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Receptor
PDB id Resolution Class Description Source Keywords
1L1E 2 Å EC: 2.1.1.79 CRYSTAL STRUCTURE OF MYCOLIC ACID CYCLOPROPANE SYNTHASE PCAA COMPLEXED WITH S-ADENOSYL-L-HOMOCYSTEINE MYCOBACTERIUM TUBERCULOSIS METHYLTRANSFERASE S-ADENOSYL-L-HOMOCYSTEINE COFACTOR ALPHA/BETA STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE TB STRUCTURAL GENOMICS CONSORTIUM TBSGC
Ref.: CRYSTAL STRUCTURES OF MYCOLIC ACID CYCLOPROPANE SYNTHASES FROM MYCOBACTERIUM TUBERCULOSIS. J.BIOL.CHEM. V. 277 11559 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CO3 A:903;
B:904;
Invalid;
Invalid;
none;
none;
submit data
60.009 C O3 C(=O)...
SAH A:900;
B:901;
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
1L1E 2 Å EC: 2.1.1.79 CRYSTAL STRUCTURE OF MYCOLIC ACID CYCLOPROPANE SYNTHASE PCAA COMPLEXED WITH S-ADENOSYL-L-HOMOCYSTEINE MYCOBACTERIUM TUBERCULOSIS METHYLTRANSFERASE S-ADENOSYL-L-HOMOCYSTEINE COFACTOR ALPHA/BETA STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE TB STRUCTURAL GENOMICS CONSORTIUM TBSGC
Ref.: CRYSTAL STRUCTURES OF MYCOLIC ACID CYCLOPROPANE SYNTHASES FROM MYCOBACTERIUM TUBERCULOSIS. J.BIOL.CHEM. V. 277 11559 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1L1E - SAH C14 H20 N6 O5 S c1nc(c2c(n....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1L1E - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 1TPY - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 1KPH - 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 3 families.
1 1L1E - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 1TPY - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 1KPH - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 2FK8 - 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 : 1L1E; Ligand: SAH; Similar sites found with APoc: 830
This union binding pocket(no: 1) in the query (biounit: 1l1e.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 6CEP NAD None
2 5C2N NAG None
3 1T26 GBD 1.0453
4 1T26 NAI 1.0453
5 2A92 NAI 1.0453
6 3WV8 ATP 1.37615
7 4YNU FAD 1.39373
8 4YNU LGC 1.39373
9 3MCT SAH 1.39373
10 3MAG SAH 1.39373
11 3QVP FAD 1.39373
12 3U31 NAD 1.39373
13 1J49 NAD 1.39373
14 1SZD APR 1.39373
15 3A4T SFG 1.45985
16 5O42 NAD 1.45985
17 5O42 BGC 1.45985
18 5O42 9JW 1.45985
19 1Q0S SAH 1.5444
20 1QAN SAH 1.63934
21 3FXU TSU 1.63934
22 2EFJ SAH 1.74216
23 5AHO TLA 1.74216
24 6FP4 FAD 1.74216
25 5ICE SAH 1.74216
26 6FP4 E1T 1.74216
27 5ICE 2H4 1.74216
28 4G05 JZ3 1.74216
29 3FG2 FAD 1.74216
30 1EU1 MGD 1.74216
31 6EL3 NAP 1.74216
32 5GWX SAR 1.76056
33 5GWX SAM 1.76056
34 1OSS BEN 1.79372
35 2P69 PLP 1.96078
36 5E1M PRO PRO LYS ARG ILE ALA 2.07469
37 5E1M SAH 2.07469
38 4RVG TYD 2.09059
39 4RVG SAM 2.09059
40 3FPF TNA 2.09059
41 3FPF MTA 2.09059
42 2IZ1 ATR 2.09059
43 3AB1 FAD 2.09059
44 6BQ6 TER 2.09059
45 1G55 SAH 2.09059
46 5CX8 TG6 2.09059
47 1IZC PYR 2.09059
48 1V59 NAD 2.09059
49 3LXD FAD 2.09059
50 3VYW SAM 2.09059
51 1PN0 FAD 2.09059
52 1PN0 IPH 2.09059
53 2IVD FAD 2.09059
54 3ZNN 4WL 2.09059
55 3ZNN FAD 2.09059
56 1OMO NAD 2.09059
57 1V59 FAD 2.09059
58 2Z3Y F2N 2.09059
59 3ITJ FAD 2.09059
60 5C9P FUC 2.09059
61 3CTY FAD 2.09059
62 1VKO NAD 2.09059
63 6H3O FAD 2.09059
64 4DSG UDP 2.09059
65 4DSG FAD 2.09059
66 3GGO ENO 2.09059
67 3GGO NAI 2.09059
68 2XVE FAD 2.09059
69 2XVF FAD 2.09059
70 1PVS 7HP 2.12766
71 2G5C NAD 2.13523
72 5THQ NDP 2.20588
73 6DUB SAH 2.25225
74 3OFK SAH 2.31481
75 2Q89 6CS 2.33463
76 3FGZ BEF 2.34375
77 4C4A SAH 2.43902
78 4HA6 FAD 2.43902
79 3GD4 NAD 2.43902
80 3GD4 FAD 2.43902
81 3KLJ FAD 2.43902
82 4BV6 FAD 2.43902
83 2NVK FAD 2.43902
84 1MO9 KPC 2.43902
85 5TUF TDC 2.43902
86 5TUF FAD 2.43902
87 4TM3 FAD 2.43902
88 1VDC FAD 2.43902
89 4MOP 2H5 2.43902
90 3NJ4 AFX 2.43902
91 1X87 NAD 2.43902
92 3NJ4 NAD 2.43902
93 3H5N ATP 2.43902
94 1YBH FAD 2.43902
95 1MO9 FAD 2.43902
96 3C6K SPD 2.43902
97 1X14 NAD 2.43902
98 1YY5 FAD 2.43902
99 3N9R TD3 2.43902
100 6F3M NAD 2.43902
101 1RSG FAD 2.43902
102 1KNR FAD 2.43902
103 6F3N NAD 2.43902
104 6F3N ADN 2.43902
105 1SC6 NAD 2.43902
106 1GR0 NAD 2.43902
107 3C6K MTA 2.43902
108 5FEU NAP 2.43902
109 1I0B PEL 2.43902
110 4YAC NAI 2.43902
111 1SQF SAM 2.43902
112 2WPB ZZI 2.43902
113 2VVM FAD 2.43902
114 2VVL FAD 2.43902
115 4HXY NDP 2.43902
116 5YJI 8WO 2.46479
117 5YJI SAH 2.46479
118 5YJF SAH 2.46479
119 5YJF 8WO 2.46479
120 2DPM SAM 2.46479
121 1AX2 NDG GAL 2.51046
122 1KYQ NAD 2.55474
123 1BC5 SAH 2.60223
124 5FFF NAP 2.72374
125 5FFF 5XC 2.72374
126 3OU2 SAH 2.75229
127 6ARJ BW4 2.78746
128 5FWA J7C 2.78746
129 5DWQ SFG 2.78746
130 5MPT SAH 2.78746
131 6ARJ SAH 2.78746
132 6B92 SAH 2.78746
133 2OBF SAH 2.78746
134 2OBF F83 2.78746
135 5DX0 SFG 2.78746
136 2EG5 SAH 2.78746
137 2ZXI FAD 2.78746
138 3O7W SAM 2.78746
139 4PIO SAH 2.78746
140 4PIO AVI 2.78746
141 1ELI PYC 2.78746
142 5F2K SAH 2.78746
143 5F2K OCA 2.78746
144 2UYQ SAM 2.78746
145 6FDF SAH 2.78746
146 1FEC FAD 2.78746
147 4AP3 NAP 2.78746
148 4AP3 FAD 2.78746
149 2HQM FAD 2.78746
150 1FL2 FAD 2.78746
151 1LTH NAD 2.78746
152 5HSA FAS 2.78746
153 3NYC IAR 2.78746
154 3NYC FAD 2.78746
155 2YX1 SFG 2.78746
156 3LAD FAD 2.78746
157 4UP3 FAD 2.78746
158 3H8V ATP 2.78746
159 1B4N GUA 2.78746
160 1LDN NAD 2.78746
161 2JJQ SAH 2.78746
162 5ZYN FAD 2.78746
163 5Y77 FAD 2.78746
164 5N6C NAD 2.78746
165 2C7G FAD 2.78746
166 5MLR NAP 2.78746
167 5MLR GRQ 2.78746
168 5X68 FAD 2.78746
169 2C7G ODP 2.78746
170 1A5Z NAD 2.78746
171 4D86 ADP 2.78746
172 4EDF UPG 2.78746
173 1NV8 MEQ 2.8169
174 1NV8 SAM 2.8169
175 3GU3 SAH 2.8169
176 1NJR XYL 2.8169
177 5XLX SAH 2.83688
178 1L7N ALF 2.8436
179 3EGI ADP 2.91262
180 1VL8 NAP 2.99625
181 5FTW SAH 3.125
182 6C8R SAH 3.13589
183 6C8R EQV 3.13589
184 1RJD SAM 3.13589
185 4Y30 SAH 3.13589
186 4Y30 49L 3.13589
187 2P41 SAH 3.13589
188 1ZGA SAH 3.13589
189 2WPF FAD 3.13589
190 3UCL FAD 3.13589
191 3UCL CYH 3.13589
192 3UCL NAP 3.13589
193 6ER9 FAD 3.13589
194 6ER9 NAP 3.13589
195 2WPF WPF 3.13589
196 4DMG SAM 3.13589
197 4D7E FAD 3.13589
198 2RAB NAD 3.13589
199 5JJR SAH 3.13589
200 4K5S FAD 3.13589
201 4K5S PM0 3.13589
202 2VHW NAI 3.13589
203 2RAB FAD 3.13589
204 3OZ2 FAD 3.13589
205 3F8D FAD 3.13589
206 1XHC FAD 3.13589
207 4EMI NAD 3.13589
208 5AHN IMP 3.13589
209 4X9M FAD 3.13589
210 5EB4 FAD 3.13589
211 4EMI FAD 3.13589
212 6GNA FAD 3.13589
213 4FWE FAD 3.13589
214 5DF1 NAP 3.13589
215 5DF1 58X 3.13589
216 2YG3 FAD 3.13589
217 1RM0 D6P 3.13589
218 1RM0 NAI 3.13589
219 2HJR APR 3.13589
220 1U1I NAD 3.13589
221 4Y9D NAI 3.13589
222 3GFB NAD 3.13589
223 1XTP SAI 3.14961
224 5JCA FAD 3.16901
225 5JCA NDP 3.16901
226 6GFK SAH 3.18725
227 1ZK7 FAD 3.21199
228 3G89 SAM 3.21285
229 1I9G SAM 3.21429
230 4GUS FAD 3.22581
231 4HSU FAD 3.22581
232 4GUT FAD 3.22581
233 4YMH SAH 3.33333
234 5CUQ NSC 3.37079
235 1WY7 SAH 3.38164
236 2QA1 FAD 3.4
237 5LOG SAH 3.43348
238 2AE2 PTO 3.46154
239 2AE2 NAP 3.46154
240 4J4H NAI 3.4749
241 4J4H 1J1 3.4749
242 4JK3 NAD 3.4749
243 5E72 SAM 3.48432
244 1Y8Q ATP 3.48432
245 5F8F SFG 3.48432
246 4ZVV NAD 3.48432
247 4ZVV GN0 3.48432
248 4A6D SAM 3.48432
249 3G5S FAD 3.48432
250 5BVA FAD 3.48432
251 4EUE NAI 3.48432
252 1REO FAD 3.48432
253 5YU3 NAD 3.48432
254 5YU3 PRO 3.48432
255 5BJX NAD 3.48432
256 5BJX UDP 3.48432
257 9LDB NAD 3.48432
258 9LDT NAD 3.48432
259 4MIG G3F 3.48432
260 3NTA FAD 3.48432
261 3NT6 FAD 3.48432
262 4KGD TDP 3.48432
263 4KGD FAD 3.48432
264 5M67 NAD 3.48432
265 1Q1R FAD 3.48432
266 3VSE SAH 3.48432
267 5M67 3D1 3.48432
268 5M67 ADE 3.48432
269 1I8T FAD 3.48432
270 5UAV TFB 3.48432
271 5UAV NDP 3.48432
272 2Y6Q FAD 3.48432
273 2Y6Q I7T 3.48432
274 3CL7 HYN 3.48432
275 5N0J FAD 3.48432
276 4W6Z 8ID 3.48432
277 2DFV NAD 3.48432
278 1GPM AMP 3.48432
279 1I1N SAH 3.53982
280 3EVG SAH 3.63636
281 4FGC PQ0 3.63636
282 5O4J 9KH 3.64964
283 5O4J PJL 3.64964
284 5O4J SAH 3.64964
285 1AE1 NAP 3.663
286 3FUU ADN 3.69004
287 3ML1 MGD 3.7037
288 5KXE 6Y2 3.7037
289 1UAY ADN 3.71901
290 1G8K MGD 3.7594
291 2DT5 NAD 3.79147
292 3RKR NAP 3.81679
293 5XH2 NPO 3.81679
294 4M73 SAH 3.83275
295 4M73 M72 3.83275
296 4KIB SAH 3.83275
297 6D6Y SAH 3.83275
298 3LST SAH 3.83275
299 4YDD MGD 3.83275
300 4YDD MD1 3.83275
301 6GAS FAD 3.83275
302 1D4D FAD 3.83275
303 1YKJ FAD 3.83275
304 1YKJ PHB 3.83275
305 1VQW FAD 3.83275
306 5G3U ITW 3.83275
307 5OC1 FAD 3.83275
308 2GV8 FAD 3.83275
309 1Q9I TEO 3.83275
310 1Q9I FAD 3.83275
311 2GVC FAD 3.83275
312 2IXB A2G 3.83275
313 2IXB NAD 3.83275
314 5BRT FAD 3.83275
315 5BRT CH9 3.83275
316 5G3U FDA 3.83275
317 4NTC FAD 3.83275
318 4J36 1HR 3.83275
319 4J36 FAD 3.83275
320 3CGD FAD 3.83275
321 3CGD COA 3.83275
322 4Z24 FAD 3.83275
323 3CGD NAD 3.83275
324 4X7Y SAH 3.83275
325 1GUZ NAD 3.83275
326 4IF4 BEF 3.84615
327 1L5Y BEF 3.87097
328 2FKA BEF 3.87597
329 3GCZ SAM 3.90071
330 2F1K NAP 3.94265
331 3FRH SAH 3.95257
332 5GSN NAP 3.97351
333 5GSN FAD 3.97351
334 5GSN MMZ 3.97351
335 3GEG NAD 4.04858
336 3N8K D1X 4.06977
337 1PR9 NAP 4.09836
338 3D3W NAP 4.09836
339 5N53 8NB 4.10256
340 5DM1 SAH 4.11985
341 5DM1 5D7 4.11985
342 3KIH GDL 4.12371
343 3MQ2 SAH 4.12844
344 3G2O SAM 4.18118
345 5ERG SAM 4.18118
346 2GAG NAD 4.18118
347 5JCM FAD 4.18118
348 5JCM ISD 4.18118
349 5JCM NAD 4.18118
350 2GAG FAD 4.18118
351 3AXB PRO 4.18118
352 3AXB FAD 4.18118
353 2GMH FAD 4.18118
354 2GAG FOA 4.18118
355 3X0V FAD 4.18118
356 1H82 FAD 4.18118
357 5A3B APR 4.18118
358 2RGJ FAD 4.18118
359 3CGB FAD 4.18118
360 1H82 GZZ 4.18118
361 3GF4 UPG 4.18118
362 2V6G NAP 4.18118
363 5UR0 NAD 4.18118
364 3GF4 FAD 4.18118
365 2HK9 ATR 4.18118
366 4Z0H NAD 4.18118
367 2JHP SAH 4.18118
368 4YAG NAI 4.18118
369 4RL4 PPV 4.24528
370 6CI9 NAP 4.2471
371 5KVA SAM 4.31655
372 6EQS BV8 4.36364
373 5ME4 HP4 4.37956
374 2BOS GLA GAL GLC 4.41176
375 2BOS GLA GAL GLC NBU 4.41176
376 2VDV SAM 4.47154
377 5D4V SAH 4.47761
378 3DUW SAH 4.4843
379 4POO SAM 4.5
380 1IM8 SAI 4.5082
381 2BD0 NAP 4.5082
382 4CQM NAP 4.5082
383 5X62 SAH 4.52962
384 3LZW NAP 4.52962
385 3LZW FAD 4.52962
386 1V6A TRE 4.52962
387 5VN0 FAD 4.52962
388 5VN0 NAI 4.52962
389 3I53 SAH 4.52962
390 4C3Y FAD 4.52962
391 6FHO FAD 4.52962
392 4C3Y ANB 4.52962
393 1OBB NAD 4.52962
394 3NTD FAD 4.52962
395 3QJ4 FAD 4.52962
396 4OM8 NAD 4.52962
397 6B3A SAM 4.52962
398 1H0H MGD 4.52962
399 1SAY PYR 4.52962
400 5JAQ NAI 4.52962
401 2PWY SAH 4.65116
402 3MB5 SAM 4.70588
403 5Y8L NAD 4.74576
404 4AZW SAM 4.87805
405 5DNK SAH 4.87805
406 2IV2 MGD 4.87805
407 5IN3 G1P 4.87805
408 4XQC 13D 4.87805
409 4XQC NAD 4.87805
410 5BUK FAD 4.87805
411 4DCM SAM 4.87805
412 3AD8 FAD 4.87805
413 3AD8 PYC 4.87805
414 3AD8 NAD 4.87805
415 1NW5 SAM 4.87805
416 3GXO SAH 4.87805
417 5XNC MTA 4.87805
418 4UP4 GAL NAG 4.87805
419 5K0A FAD 4.87805
420 2IV2 2MD 4.87805
421 3WLE NAD 4.87805
422 3GWZ SAH 4.87805
423 2DTX BMA 4.92424
424 1RP0 AHZ 4.92958
425 1LSS NAD 5
426 3RNM FAD 5.05051
427 2PXX SAH 5.11628
428 1P77 ATR 5.14706
429 2GN3 MAN 5.15873
430 2GNB MAN 5.15873
431 2GN3 MMA 5.15873
432 2GNM MAN 5.15873
433 2GMM MAN MAN 5.15873
434 1UKG MMA 5.15873
435 1Q8V MAN MAN 5.15873
436 2PHT MAN MAN MAN 5.15873
437 1L3I SAH 5.20833
438 5MW4 5JU 5.22648
439 4RDH AMP 5.22648
440 3QOX SAH 5.22648
441 4RDI ATP 5.22648
442 6F97 FAD 5.22648
443 4REP FAD 5.22648
444 6GAR FAD 5.22648
445 5TS5 FAD 5.22648
446 2RGO FAD 5.22648
447 5HJM MTA 5.22648
448 4USR FAD 5.22648
449 2FJK 13P 5.22648
450 4IV9 FAD 5.22648
451 3OND NAD 5.22648
452 3OND ADN 5.22648
453 1TDF FAD 5.22648
454 4LZB URA 5.22648
455 1T9D PYD 5.22648
456 1T9D 1MM 5.22648
457 1V8B NAD 5.22648
458 1TDF NAP 5.22648
459 1T9D P25 5.22648
460 5F7J ADE 5.22648
461 2Q1S NAI 5.22648
462 5WKC FAD 5.22648
463 1T9D FAD 5.22648
464 3GRU AMP 5.42373
465 4D79 ATP 5.43478
466 4XUC SAM 5.50459
467 4XUC 43G 5.50459
468 2YVJ NAI 5.50459
469 5T67 JHZ 5.57491
470 5T67 SAH 5.57491
471 1BZL GCG 5.57491
472 1BZL FAD 5.57491
473 2BRY FAD 5.57491
474 3LKZ SFG 5.57491
475 3E1T FAD 5.57491
476 1C0I FAD 5.57491
477 1C0I BE2 5.57491
478 2E5V FAD 5.57491
479 1C1X NAD 5.57491
480 1PJS NAD 5.57491
481 6F7L FAD 5.57491
482 3TKA SAM 5.57491
483 1BXG NAD 5.57491
484 1BW9 NAD 5.57491
485 3SAO DBH 5.625
486 2CJU PHX 5.78512
487 5J3R GSH 5.91133
488 3X0D SAH 5.92335
489 3DMH GMP 5.92335
490 3DMH SAM 5.92335
491 5EEH SAH 5.92335
492 5EEH P9P 5.92335
493 1MV8 NAD 5.92335
494 3UOY FAD 5.92335
495 3UOY NAP 5.92335
496 1KQF MGD 5.92335
497 4RPL FAD 5.92335
498 4RPL 3UC 5.92335
499 4YUW 4JU 5.92335
500 4YUW S4M 5.92335
501 4M52 FAD 5.92335
502 2A8X FAD 5.92335
503 4M52 M52 5.92335
504 1ZBQ NAD 5.92335
505 1MUU NAD 5.92335
506 1GZ6 NAI 5.92335
507 5BW4 SAM 5.99251
508 3QFA FAD 6.03448
509 2VT3 ATP 6.04651
510 1EJ0 SAM 6.11111
511 4U36 TNR 6.25
512 5U19 827 6.27178
513 5U19 SAH 6.27178
514 5FA5 MTA 6.27178
515 3ELW GP3 6.27178
516 3ELW SAM 6.27178
517 4GQB 0XU 6.27178
518 4X60 3XV 6.27178
519 4X60 SFG 6.27178
520 3S1S SAH 6.27178
521 3HDY FDA 6.27178
522 3HDY GDU 6.27178
523 3HDY FAD 6.27178
524 4YKG NAD 6.27178
525 4YKG FAD 6.27178
526 4D04 FAD 6.27178
527 4D04 NAP 6.27178
528 4D5G TPP 6.27178
529 5KOX RFP 6.27178
530 5KOX FAD 6.27178
531 5O9F 9ON 6.27178
532 5O9F NAD 6.27178
533 4U8P UDP 6.27178
534 4U8P FDA 6.27178
535 2B9W FAD 6.27178
536 2AQJ TRP 6.27178
537 2AQJ FAD 6.27178
538 4D5G FAD 6.27178
539 1KOL NAD 6.27178
540 3HQP FDP 6.27178
541 3GMB FAD 6.27178
542 2HNK SAH 6.27615
543 2ZFU SAH 6.51163
544 1G60 SAM 6.53846
545 4EMJ FAD 6.54206
546 3OID NDP 6.58915
547 4RSL FAD 6.62021
548 5FJN FAD 6.62021
549 5FJN BE2 6.62021
550 2R4J 13P 6.62021
551 2R4J FAD 6.62021
552 2V3V MGD 6.62021
553 3FPZ AHZ 6.62021
554 1UWK URO 6.62021
555 1UWK NAD 6.62021
556 1H2B NAJ 6.62021
557 1O97 FAD 6.62021
558 1O97 AMP 6.62021
559 2ZIF SAM 6.62021
560 2GCG DGY 6.62021
561 4L2I FAD 6.62021
562 5JE8 NAD 6.62021
563 1WG8 SAM 6.66667
564 6CZ7 MGD 6.83761
565 2WA2 SAM 6.88406
566 4PLG NAI 6.88623
567 4PLG OXM 6.88623
568 1R37 NAD 6.91643
569 3BGD SAH 6.92308
570 3BGD PM6 6.92308
571 5I39 FAD 6.96864
572 2NYA MGD 6.96864
573 5MIT NAP 6.96864
574 5MIT FAD 6.96864
575 1NVM NAD 6.96864
576 2IVF MGD 6.96864
577 2WET FAD 6.96864
578 3VPH OXM 7.31707
579 3VPH NAD 7.31707
580 6AIN FAD 7.31707
581 3T31 DCQ 7.31707
582 3T31 FAD 7.31707
583 5J60 FAD 7.31707
584 2PT9 S4M 7.31707
585 2PT9 2MH 7.31707
586 4MCC 21X 7.31707
587 2Q0L FAD 7.31707
588 2BZG SAH 7.32759
589 6F5Z SAH 7.35931
590 2I7C AAT 7.42049
591 5BSZ SAH 7.6
592 2BZ1 TAU 7.65306
593 3LCC SAH 7.65957
594 4B63 FAD 7.66551
595 4B63 NAP 7.66551
596 4B63 ORN 7.66551
597 1RYI GOA 7.66551
598 5TWB FAD 7.66551
599 1U2Z SAH 7.66551
600 1RYI FAD 7.66551
601 1NAA 6FA 7.66551
602 1NAA ABL 7.66551
603 1UXG NAD 7.66551
604 1UXG FUM 7.66551
605 2NPX NAD 7.66551
606 2NPX FAD 7.66551
607 3FZG SAM 8
608 6ECT SAM 8.01394
609 3DXY SAM 8.01394
610 4M37 SAH 8.01394
611 4M38 SAH 8.01394
612 2Q7V FAD 8.01394
613 3A25 SAM 8.01394
614 1R27 MGD 8.01394
615 1LVL NAD 8.01394
616 3PPQ CHT 8.01394
617 5U8U FAD 8.01394
618 3OJO NAD 8.01394
619 3IHG FAD 8.01394
620 1LVL FAD 8.01394
621 2DKH FAD 8.01394
622 2DKH 3HB 8.01394
623 3EVF SAH 8.30325
624 3EVF GTA 8.30325
625 2HMT NAI 8.33333
626 5E9W SAH 8.36237
627 4KRG SAH 8.36237
628 1XDS SAM 8.36237
629 4BJZ FAD 8.36237
630 4BJZ P3A 8.36237
631 1QZZ SAM 8.36237
632 4XFR CIT 8.36237
633 1E1M NAP 8.36237
634 1E1M FAD 8.36237
635 5CIC 51R 8.36237
636 3PFG SAM 8.36502
637 3PFG TLO 8.36502
638 1JG3 ADN 8.51064
639 1EFV FAD 8.62745
640 1EFV AMP 8.62745
641 4YRY NAD 8.69565
642 4YRY FAD 8.69565
643 4ONQ SFG 8.7108
644 4FZV SAM 8.7108
645 5J5Z FAD 8.7108
646 5JWC FAD 8.7108
647 1NXJ GLV 8.74317
648 5O6Y 5YA 8.8785
649 5THY SAH 9.05923
650 4BLW AMP 9.05923
651 4BLW SAH 9.05923
652 3GDN FAD 9.05923
653 3GDN HBX 9.05923
654 1UP7 NAD 9.05923
655 2PX8 SAH 9.05923
656 1LLU NAD 9.05923
657 5OJ7 AR6 9.09091
658 4YJK URA 9.12698
659 3GDH SAH 9.12863
660 5ZZ6 ADP 9.13461
661 5ZZ6 NAD 9.13461
662 2VPY MGD 9.23077
663 1E6E FAD 9.375
664 5THZ SAH 9.40767
665 4TXI FAD 9.40767
666 4II2 ATP 9.63855
667 4PLT OXM 9.66767
668 4PLT NAI 9.66767
669 5WP4 SAH 9.7561
670 4USQ FAD 9.7561
671 1YQZ FAD 9.7561
672 4EIP FAD 9.7561
673 3K7M FAD 9.7561
674 1FP2 SAH 9.7561
675 1HYH NAD 9.7561
676 4MO2 FDA 9.78261
677 4MO2 FAD 9.78261
678 3CBG SAH 9.91379
679 3A27 SAM 9.92647
680 3HVJ 705 9.95475
681 3LCV SAM 9.96441
682 1NBU PH2 10.084
683 4JNA FAD 10.1045
684 2CDU FAD 10.1045
685 1GET FAD 10.1045
686 1GET NAP 10.1045
687 1DMR PGD 10.1045
688 4E5N NAD 10.1045
689 2CDU ADP 10.1045
690 1ZQ9 SAM 10.1754
691 6C5F 7L9 10.2564
692 2A14 SAH 10.2662
693 3PT9 SAH 10.453
694 4OPC PGT 10.453
695 4OPC FDA 10.453
696 3SQP FAD 10.453
697 3ICS FAD 10.453
698 3ICT ADP 10.453
699 3ICR FAD 10.453
700 1DLJ NAI 10.453
701 3ICT FAD 10.453
702 3ICS ADP 10.453
703 4IWN GEK 10.4803
704 1XCL SAH 10.6383
705 5FUB SAH 10.8014
706 5YF1 8V0 10.8014
707 5YF1 SFG 10.8014
708 3WGT FAD 10.8014
709 3WGT QSC 10.8014
710 1SOW NAD 10.8014
711 3H2B SAH 10.8374
712 2EWM NAD 10.8434
713 1SQL GUN 10.9589
714 1Z3C SA8 11.1498
715 3L9W AMP 11.1498
716 3L9W GSH 11.1498
717 1QO8 FAD 11.1498
718 5L95 AMP 11.25
719 5FUI APY 11.3636
720 2AOT SAH 11.4983
721 1JQD SAH 11.4983
722 1JQD HSM 11.4983
723 1F3L SAH 11.4983
724 2OOR NAD 11.4983
725 1F8G NAD 11.4983
726 1CF2 NAP 11.4983
727 5M58 SAH 11.7391
728 2ZWA SAH 11.8467
729 1RJW ETF 11.8467
730 2IID FAD 11.8467
731 2IID PHE 11.8467
732 4JDR FAD 11.8467
733 4CNK FAD 11.8467
734 3SSO SAH 11.8467
735 1GTE FAD 11.8467
736 5CLO NS8 11.8644
737 3P2E SAH 12
738 5WGR FAD 12.1951
739 4TQG NDP 12.1951
740 3KIF GDL 12.2642
741 4JX1 CAH 12.3894
742 4JX1 CAM 12.3894
743 5FA8 SAM 12.4224
744 4OBW SAM 12.4514
745 5ODQ FAD 12.5
746 3S5W FAD 12.5436
747 1P1C SAH 12.5628
748 1O5O U5P 12.6697
749 5DLY SAH 12.782
750 5DLY 5D7 12.782
751 6ECU SAH 12.892
752 6ECW SAH 12.892
753 5W7K SAH 12.892
754 5TTJ FAD 12.892
755 2F5Z FAD 12.892
756 4QTU SAM 12.9808
757 4CVN ADP 13.1387
758 1R18 SAH 13.2159
759 4PNE SAH 13.2404
760 3T7S SAM 13.2404
761 3TLJ SAH 13.2404
762 2AJH MET 13.2653
763 3VC1 GST 13.7821
764 3VC1 SAH 13.7821
765 5ULP KB1 13.806
766 4LWP SAH 13.9373
767 1DL5 SAH 13.9373
768 1GPE FAD 14.2857
769 1N2X SAM 14.6341
770 5YB7 ORN 14.6341
771 5YB7 FAD 14.6341
772 1FP1 SAH 14.6341
773 1JNR FAD 14.6667
774 3Q87 SAM 14.7059
775 4J56 FAD 14.9123
776 2NXE SAM 14.9606
777 5WP5 SAH 14.9826
778 4GKV NAD 15.1786
779 1JQ3 AAT 15.331
780 3AYI FAD 15.331
781 3AYI HCI 15.331
782 2JAC GSH 15.4545
783 5UFN SAH 15.5462
784 5DX1 SFG 15.7895
785 5DXA SFG 15.7895
786 5DX8 SFG 15.7895
787 5N5D SAM 15.9292
788 2CUL FAD 15.9483
789 1D1T NAD 16.0279
790 4MP8 MLI 16.3763
791 4MP8 NAD 16.3763
792 2XVM SAH 16.5829
793 5MBX SP5 16.7247
794 5MBX FAD 16.7247
795 2E7Z MGD 16.7247
796 6GNC FAD 17.0732
797 1COY AND 17.0732
798 1COY FAD 17.0732
799 3BXO SAM 17.1548
800 6C5B SAH 17.4216
801 4NEC SAH 18.1818
802 4NTD FAD 18.8235
803 3JWH SAH 18.894
804 4D42 W0I 19.1489
805 4D42 NAP 19.1489
806 4YSX FAD 19.2308
807 1TUU AMP 19.5122
808 5JE0 AZ8 20.2429
809 5JE0 SAH 20.2429
810 5E8J SAH 20.4545
811 5JGL SAM 20.5575
812 1KYZ SAH 20.9059
813 3TKY SAH 21.6028
814 5MGZ SAH 22.0339
815 3NDJ JHZ 22.9965
816 3NDJ SAH 22.9965
817 2EJU SAH 23.6934
818 5KOK SAH 25.784
819 5KOK S9T 25.784
820 5KOK R9T 25.784
821 5W7M SAH 26.4808
822 2O07 SPD 27.1777
823 2O07 MTA 27.1777
824 5GM1 SAH 27.8746
825 4KRI SAH 28.5714
826 5ZW3 SAH 29.7778
827 4R6W SAH 29.845
828 4R6W PC 29.845
829 1VE3 SAM 35.6828
830 6GKV SAH 37.2822
Pocket No.: 2; Query (leader) PDB : 1L1E; Ligand: SAH; Similar sites found with APoc: 133
This union binding pocket(no: 2) in the query (biounit: 1l1e.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1WUW TSU None
2 1ZEI CRS None
3 2QQF A1R 1.39373
4 2OD9 A1R NCA 1.39373
5 1TL2 NDG 1.69492
6 5A04 NDP 1.74216
7 5A04 BGC 1.74216
8 5OCM NAP 1.74216
9 3QWI CUE 1.85185
10 3QWI NAP 1.85185
11 1YQD NAP 1.91257
12 5TOW NAI 2.09059
13 5TOW ADN 2.09059
14 3V1Y NAD 2.09059
15 5J7X FAD 2.09059
16 2RH4 EMO 2.16606
17 1M2K APR 2.40964
18 5DN9 NAD 2.43902
19 5T8U LPA 2.43902
20 1PZG A3D 2.43902
21 3CMC NAD 2.43902
22 4E70 N7I 2.43902
23 6C4N NAP 2.43902
24 1GQ2 NAP 2.43902
25 3U4C NDP 2.4911
26 1TE2 PGA 2.65487
27 3WDM ADN 2.68199
28 1J5P NAD 2.7668
29 1U3U NAD 2.78746
30 1U3U BNF 2.78746
31 1H6C NDP 2.78746
32 1DSS NAD 3.13589
33 2GN4 NDP 3.13589
34 2FZW NAD 3.13589
35 1E3I CXF 3.13589
36 4RQU NAD 3.13589
37 2GN4 UD1 3.13589
38 2JB2 PHE 3.13589
39 2JB2 FAD 3.13589
40 4XZ3 COA 3.13589
41 2CHT TSA 3.14961
42 1G0N NDP 3.18021
43 1G0N PHH 3.18021
44 2FMD MAN MAN 3.33333
45 4YEF 4CQ 3.37079
46 4UZI IMD 3.48432
47 5TUK FAD 3.48432
48 4UUG PXG 3.48432
49 4FC7 NAP 3.61011
50 4FC7 COA 3.61011
51 5Z21 NAI 3.63128
52 3C3Y SAH 3.79747
53 1J0X NAD 3.83275
54 3CIF NAD 3.83275
55 2CDC XYS 3.83275
56 3CIF G3H 3.83275
57 1HDG NAD 3.83275
58 2AF6 BRU 3.87597
59 3SJ7 NDP 3.96825
60 4XYM COA 4.09483
61 1V5F TPP 4.18118
62 1V5F FAD 4.18118
63 2B4R NAD 4.18118
64 2B4R AES 4.18118
65 1CER NAD 4.18118
66 3RIY NAD 4.3956
67 2YYY NAP 4.52962
68 6B74 BEN 4.52962
69 5KMS NAD 4.69136
70 5Y8L HUI 4.74576
71 2RGH FAD 4.87805
72 4CCW VKC 4.87805
73 5AHS COA 4.87805
74 3QV1 NAD 4.87805
75 2CVQ NDP 4.87805
76 5GT9 NAP 4.94297
77 1ZEM NAD 4.96183
78 4ZCC FAD 5.22648
79 4ZCC NAI 5.22648
80 2C31 ADP 5.22648
81 2C31 TZD 5.22648
82 3HB5 NAP 5.22648
83 1RLZ NAD 5.22648
84 2AG8 NAP 5.32319
85 2YVJ FAD 5.50459
86 1S7G NAD 5.5336
87 6EGU 43Y 5.57491
88 3H9E NAD 5.57491
89 3CH6 311 5.59441
90 3CH6 NAP 5.59441
91 1G2O IMH 5.59701
92 1PL6 NAD 5.92335
93 1PL6 572 5.92335
94 5Z20 NAI 5.92335
95 1SJD NPG 5.92335
96 2FR1 NDP 5.92335
97 1JT1 MCO 6.08365
98 1VM6 NAD 6.14035
99 1PS9 NAP 6.27178
100 5NII FAD 6.62021
101 3BPX SAL 6.75676
102 1K3T BRZ 6.96864
103 2WHX ADP 6.96864
104 1CDO NAD 6.96864
105 4ITU NAI 7.0632
106 4ITU 1HS 7.0632
107 5EIN NAP 7.31707
108 1X7D ORN 7.66551
109 1RYD NDP 7.66551
110 1X7D NAD 7.66551
111 1FFU CDP 7.66551
112 3SBZ MLI 7.93651
113 3NKS FAD 8.01394
114 1EZ4 NAD 8.01394
115 4ZGS NAD 8.01394
116 2Q28 ADP 8.36237
117 1XKQ NDP 8.57143
118 5JVB 2PO 8.92857
119 2ZJ1 ARJ 9.40767
120 2ZJ1 NAD 9.40767
121 3GD8 GOL 9.41704
122 3OA2 NAD 9.7561
123 1FP2 HMO 9.7561
124 6DEN TP9 10.1045
125 6DEN FAD 10.1045
126 6DEN G8A 10.1045
127 1DLJ UGA 10.453
128 1NM5 NAD 11.4983
129 1L7E NAI 11.4983
130 2JHF NAD 11.8467
131 1P0F NAP 12.1951
132 1VJT NAD 13.5889
133 1MFI FHC 14.0351
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