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 4 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 2 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 44 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: 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 : 1L1E; Ligand: SAH; Similar sites found: 495
This union binding pocket(no: 1) in the query (biounit: 1l1e.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2A92 NAI 0.003707 0.42396 1.0453
2 1T26 NAI 0.00731 0.42161 1.0453
3 3WV8 ATP 0.0007453 0.43389 1.37615
4 4YNU FAD 0.003616 0.43738 1.39373
5 4YNU LGC 0.004318 0.43738 1.39373
6 3QVP FAD 0.005836 0.42698 1.39373
7 3U31 NAD 0.001687 0.41794 1.39373
8 1J49 NAD 0.005905 0.41123 1.39373
9 3A4T SFG 0.0004065 0.44257 1.45985
10 1Q0S SAH 0.0002516 0.46357 1.5444
11 1QAN SAH 0.00005761 0.47615 1.63934
12 2EFJ SAH 0.00004265 0.47165 1.74216
13 2V3A FAD 0.006884 0.41887 1.74216
14 5A04 NDP 0.02589 0.40561 1.74216
15 5A04 BGC 0.0302 0.40561 1.74216
16 2YVF NAD 0.03746 0.40112 1.74216
17 2YVF FAD 0.03639 0.40112 1.74216
18 5GWX SAM 0.0005245 0.4535 1.76056
19 5GWX SAR 0.0005245 0.4535 1.76056
20 2P69 PLP 0.02729 0.40354 1.96078
21 5E1M PRO PRO LYS ARG ILE ALA 0.000004864 0.55353 2.07469
22 5E1M SAH 0.000004864 0.55353 2.07469
23 2IZ1 ATR 0.0006908 0.48761 2.09059
24 1G55 SAH 0.0002271 0.46391 2.09059
25 3LXD FAD 0.002673 0.43388 2.09059
26 3VYW SAM 0.0009353 0.43386 2.09059
27 1V59 NAD 0.0001473 0.43307 2.09059
28 1PN0 FAD 0.005399 0.43206 2.09059
29 1PN0 IPH 0.005631 0.43206 2.09059
30 3CTY FAD 0.005314 0.42975 2.09059
31 3ZNN FAD 0.009126 0.42764 2.09059
32 1OMO NAD 0.002124 0.42429 2.09059
33 1V59 FAD 0.007458 0.4239 2.09059
34 4DSG UDP 0.03237 0.40356 2.09059
35 4DSG FAD 0.03237 0.40356 2.09059
36 4RVG SAM 0.00001065 0.40322 2.09059
37 3FPF TNA 0.00003174 0.40241 2.09059
38 3FPF MTA 0.00003174 0.40241 2.09059
39 3GGO NAI 0.01866 0.40218 2.09059
40 3GGO ENO 0.01866 0.40218 2.09059
41 2XVE FAD 0.03703 0.40075 2.09059
42 2XVF FAD 0.01686 0.40039 2.09059
43 1PVS 7HP 0.02893 0.40206 2.12766
44 2G5C NAD 0.002092 0.43215 2.13523
45 5THQ NDP 0.01144 0.40005 2.20588
46 3OFK SAH 0.00009614 0.46827 2.31481
47 3FGZ BEF 0.01474 0.40533 2.34375
48 4C4A SAH 0.00002064 0.49669 2.43902
49 3GD4 NAD 0.004243 0.45307 2.43902
50 3GD4 FAD 0.002719 0.45307 2.43902
51 4BV6 FAD 0.001955 0.44657 2.43902
52 2NVK FAD 0.002339 0.44306 2.43902
53 1MO9 KPC 0.01476 0.42948 2.43902
54 1VDC FAD 0.006815 0.42741 2.43902
55 4TM3 FAD 0.01306 0.42664 2.43902
56 1X87 NAD 0.001912 0.42453 2.43902
57 3NJ4 NAD 0.03229 0.42415 2.43902
58 1SQF SAM 0.002588 0.42261 2.43902
59 1MO9 FAD 0.02045 0.42205 2.43902
60 1X14 NAD 0.0009208 0.41861 2.43902
61 1YY5 FAD 0.009474 0.41827 2.43902
62 1RSG FAD 0.009192 0.41708 2.43902
63 1KNR FAD 0.008474 0.4168 2.43902
64 1SC6 NAD 0.005564 0.41623 2.43902
65 1GR0 NAD 0.007204 0.41365 2.43902
66 3C6K SPD 0.008239 0.41328 2.43902
67 3C6K MTA 0.008239 0.41328 2.43902
68 2VVM FAD 0.01706 0.40304 2.43902
69 4HXY NDP 0.01282 0.40029 2.43902
70 5XVK SAH 0.0002198 0.46414 2.46479
71 2DPM SAM 0.0002895 0.45714 2.46479
72 1AX2 NDG GAL 0.0111 0.42213 2.51046
73 1KYQ NAD 0.000478 0.43359 2.55474
74 1BC5 SAH 0.005973 0.40363 2.60223
75 3OU2 SAH 0.0003692 0.42492 2.75229
76 2EG5 SAH 0.00003321 0.52263 2.78746
77 5DX0 SFG 0.00003533 0.50172 2.78746
78 5DWQ SFG 0.00004012 0.49737 2.78746
79 5MPT SAH 0.00001881 0.49319 2.78746
80 2JJQ SAH 0.0004691 0.46924 2.78746
81 2OBF SAH 0.0007309 0.46695 2.78746
82 2OBF F83 0.0007309 0.46695 2.78746
83 3O7W SAM 0.00003051 0.4608 2.78746
84 4PIO SAH 0.000798 0.45585 2.78746
85 4PIO AVI 0.0008476 0.45338 2.78746
86 1ELI PYC 0.001209 0.45271 2.78746
87 5F2K SAH 0.001008 0.44872 2.78746
88 5F2K OCA 0.001008 0.44872 2.78746
89 2UYQ SAM 0.003929 0.44475 2.78746
90 1FEC FAD 0.003632 0.43911 2.78746
91 2HQM FAD 0.004178 0.43264 2.78746
92 1FL2 FAD 0.00384 0.43129 2.78746
93 5HSA FAS 0.004911 0.42849 2.78746
94 2YX1 SFG 0.0003225 0.42639 2.78746
95 3LAD FAD 0.006312 0.4245 2.78746
96 3H8V ATP 0.001175 0.42272 2.78746
97 4UP3 FAD 0.006874 0.42091 2.78746
98 1B4N GUA 0.01438 0.4181 2.78746
99 5MZI FAD 0.0212 0.4117 2.78746
100 5MZI FYK 0.02186 0.4117 2.78746
101 4D86 ADP 0.004888 0.40717 2.78746
102 2C7G ODP 0.02554 0.40521 2.78746
103 2C7G FAD 0.02648 0.40514 2.78746
104 1NV8 MEQ 0.000007465 0.53457 2.8169
105 1NV8 SAM 0.000008278 0.53457 2.8169
106 3GU3 SAH 0.00003091 0.45179 2.8169
107 3EGI ADP 0.0000338 0.5513 2.91262
108 5FTW SAH 0.000972 0.43316 3.125
109 1RJD SAM 0.0001275 0.46994 3.13589
110 4Y2H SAH 0.0006448 0.46609 3.13589
111 2P41 SAH 0.0002684 0.46538 3.13589
112 4Y2H 49K 0.0008655 0.46035 3.13589
113 5JJR SAH 0.0008566 0.44349 3.13589
114 2WPF FAD 0.01318 0.4371 3.13589
115 3UCL NAP 0.008578 0.43541 3.13589
116 3UCL FAD 0.007848 0.43541 3.13589
117 3UCL CYH 0.007848 0.43541 3.13589
118 2WPF WPF 0.01742 0.43107 3.13589
119 4DMG SAM 0.004173 0.42943 3.13589
120 2VHW NAI 0.003739 0.42856 3.13589
121 4D7E FAD 0.003773 0.42839 3.13589
122 2RAB FAD 0.006961 0.4244 3.13589
123 2RAB NAD 0.01375 0.4244 3.13589
124 3F8D FAD 0.01723 0.42199 3.13589
125 1XHC FAD 0.005349 0.42164 3.13589
126 4X9M FAD 0.006902 0.42083 3.13589
127 5EB4 FAD 0.007081 0.42033 3.13589
128 4FWE FAD 0.01277 0.41146 3.13589
129 1XTP SAI 0.00001065 0.50148 3.14961
130 5JCA FAD 0.01771 0.4041 3.16901
131 5JCA NDP 0.03584 0.40204 3.16901
132 3G89 SAM 0.0000002179 0.62397 3.21285
133 1I9G SAM 0.0001372 0.46861 3.21429
134 4GUT FAD 0.01459 0.41135 3.22581
135 4YMH SAH 0.0006449 0.44059 3.33333
136 5CUQ NSC 0.0009203 0.45046 3.37079
137 1WY7 SAH 0.004265 0.40813 3.38164
138 5LOG SAH 0.001298 0.42391 3.43348
139 2AE2 PTO 0.009688 0.41417 3.46154
140 2AE2 NAP 0.009688 0.41417 3.46154
141 4J4H NAI 0.007211 0.42543 3.4749
142 4J4H 1J1 0.007211 0.42543 3.4749
143 4JK3 NAD 0.004561 0.41325 3.4749
144 5E72 SAM 0.00001732 0.50841 3.48432
145 5F8F SFG 0.00003705 0.46931 3.48432
146 1Y8Q ATP 0.0001482 0.44852 3.48432
147 4A6D SAM 0.0006975 0.44317 3.48432
148 5BVA FAD 0.004931 0.43123 3.48432
149 4EUE NAI 0.002585 0.43082 3.48432
150 1REO FAD 0.004136 0.42984 3.48432
151 4MIG G3F 0.01128 0.41811 3.48432
152 9LDT NAD 0.004787 0.41783 3.48432
153 3NT6 FAD 0.009019 0.4136 3.48432
154 5M67 NAD 0.01609 0.41096 3.48432
155 3VSE SAH 0.0005345 0.41055 3.48432
156 5M67 3D1 0.01728 0.40953 3.48432
157 5M67 ADE 0.01843 0.40823 3.48432
158 1I8T FAD 0.01398 0.40601 3.48432
159 2Y6Q FAD 0.01069 0.40376 3.48432
160 2Y6Q I7T 0.02129 0.40376 3.48432
161 5UAV NDP 0.01483 0.40187 3.48432
162 5UAV TFB 0.01483 0.40187 3.48432
163 4W6Z 8ID 0.01606 0.40032 3.48432
164 2DFV NAD 0.009195 0.40017 3.48432
165 1I1N SAH 0.0002992 0.46562 3.53982
166 3EVG SAH 0.0002227 0.44951 3.63636
167 4FGC PQ0 0.01694 0.41398 3.63636
168 5O4J 9KH 0.004345 0.42336 3.64964
169 5O4J SAH 0.004345 0.42336 3.64964
170 5O4J PJL 0.004853 0.42005 3.64964
171 1AE1 NAP 0.009748 0.4067 3.663
172 3FUU ADN 0.000007493 0.52693 3.69004
173 3ML1 MGD 0.002019 0.46676 3.7037
174 1UAY ADN 0.001684 0.44347 3.71901
175 1G8K MGD 0.005171 0.44594 3.7594
176 4M73 SAH 0.00002642 0.52413 3.83275
177 4KIB SAH 0.00001741 0.48575 3.83275
178 3LST SAH 0.0007369 0.46014 3.83275
179 4YDD MD1 0.003657 0.455 3.83275
180 4YDD MGD 0.003657 0.455 3.83275
181 1D4D FAD 0.004215 0.43342 3.83275
182 1YKJ FAD 0.008447 0.43261 3.83275
183 1YKJ PHB 0.008447 0.43261 3.83275
184 5G3U FDA 0.004558 0.4269 3.83275
185 1Q9I TEO 0.009764 0.42626 3.83275
186 2GVC FAD 0.003747 0.425 3.83275
187 4NTC FAD 0.007189 0.42099 3.83275
188 4J36 1HR 0.01019 0.41595 3.83275
189 4J36 FAD 0.006876 0.41339 3.83275
190 3CGD NAD 0.03019 0.41325 3.83275
191 3CGD FAD 0.03019 0.41325 3.83275
192 3CGD COA 0.03019 0.41325 3.83275
193 4Z24 FAD 0.01209 0.41167 3.83275
194 1J0X NAD 0.0138 0.40994 3.83275
195 4M73 M72 0.00002966 0.40852 3.83275
196 4X7Y SAH 0.01847 0.40238 3.83275
197 4IF4 BEF 0.01334 0.41602 3.84615
198 1L5Y BEF 0.01027 0.42215 3.87097
199 2FKA BEF 0.00583 0.44509 3.87597
200 3GCZ SAM 0.0004324 0.43858 3.90071
201 3FRH SAH 0.000009418 0.52182 3.95257
202 3GEG NAD 0.003692 0.41865 4.04858
203 1PR9 NAP 0.005289 0.41841 4.09836
204 3D3W NAP 0.006022 0.41592 4.09836
205 5N53 8NB 0.004487 0.44429 4.10256
206 5DM1 SAH 0.00001984 0.53253 4.11985
207 5DM1 5D7 0.00002131 0.53253 4.11985
208 3MQ2 SAH 0.0002063 0.47524 4.12844
209 3G2O SAM 0.000007846 0.53203 4.18118
210 2GAG NAD 0.002775 0.43546 4.18118
211 5JCM NAD 0.008253 0.43437 4.18118
212 5JCM FAD 0.008003 0.43437 4.18118
213 5JCM ISD 0.008253 0.43437 4.18118
214 2GAG FAD 0.005637 0.42948 4.18118
215 2GAG FOA 0.005882 0.42863 4.18118
216 1H82 GZZ 0.01287 0.42327 4.18118
217 1H82 FAD 0.01092 0.42327 4.18118
218 5A3B APR 0.002771 0.42253 4.18118
219 2V6G NAP 0.007406 0.40954 4.18118
220 2JHP SAH 0.003397 0.40152 4.18118
221 4RL4 PPV 0.002358 0.46872 4.24528
222 5KVA SAM 0.0002986 0.45658 4.31655
223 2VDV SAM 0.00002185 0.53107 4.47154
224 5D4V SAH 0.003586 0.41129 4.47761
225 3DUW SAH 0.000595 0.43748 4.4843
226 4POO SAM 0.0001032 0.47998 4.5
227 1IM8 SAI 0.000002368 0.54209 4.5082
228 5X62 SAH 0.000009189 0.53521 4.52962
229 1V6A TRE 0.004191 0.44572 4.52962
230 3I53 SAH 0.00074 0.4381 4.52962
231 4C3Y FAD 0.0056 0.42591 4.52962
232 3NTD FAD 0.005121 0.42463 4.52962
233 4C3Y ANB 0.008544 0.42205 4.52962
234 1SAY PYR 0.01228 0.4034 4.52962
235 5JAQ NAI 0.01692 0.40226 4.52962
236 1OBB NAD 0.002352 0.40066 4.52962
237 2PWY SAH 0.0001029 0.47804 4.65116
238 3MB5 SAM 0.00005708 0.46935 4.70588
239 4AZT SAM 0.000000629 0.55044 4.87805
240 4AZW SAM 0.000003161 0.53034 4.87805
241 5DNK SAH 0.00000861 0.46805 4.87805
242 4XQC NAD 0.001839 0.4498 4.87805
243 2IV2 MGD 0.001615 0.44478 4.87805
244 4XQC 13D 0.003898 0.4359 4.87805
245 5BUK FAD 0.004014 0.43531 4.87805
246 4DCM SAM 0.0002265 0.4336 4.87805
247 3AD8 PYC 0.009817 0.43139 4.87805
248 3AD8 FAD 0.009817 0.43139 4.87805
249 3AD8 NAD 0.002924 0.43097 4.87805
250 1NW5 SAM 0.00097 0.42892 4.87805
251 1N4W FAD 0.006109 0.42608 4.87805
252 3WLE NAD 0.005498 0.42111 4.87805
253 3GXO SAH 0.004416 0.41997 4.87805
254 2IV2 2MD 0.006645 0.4116 4.87805
255 3GWZ SAH 0.001928 0.40122 4.87805
256 2DTX BMA 0.007232 0.41892 4.92424
257 1RP0 AHZ 0.001804 0.43767 4.92958
258 1LSS NAD 0.0008114 0.43643 5
259 2PXX SAH 0.000001599 0.54197 5.11628
260 1P77 ATR 0.01479 0.41569 5.14706
261 2GN3 MAN 0.01068 0.42731 5.15873
262 2GN3 MMA 0.01238 0.42129 5.15873
263 2GMM MAN MAN 0.02156 0.4091 5.15873
264 2PHT MAN MAN MAN 0.02725 0.40382 5.15873
265 1L3I SAH 0.00003191 0.50555 5.20833
266 4RDH AMP 0.00007633 0.49998 5.22648
267 5MW4 5JU 0.0003248 0.48063 5.22648
268 3QOX SAH 0.0003171 0.45743 5.22648
269 4RDI ATP 0.0001609 0.45672 5.22648
270 4REP FAD 0.00304 0.43585 5.22648
271 5HJM MTA 0.001155 0.43385 5.22648
272 2RGO FAD 0.004372 0.42664 5.22648
273 4USR FAD 0.00434 0.42219 5.22648
274 4ZCC NAI 0.01137 0.41951 5.22648
275 4ZCC FAD 0.01137 0.41951 5.22648
276 3OND ADN 0.01184 0.41634 5.22648
277 1TDF FAD 0.01256 0.41434 5.22648
278 1V8B NAD 0.008195 0.41338 5.22648
279 1TDF NAP 0.02786 0.41187 5.22648
280 2Q1S NAI 0.01308 0.411 5.22648
281 3GRU AMP 0.000113 0.47633 5.42373
282 4D79 ATP 0.00008696 0.46719 5.43478
283 4XUC SAM 0.0009168 0.45319 5.50459
284 4XUC 43G 0.0009168 0.45319 5.50459
285 2YVJ NAI 0.006701 0.40463 5.50459
286 5T67 JHZ 0.000008967 0.55733 5.57491
287 5T67 SAH 0.000007397 0.55456 5.57491
288 2BRY FAD 0.001794 0.43906 5.57491
289 3LKZ SFG 0.0005861 0.43761 5.57491
290 1BZL FAD 0.01567 0.4338 5.57491
291 2E5V FAD 0.01779 0.40487 5.57491
292 3TKA SAM 0.005256 0.40257 5.57491
293 2CJU PHX 0.01817 0.40811 5.78512
294 3X0D SAH 0.0000115 0.50561 5.92335
295 3DMH SAM 0.0002479 0.4579 5.92335
296 1MV8 NAD 0.00111 0.43956 5.92335
297 3UOY NAP 0.009744 0.43215 5.92335
298 3UOY FAD 0.009744 0.43215 5.92335
299 4RPL FAD 0.009054 0.43182 5.92335
300 4RPL 3UC 0.01213 0.42759 5.92335
301 4YUW 4JU 0.02413 0.42648 5.92335
302 4YUW S4M 0.02369 0.42648 5.92335
303 3DMH GMP 0.0003849 0.41248 5.92335
304 1MUU NAD 0.0009041 0.40641 5.92335
305 5BW4 SAM 0.000007092 0.5014 5.99251
306 2VT3 ATP 0.0002185 0.42626 6.04651
307 1EJ0 SAM 0.001759 0.41325 6.11111
308 4GQB 0XU 0.0003352 0.45829 6.27178
309 3S1S SAH 0.0004305 0.4346 6.27178
310 4D04 FAD 0.009692 0.42977 6.27178
311 4D04 NAP 0.009692 0.42977 6.27178
312 5FA5 MTA 0.0004041 0.42927 6.27178
313 2B9W FAD 0.01837 0.41264 6.27178
314 5EZ7 FAD 0.01318 0.40718 6.27178
315 2AQJ FAD 0.02731 0.40646 6.27178
316 2AQJ TRP 0.02648 0.40646 6.27178
317 1KOL NAD 0.01521 0.40138 6.27178
318 3GMB FAD 0.01454 0.40014 6.27178
319 2HNK SAH 0.001263 0.42842 6.27615
320 2ZFU SAH 0.00002326 0.50073 6.51163
321 1G60 SAM 0.00003994 0.49602 6.53846
322 4EMJ FAD 0.00787 0.41727 6.54206
323 2ZIF SAM 0.00007739 0.47339 6.62021
324 4RSL FAD 0.0008664 0.4568 6.62021
325 5FJN FAD 0.001287 0.45583 6.62021
326 5FJN BE2 0.001496 0.45583 6.62021
327 2R4J 13P 0.002931 0.44765 6.62021
328 2V3V MGD 0.005599 0.44609 6.62021
329 1UWK NAD 0.003956 0.43651 6.62021
330 1O97 FAD 0.00848 0.42843 6.62021
331 1O97 AMP 0.00848 0.42843 6.62021
332 2GCG DGY 0.03111 0.40924 6.62021
333 1WG8 SAM 0.0001447 0.47375 6.66667
334 2WA2 SAM 0.000963 0.42028 6.88406
335 4PLG NAI 0.00504 0.42388 6.88623
336 1R37 NAD 0.007758 0.41223 6.91643
337 3BGD SAH 0.00001348 0.51525 6.92308
338 3BGD PM6 0.00004616 0.50053 6.92308
339 5I39 FAD 0.001439 0.44933 6.96864
340 1NVM NAD 0.00177 0.43933 6.96864
341 3T31 DCQ 0.01374 0.41927 7.31707
342 3T31 FAD 0.01283 0.41927 7.31707
343 5J60 FAD 0.007491 0.41922 7.31707
344 2PT9 2MH 0.006018 0.41711 7.31707
345 2PT9 S4M 0.003415 0.41711 7.31707
346 2BZG SAH 0.000005193 0.51572 7.32759
347 3LCC SAH 0.000003113 0.51523 7.65957
348 1U2Z SAH 0.001112 0.43446 7.66551
349 1RYI FAD 0.004186 0.43163 7.66551
350 1UXG NAD 0.0097 0.41218 7.66551
351 3FZG SAM 0.000007084 0.54682 8
352 3DXY SAM 0.000003246 0.57723 8.01394
353 4M38 SAH 0.00002677 0.49819 8.01394
354 4M37 SAH 0.00003692 0.48658 8.01394
355 3A25 SAM 0.0004308 0.45646 8.01394
356 1LVL NAD 0.0009456 0.43366 8.01394
357 5U8U FAD 0.01499 0.42199 8.01394
358 3IHG FAD 0.00431 0.41715 8.01394
359 3OJO NAD 0.00301 0.41621 8.01394
360 2DKH 3HB 0.008563 0.41562 8.01394
361 2DKH FAD 0.006119 0.41562 8.01394
362 2HMT NAI 0.003689 0.41077 8.33333
363 5E9W SAH 0.000002821 0.48648 8.36237
364 4KRG SAH 0.00002219 0.48295 8.36237
365 1XDS SAM 0.0003933 0.4728 8.36237
366 1QZZ SAM 0.0005474 0.46613 8.36237
367 4BJZ P3A 0.01812 0.42093 8.36237
368 1E1M FAD 0.02082 0.4087 8.36237
369 3PFG SAM 0.02764 0.41889 8.36502
370 1JG3 ADN 0.00006342 0.4926 8.51064
371 4YRY NAD 0.0177 0.412 8.69565
372 4YRY FAD 0.01806 0.40372 8.69565
373 4ONQ SFG 0.000004465 0.54266 8.7108
374 4FZV SAM 0.000901 0.43454 8.7108
375 5JWC FAD 0.005662 0.41943 8.7108
376 5THY SAH 0.00001873 0.50466 9.05923
377 4BLW AMP 0.0008687 0.45423 9.05923
378 4BLW SAH 0.0007829 0.44605 9.05923
379 3GDN FAD 0.007022 0.4224 9.05923
380 3GDN HBX 0.009855 0.4224 9.05923
381 1UP7 NAD 0.003119 0.41879 9.05923
382 2PX8 SAH 0.002912 0.4096 9.05923
383 3GDH SAH 0.000009643 0.49112 9.12863
384 2VPY MGD 0.01016 0.42944 9.23077
385 1E6E FAD 0.006142 0.41897 9.375
386 5THZ SAH 0.00003466 0.49797 9.40767
387 4TXI FAD 0.002532 0.43121 9.40767
388 4II2 ATP 0.0002859 0.45532 9.63855
389 4EIP K2C 0.005702 0.43012 9.7561
390 4EIP FAD 0.005702 0.43012 9.7561
391 4USQ FAD 0.003563 0.42717 9.7561
392 4MO2 FDA 0.01497 0.40272 9.78261
393 3CBG SAH 0.001823 0.43323 9.91379
394 3A27 SAM 0.0009585 0.44137 9.92647
395 3HVJ 705 0.0002559 0.48161 9.95475
396 3LCV SAM 0.00008053 0.48253 9.96441
397 2CDU FAD 0.00331 0.43092 10.1045
398 1GET NAP 0.01114 0.42997 10.1045
399 1GET FAD 0.01051 0.42997 10.1045
400 1DMR PGD 0.02598 0.41168 10.1045
401 2CDU ADP 0.00185 0.40913 10.1045
402 1ZQ9 SAM 0.00006342 0.4926 10.1754
403 4Q3F TLA 0.008505 0.4316 10.2564
404 2A14 SAH 0.0002142 0.46262 10.2662
405 3PT9 SAH 0.0002303 0.44961 10.453
406 4OPC FDA 0.01162 0.44068 10.453
407 3ICT ADP 0.0004063 0.4184 10.453
408 3ICS FAD 0.007167 0.41809 10.453
409 3ICR FAD 0.008122 0.41462 10.453
410 3ICT FAD 0.008359 0.41406 10.453
411 3ICS ADP 0.0006372 0.41353 10.453
412 4IWN GEK 0.00001115 0.51874 10.4803
413 1SOW NAD 0.006319 0.4138 10.8014
414 3H2B SAH 0.00001804 0.49891 10.8374
415 1SQL GUN 0.01152 0.42215 10.9589
416 1Z3C SA8 0.00003295 0.5104 11.1498
417 3L9W AMP 0.001939 0.43496 11.1498
418 3L9W GSH 0.001972 0.43185 11.1498
419 1QO8 FAD 0.004744 0.43013 11.1498
420 5L95 AMP 0.001582 0.42121 11.25
421 2AOT SAH 0.0000003118 0.54502 11.4983
422 1F3L SAH 0.0001097 0.46526 11.4983
423 1JQD SAH 0.000005222 0.46335 11.4983
424 1JQD HSM 0.00007399 0.44387 11.4983
425 1CF2 NAP 0.007372 0.40429 11.4983
426 5M58 SAH 0.00001322 0.50491 11.7391
427 2ZWA SAH 0.0004303 0.44992 11.8467
428 2JHF NAD 0.0425 0.42191 11.8467
429 4CNK FAD 0.009013 0.41362 11.8467
430 3SSO SAH 0.003281 0.41112 11.8467
431 3P2E SAH 0.00005304 0.48581 12
432 4TQG NDP 0.008836 0.40364 12.1951
433 5XVQ SAH 0.0004011 0.4357 12.3239
434 5FA8 SAM 0.0001177 0.47559 12.4224
435 4OBW SAM 0.00009049 0.4859 12.4514
436 3S5W FAD 0.001815 0.43621 12.5436
437 1P1C SAH 0.0006419 0.44452 12.5628
438 5DLY SAH 0.00004547 0.51506 12.782
439 5DLY 5D7 0.00005224 0.51506 12.782
440 1ZMD NAI 0.0005714 0.41969 12.892
441 5TTJ FAD 0.007207 0.41899 12.892
442 2F5Z FAD 0.01516 0.40807 12.892
443 4QTU SAM 0.0000004161 0.58034 12.9808
444 4CVN ADP 0.02753 0.40172 13.1387
445 1R18 SAH 0.0002839 0.45749 13.2159
446 4PNE SAH 0.000000003378 0.66707 13.2404
447 3T7S SAM 0.00000008078 0.58588 13.2404
448 3TLJ SAH 0.0001372 0.45465 13.2404
449 3VC1 SAH 0.00000009795 0.63908 13.7821
450 3VC1 GST 0.00000009795 0.45974 13.7821
451 5ULP KB1 0.0006489 0.44613 13.806
452 4LWP SAH 0.0001112 0.4614 13.9373
453 1DL5 SAH 0.0004782 0.45522 13.9373
454 1GPE FAD 0.005208 0.43105 14.2857
455 1N2X SAM 0.00005396 0.46999 14.6341
456 1FP1 SAH 0.00113 0.41578 14.6341
457 1JNR FAD 0.02341 0.41714 14.6667
458 3Q87 SAM 0.0003845 0.43621 14.7059
459 2NXE SAM 0.000014 0.5211 14.9606
460 3EGV SAH 0.00003474 0.50958 14.9606
461 2JAC GSH 0.01448 0.41806 15.4545
462 5DX1 SFG 0.000215 0.4683 15.7895
463 5DX8 SFG 0.0002816 0.45961 15.7895
464 5DXA SFG 0.0002043 0.44745 15.7895
465 5N5D SAM 0.0005059 0.4351 15.9292
466 4MP8 NAD 0.01688 0.40037 16.3763
467 2XVM SAH 0.000004778 0.49093 16.5829
468 5MBX FAD 0.01466 0.41656 16.7247
469 5MBX SP5 0.01466 0.41656 16.7247
470 3BXO SAM 0.000006465 0.49081 17.1548
471 4NEC SAH 0.000002218 0.56971 18.1818
472 4NTD FAD 0.004183 0.42857 18.8235
473 3JWH SAH 0.00001436 0.46973 18.894
474 4D42 W0I 0.01362 0.41509 19.1489
475 4D42 NAP 0.01362 0.41509 19.1489
476 4YSX FAD 0.01119 0.41133 19.2308
477 1TUU AMP 0.01619 0.40929 19.5122
478 5JE0 AZ8 0.00001814 0.5234 20.2429
479 5JE0 SAH 0.00001814 0.5234 20.2429
480 5E8J SAH 0.000004349 0.56361 20.4545
481 5JGL SAM 0.0000748 0.46274 20.5575
482 1KYZ SAH 0.003543 0.40235 20.9059
483 3TKY SAH 0.0008029 0.43193 21.6028
484 5MGZ SAH 0.000006714 0.51736 22.0339
485 3NDJ SAH 0.000006529 0.56486 22.9965
486 3NDJ JHZ 0.000006529 0.56486 22.9965
487 2EJU SAH 0.0001997 0.47097 23.6934
488 5KOK SAH 0.000000002136 0.65864 25.784
489 5KOK S9T 0.00000006142 0.63725 25.784
490 5KOK R9T 0.0000001302 0.62092 25.784
491 5GM1 SAH 0.000000006723 0.62081 27.8746
492 4KRI SAH 0.00000002034 0.6282 28.5714
493 4R6W SAH 0.00000005967 0.51111 29.845
494 4R6W PC 0.0000002852 0.40176 29.845
495 1VE3 SAM 0.000009895 0.52765 35.6828
Pocket No.: 2; Query (leader) PDB : 1L1E; Ligand: SAH; Similar sites found: 63
This union binding pocket(no: 2) in the query (biounit: 1l1e.bio2) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1WUW TSU 0.01296 0.4158 None
2 2QQF A1R 0.004291 0.41968 1.39373
3 2OD9 A1R NCA 0.00671 0.4166 1.39373
4 1EU1 MGD 0.011 0.41481 1.74216
5 1DXY NAD 0.007354 0.41073 1.74216
6 3QWI CUE 0.02808 0.40029 1.85185
7 3QWI NAP 0.01842 0.40016 1.85185
8 5J7X FAD 0.0204 0.40325 2.09059
9 3NJ4 AFX 0.04329 0.42264 2.43902
10 5DN9 NAD 0.01272 0.40756 2.43902
11 3CMC NAD 0.0472 0.40351 2.43902
12 3U4C NDP 0.0105 0.40651 2.4911
13 1U3U BNF 0.01443 0.41403 2.78746
14 1U3U NAD 0.01443 0.41403 2.78746
15 1H6C NDP 0.0168 0.40622 2.78746
16 5XLX SAH 0.006496 0.40155 2.83688
17 1DSS NAD 0.003689 0.4226 3.13589
18 2FZW NAD 0.0159 0.41291 3.13589
19 1ZGA SAH 0.001907 0.41189 3.13589
20 4XZ3 COA 0.009293 0.40172 3.13589
21 5ITV NAI 0.01169 0.4069 3.13725
22 1G0N PHH 0.02586 0.40113 3.18021
23 5TUK FAD 0.01081 0.40722 3.48432
24 4UUG PXG 0.008695 0.40454 3.48432
25 2DT5 NAD 0.0003516 0.40082 3.79147
26 3C3Y SAH 0.006047 0.40477 3.79747
27 5G3U ITW 0.01455 0.4156 3.83275
28 3CIF NAD 0.006779 0.41508 3.83275
29 3CIF G3H 0.01871 0.402 3.83275
30 3SJ7 NDP 0.01407 0.40074 3.96825
31 1V5F FAD 0.02598 0.41536 4.18118
32 4YAG NAI 0.0157 0.4123 4.18118
33 3RIY NAD 0.007219 0.41516 4.3956
34 2YYY NAP 0.006993 0.41447 4.52962
35 5KMS NAD 0.03825 0.40396 4.69136
36 2RGH FAD 0.00448 0.43607 4.87805
37 4CCW VKC 0.01214 0.4074 4.87805
38 5GT9 NAP 0.01137 0.40745 4.94297
39 2C31 ADP 0.04347 0.40746 5.22648
40 2C31 TZD 0.0445 0.40746 5.22648
41 2AG8 NAP 0.004269 0.41315 5.32319
42 1S7G NAD 0.01398 0.40336 5.5336
43 1BXG NAD 0.0058 0.41534 5.57491
44 3CH6 NAP 0.04968 0.40011 5.59441
45 3CH6 311 0.04968 0.40011 5.59441
46 1PL6 NAD 0.004298 0.41303 5.92335
47 1PL6 572 0.009856 0.41148 5.92335
48 1VM6 NAD 0.008136 0.40732 6.14035
49 1PS9 NAP 0.008661 0.40755 6.27178
50 3OID NDP 0.01643 0.40245 6.58915
51 5JE8 NAD 0.00156 0.40709 6.62021
52 3BPX SAL 0.02046 0.40696 6.75676
53 2IVF MGD 0.01092 0.41596 6.96864
54 1K3T BRZ 0.01234 0.40817 6.96864
55 1CDO NAD 0.01113 0.40267 6.96864
56 1X7D ORN 0.01275 0.41181 7.66551
57 1X7D NAD 0.008678 0.41024 7.66551
58 1EZ4 NAD 0.009812 0.40512 8.01394
59 2Q28 ADP 0.006046 0.40477 8.36237
60 3SQP FAD 0.03239 0.43931 10.453
61 1L7E NAI 0.008056 0.40601 11.4983
62 1P0F NAP 0.01298 0.406 12.1951
63 1VJT NAD 0.006697 0.40285 13.5889
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