 0.761905
234 ACK 0.413043 0.710526
235 QQY 0.413043 0.696203
236 JB6 0.412844 0.7625
237 BIS 0.412844 0.719512
238 K2H 0.411215 0.797297
239 PAP 0.41 0.730769
240 KY5 0.409091 0.887324
241 DQV 0.408696 0.75641
242 OVE 0.408602 0.7125
243 4UV 0.40708 0.75
244 AMP DBH 0.40708 0.746835
245 3AD 0.406977 0.852941
246 OMR 0.40678 0.738095
247 AF3 ADP 3PG 0.40678 0.743902
248 K38 0.405405 0.797297
249 LAQ 0.405172 0.768293
250 K2K 0.40367 0.875
251 7C5 0.403509 0.789474
252 7MC 0.403361 0.75
253 K3K 0.401786 0.797297
254 KOY 0.401709 0.847222
255 NWZ 0.4 0.861111
256 4UU 0.4 0.75
Similar Ligands (3D)
Ligand no: 1; Ligand: NMG; Similar ligands found: 422
No: Ligand Similarity coefficient
1 SIN 1.0000
2 FUM 0.9994
3 HX2 0.9935
4 SHF 0.9885
5 MAE 0.9861
6 4MV 0.9776
7 MLI 0.9756
8 H95 0.9719
9 CRN 0.9695
10 ASP 0.9694
11 MLA 0.9680
12 HDA 0.9655
13 CMS 0.9652
14 LMR 0.9642
15 OAA 0.9635
16 ABU 0.9634
17 DMG 0.9623
18 MLT 0.9599
19 ASN 0.9596
20 IVA 0.9580
21 P2D 0.9552
22 TEO 0.9550
23 IOM 0.9542
24 IQ0 0.9541
25 OKG 0.9540
26 UGC 0.9539
27 NXA 0.9526
28 PRO 0.9518
29 TZC 0.9506
30 AAE 0.9501
31 LEU 0.9500
32 MLM 0.9489
33 VAL 0.9475
34 KIV 0.9470
35 TFB 0.9461
36 THR 0.9455
37 IZC 0.9441
38 SSN 0.9440
39 PGA 0.9436
40 PYC 0.9415
41 BEN 0.9410
42 JBN 0.9408
43 3PP 0.9400
44 COI 0.9399
45 X1S 0.9395
46 GLU 0.9391
47 MAK 0.9386
48 THE 0.9386
49 273 0.9384
50 IPU 0.9383
51 LEA 0.9376
52 PBC 0.9373
53 2PC 0.9373
54 DAS 0.9367
55 BAM 0.9362
56 ALO 0.9359
57 40E 0.9352
58 HCS 0.9346
59 EHM 0.9343
60 BEZ 0.9340
61 PAE 0.9335
62 ITN 0.9334
63 3HL 0.9333
64 DPR 0.9318
65 JYD 0.9309
66 PCA 0.9307
67 CYS 0.9305
68 URP 0.9302
69 CP 0.9301
70 NIO 0.9297
71 69O 0.9294
72 VKC 0.9283
73 DSN 0.9277
74 9X7 0.9275
75 HSM 0.9274
76 TZL 0.9274
77 FQI 0.9272
78 ISZ 0.9267
79 AKB 0.9267
80 GUA 0.9262
81 MUC 0.9260
82 NCA 0.9259
83 GLY GLY 0.9253
84 C5J 0.9252
85 XBT 0.9247
86 ILE 0.9247
87 AC5 0.9245
88 PUT 0.9241
89 1GP 0.9241
90 6PC 0.9240
91 OPE 0.9240
92 2KT 0.9240
93 SER 0.9234
94 PEP 0.9234
95 3HR 0.9226
96 6NA 0.9225
97 XUL 0.9222
98 PZA 0.9220
99 ABN 0.9219
100 HSE 0.9214
101 UY7 0.9212
102 JZ5 0.9209
103 DAV 0.9204
104 DBB 0.9201
105 GLL 0.9197
106 MRZ 0.9197
107 PAH 0.9197
108 HTX 0.9189
109 UYA 0.9188
110 7VD 0.9186
111 SYN 0.9184
112 DE2 0.9182
113 T2C 0.9179
114 NBE 0.9177
115 YCP 0.9173
116 3PY 0.9172
117 FOA 0.9171
118 CSS 0.9171
119 PG3 0.9168
120 98J 0.9166
121 1DQ 0.9165
122 1SP 0.9162
123 TP5 0.9161
124 5FX 0.9160
125 2MH 0.9158
126 BP9 0.9156
127 BNS 0.9153
128 23W 0.9153
129 S0H 0.9151
130 2RH 0.9149
131 PRS 0.9148
132 SNE 0.9147
133 4JL 0.9146
134 QSC 0.9146
135 DGY 0.9145
136 BUB 0.9144
137 192 0.9139
138 DYA 0.9138
139 4JU 0.9131
140 HYP 0.9131
141 9YL 0.9131
142 BXO 0.9130
143 282 0.9128
144 HZP 0.9127
145 G3P 0.9121
146 TAR 0.9118
147 TLA 0.9115
148 2CO 0.9115
149 MPD 0.9110
150 SMV 0.9109
151 HL5 0.9106
152 FBJ 0.9106
153 QFH 0.9105
154 SAT 0.9104
155 TB6 0.9104
156 HV2 0.9101
157 A8C 0.9101
158 O8Y 0.9100
159 VAH 0.9099
160 1DU 0.9097
161 2RA 0.9096
162 SRT 0.9094
163 23B 0.9094
164 LER 0.9092
165 M58 0.9091
166 DAB 0.9089
167 C21 0.9087
168 FLA 0.9086
169 C2N 0.9085
170 SPA 0.9084
171 POP 0.9074
172 CIZ 0.9074
173 PGH 0.9074
174 PZI 0.9073
175 BUA 0.9073
176 IHG 0.9072
177 NVA 0.9071
178 AMC 0.9066
179 BML 0.9065
180 AKG 0.9064
181 PPV 0.9063
182 ETX 0.9061
183 ZBT 0.9061
184 GOL 0.9061
185 0V5 0.9058
186 MZ0 0.9058
187 HBA 0.9057
188 RSO 0.9056
189 HE2 0.9053
190 APY 0.9053
191 SPV 0.9052
192 PPR 0.9052
193 AL0 0.9051
194 QY9 0.9051
195 DTL 0.9050
196 BAL 0.9049
197 SS2 0.9049
198 PRI 0.9047
199 R2B 0.9044
200 GP9 0.9043
201 OHG 0.9039
202 5AC 0.9038
203 03W 0.9036
204 PYJ 0.9031
205 4CH 0.9029
206 B24 0.9029
207 2HE 0.9025
208 PCT 0.9021
209 XYL 0.9019
210 RB5 0.9019
211 DXX 0.9017
212 2AS 0.9016
213 VGL 0.9014
214 9X6 0.9013
215 NVI 0.9013
216 MEU 0.9009
217 ACH 0.9008
218 A3B 0.9006
219 POA 0.9004
220 JZ7 0.9004
221 SKG 0.9004
222 7N0 0.9001
223 LLQ 0.9000
224 GLN 0.9000
225 MZW 0.8998
226 M6W 0.8998
227 XAP 0.8997
228 FPI 0.8996
229 HSO 0.8994
230 HBX 0.8992
231 3V4 0.8987
232 KG7 0.8986
233 XLS 0.8985
234 GG6 0.8985
235 MET 0.8985
236 HIS 0.8984
237 AC0 0.8984
238 BU4 0.8984
239 GZ3 0.8984
240 ICF 0.8983
241 1DV 0.8982
242 FCN 0.8980
243 BVC 0.8980
244 LTL 0.8979
245 HUI 0.8978
246 MRY 0.8976
247 IT2 0.8975
248 4VP 0.8974
249 4HA 0.8971
250 HY1 0.8970
251 PAC 0.8968
252 2HA 0.8966
253 3SL 0.8965
254 13P 0.8963
255 RSF 0.8960
256 PEA 0.8960
257 7BC 0.8959
258 DGL 0.8958
259 8X3 0.8957
260 ODV 0.8957
261 G3H 0.8956
262 BUQ 0.8951
263 4CS 0.8950
264 DCL 0.8949
265 DCY 0.8949
266 1KA 0.8946
267 HIU 0.8942
268 PEQ 0.8942
269 7WG 0.8940
270 BVG 0.8938
271 HVQ 0.8936
272 HY3 0.8934
273 R9M 0.8933
274 51F 0.8933
275 39J 0.8932
276 3SS 0.8932
277 PMB 0.8930
278 HIO 0.8929
279 49F 0.8928
280 BMD 0.8927
281 7A8 0.8926
282 CHT 0.8926
283 PSE 0.8923
284 FSG 0.8923
285 R67 0.8922
286 SGL 0.8918
287 LDU 0.8918
288 OEG 0.8916
289 1MR 0.8916
290 ABA 0.8915
291 A20 0.8911
292 KMT 0.8910
293 ROR 0.8908
294 URO 0.8908
295 PE9 0.8906
296 MEQ 0.8904
297 HYA 0.8904
298 ITU 0.8903
299 AHB 0.8901
300 S2G 0.8897
301 EDG 0.8897
302 1SA 0.8896
303 ORN 0.8896
304 0VT 0.8895
305 CEJ 0.8894
306 9CL 0.8893
307 54D 0.8892
308 PEL 0.8892
309 FW5 0.8888
310 TAU 0.8886
311 SAR 0.8881
312 3OH 0.8881
313 2IT 0.8881
314 RBL 0.8879
315 2PN 0.8879
316 1AB 0.8878
317 NLE 0.8877
318 LNO 0.8875
319 V1L 0.8870
320 XPO 0.8869
321 AML 0.8869
322 CXF 0.8868
323 271 0.8865
324 2EZ 0.8863
325 GLY ALA 0.8861
326 F9P 0.8858
327 PAF 0.8851
328 NBN 0.8850
329 8EW 0.8846
330 MED 0.8846
331 R1X 0.8846
332 ISU 0.8842
333 DGN 0.8840
334 GAG 0.8840
335 IMR 0.8839
336 2HG 0.8838
337 JAB 0.8837
338 25T 0.8836
339 HQE 0.8834
340 BAE 0.8832
341 GGL 0.8831
342 ECE 0.8826
343 DMV 0.8825
344 3GR 0.8818
345 60P 0.8817
346 SMB 0.8817
347 P7I 0.8812
348 16D 0.8812
349 MSF 0.8812
350 EGD 0.8810
351 OXQ 0.8808
352 PCR 0.8807
353 PXY 0.8807
354 SD4 0.8804
355 AG2 0.8804
356 LG4 0.8797
357 3BB 0.8797
358 FPN 0.8795
359 1AC 0.8795
360 FEH 0.8793
361 PLQ 0.8789
362 BTL 0.8788
363 RUU 0.8785
364 TZE 0.8785
365 BHH 0.8778
366 IXW 0.8778
367 GBD 0.8774
368 MTG 0.8772
369 9TY 0.8769
370 K6H 0.8767
371 A2Q 0.8764
372 265 0.8761
373 ZGL 0.8760
374 AOA 0.8757
375 1DH 0.8754
376 25R 0.8752
377 9J3 0.8751
378 7CL 0.8750
379 PY7 0.8749
380 COM 0.8748
381 ICN 0.8746
382 DAL DAL 0.8743
383 KMH 0.8743
384 MYQ 0.8740
385 3OC 0.8739
386 4SD 0.8735
387 DUC 0.8735
388 RNS 0.8729
389 CYX 0.8724
390 DA1 0.8722
391 I2M 0.8716
392 4HS 0.8710
393 MSE 0.8709
394 SLP 0.8709
395 FJO 0.8704
396 RNT 0.8701
397 9SB 0.8697
398 DTT 0.8696
399 9ON 0.8693
400 DTU 0.8692
401 EFS 0.8692
402 TMH 0.8688
403 PMF 0.8686
404 1SH 0.8683
405 2FT 0.8675
406 G2H 0.8675
407 ETM 0.8674
408 HPY 0.8671
409 ONL 0.8641
410 PG0 0.8637
411 FOC 0.8629
412 3PG 0.8621
413 PYF 0.8618
414 OEM 0.8615
415 PPF 0.8612
416 RMN 0.8611
417 L60 0.8609
418 SC2 0.8593
419 3HG 0.8580
420 2TQ 0.8571
421 24T 0.8557
422 FUB 0.8546
Ligand no: 2; Ligand: SAH; Similar ligands found: 15
No: Ligand Similarity coefficient
1 HCE 0.9148
2 GMD 0.9105
3 IDP 0.8930
4 GDP 0.8927
5 2EL 0.8907
6 GDP MG 0.8895
7 CUU 0.8893
8 BIG 0.8840
9 M7G 0.8830
10 DAT 0.8738
11 UC5 0.8671
12 4CT 0.8669
13 DTP 0.8653
14 GNH 0.8616
15 OS3 0.8593
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XCL; Ligand: SAH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1xcl.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
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