Receptor
PDB id Resolution Class Description Source Keywords
3LKZ 2 Å EC: 2.-.-.- STRUCTURAL AND FUNCTIONAL ANALYSES OF A CONSERVED HYDROPHOBI OF FLAVIVIRUS METHYLTRANSFERASE WEST NILE VIRUS WEST NILE VIRUS FLAVIVIRUS METHYLTRANSFERASE INHIBITOR PNUCLEOTIDE-BINDING RNA REPLICATION VIRAL PROTEIN
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSES OF A CONSERVED HYDROPHOBIC POCKET OF FLAVIVIRUS METHYLTRANSFERASE. J.BIOL.CHEM. V. 285 32586 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:302;
B:302;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SFG A:301;
B:301;
Valid;
Valid;
none;
none;
submit data
381.387 C15 H23 N7 O5 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LKZ 2 Å EC: 2.-.-.- STRUCTURAL AND FUNCTIONAL ANALYSES OF A CONSERVED HYDROPHOBI OF FLAVIVIRUS METHYLTRANSFERASE WEST NILE VIRUS WEST NILE VIRUS FLAVIVIRUS METHYLTRANSFERASE INHIBITOR PNUCLEOTIDE-BINDING RNA REPLICATION VIRAL PROTEIN
Ref.: STRUCTURAL AND FUNCTIONAL ANALYSES OF A CONSERVED HYDROPHOBIC POCKET OF FLAVIVIRUS METHYLTRANSFERASE. J.BIOL.CHEM. V. 285 32586 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 3LKZ - SFG C15 H23 N7 O5 c1nc(c2c(n....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 211 families.
1 5MRK - SFG C15 H23 N7 O5 c1nc(c2c(n....
2 3LKZ - SFG C15 H23 N7 O5 c1nc(c2c(n....
3 2PX5 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 2PXA - SAH C14 H20 N6 O5 S c1nc(c2c(n....
5 5E9Q - SAM C15 H22 N6 O5 S C[S@@+](CC....
6 5EHG - 5O0 C20 H16 Cl N3 O6 S c1cc(cc(c1....
7 5EC8 - 5LP C15 H14 Cl N3 O3 Cc1ccc(c(c....
50% Homology Family (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3EVA - SAH C14 H20 N6 O5 S c1nc(c2c(n....
2 3EVC - SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 3EVF - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 3EVB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
5 3EVD - SAH C14 H20 N6 O5 S c1nc(c2c(n....
6 3EVE - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 3ELU - SAM C15 H22 N6 O5 S C[S@@+](CC....
8 3ELW - SAM C15 H22 N6 O5 S C[S@@+](CC....
9 3EMD - SFG C15 H23 N7 O5 c1nc(c2c(n....
10 3ELD - SFG C15 H23 N7 O5 c1nc(c2c(n....
11 3ELY - SAH C14 H20 N6 O5 S c1nc(c2c(n....
12 3EMB - SAM C15 H22 N6 O5 S C[S@@+](CC....
13 2P3L - G3A C20 H27 N10 O17 P3 c1nc(c2c(n....
14 2P41 - G1G C22 H32 N10 O18 P3 Cn1c[n+](c....
15 1L9K - SAH C14 H20 N6 O5 S c1nc(c2c(n....
16 5M5B - SAM C15 H22 N6 O5 S C[S@@+](CC....
17 5GOZ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
18 5GP1 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
19 5KQR - SAM C15 H22 N6 O5 S C[S@@+](CC....
20 5ULP Kd = 24.3 uM KB1 C21 H26 F N7 O5 c1cc(ccc1C....
21 5MRK - SFG C15 H23 N7 O5 c1nc(c2c(n....
22 5WXB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
23 5KQS - SAM C15 H22 N6 O5 S C[S@@+](CC....
24 3LKZ - SFG C15 H23 N7 O5 c1nc(c2c(n....
25 3EVG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
26 2PX5 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
27 2PXA - SAH C14 H20 N6 O5 S c1nc(c2c(n....
28 2PX8 - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
29 2PX2 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
30 2PX4 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
31 5E9Q - SAM C15 H22 N6 O5 S C[S@@+](CC....
32 5EHG - 5O0 C20 H16 Cl N3 O6 S c1cc(cc(c1....
33 5EKX - 2CQ C7 H9 Cl N2 Cc1cc(c(cc....
34 4R8S - SFG C15 H23 N7 O5 c1nc(c2c(n....
35 4CTJ - 3A9 C9 H8 O3 c1cc2c(cc1....
36 4CTK - SAM C15 H22 N6 O5 S C[S@@+](CC....
37 5EC8 - 5LP C15 H14 Cl N3 O3 Cc1ccc(c(c....
38 5EIW - X0V C7 H7 F3 N2 c1cc(c(cc1....
39 3P8Z - SAH C14 H20 N6 O5 S c1nc(c2c(n....
40 5CUQ ic50 = 7.7 uM NSC C21 H20 N6 O Cc1cc(c2cc....
41 5EIF - 4M0 C8 H9 N O2 Cc1ccc(c(c....
42 5EHI - 5O3 C20 H17 Cl N4 O5 S c1cc(cc(c1....
43 3P97 - SAM C15 H22 N6 O5 S C[S@@+](CC....
44 3GCZ - SAM C15 H22 N6 O5 S C[S@@+](CC....
45 2WA2 - SAM C15 H22 N6 O5 S C[S@@+](CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SFG; Similar ligands found: 218
No: Ligand ECFP6 Tc MDL keys Tc
1 SFG 1 1
2 0UM 0.689655 0.887324
3 SAI 0.654762 0.940298
4 SA8 0.642857 0.9
5 SAH 0.635294 0.954545
6 EEM 0.62069 0.875
7 5X8 0.619048 0.924242
8 S7M 0.606742 0.875
9 RAB 0.597222 0.850746
10 XYA 0.597222 0.850746
11 ADN 0.597222 0.850746
12 5CD 0.594595 0.863636
13 5N5 0.581081 0.850746
14 62X 0.574468 0.84
15 A4D 0.573333 0.850746
16 K15 0.568421 0.863014
17 DTA 0.564103 0.84058
18 6RE 0.560976 0.833333
19 SAM 0.555556 0.875
20 EP4 0.551282 0.802817
21 KB1 0.55102 0.887324
22 M2T 0.544304 0.780822
23 SMM 0.537634 0.84
24 MTA 0.5375 0.826087
25 ZAS 0.53012 0.816901
26 A 0.53012 0.77027
27 AMP 0.53012 0.77027
28 J7C 0.529412 0.84507
29 3DH 0.52439 0.826087
30 GJV 0.523256 0.821918
31 SON 0.522727 0.813333
32 0XU 0.522222 0.938462
33 SRP 0.521277 0.813333
34 SSA 0.521277 0.697674
35 AMP MG 0.517647 0.75
36 AOC 0.517647 0.826087
37 CA0 0.516854 0.776316
38 5AL 0.516129 0.786667
39 AMO 0.515464 0.813333
40 DSZ 0.515464 0.717647
41 GSU 0.515152 0.738095
42 KH3 0.514286 0.851351
43 A2D 0.511628 0.75
44 A3N 0.511628 0.814286
45 ABM 0.511628 0.75
46 A5A 0.510638 0.682353
47 5CA 0.510417 0.697674
48 SRA 0.505882 0.730769
49 S4M 0.505747 0.792208
50 AN2 0.505618 0.74026
51 A7D 0.505618 0.882353
52 A3S 0.505618 0.895522
53 GAP 0.505376 0.776316
54 LSS 0.5 0.681818
55 VMS 0.5 0.666667
56 DSH 0.5 0.871429
57 AP2 0.5 0.766234
58 LAD 0.5 0.818182
59 ADX 0.5 0.678571
60 BA3 0.5 0.75
61 M33 0.5 0.74026
62 A12 0.5 0.766234
63 KAA 0.5 0.712644
64 54H 0.5 0.666667
65 Y3J 0.5 0.80303
66 SXZ 0.49505 0.875
67 ME8 0.49505 0.775
68 AHX 0.494949 0.759494
69 TSB 0.494845 0.674419
70 53H 0.494845 0.659091
71 G5A 0.494624 0.697674
72 50T 0.494505 0.74026
73 AP5 0.494382 0.75
74 5AS 0.494382 0.640449
75 ADP 0.494382 0.75
76 B4P 0.494382 0.75
77 8QN 0.489796 0.786667
78 GEK 0.489796 0.913043
79 5AD 0.486842 0.828125
80 PAJ 0.484848 0.728395
81 52H 0.484536 0.659091
82 AU1 0.483516 0.730769
83 ADP MG 0.483516 0.74026
84 MAO 0.483146 0.782051
85 NEC 0.482759 0.797101
86 A3G 0.482759 0.882353
87 3AM 0.482353 0.733333
88 YAP 0.480769 0.802632
89 7D7 0.480519 0.794118
90 TXA 0.480392 0.766234
91 NB8 0.480392 0.782051
92 NVA LMS 0.48 0.681818
93 DAL AMP 0.479592 0.786667
94 ATF 0.479167 0.721519
95 ATP 0.478261 0.75
96 BEF ADP 0.478261 0.721519
97 ACP 0.478261 0.753247
98 ADP BEF 0.478261 0.721519
99 A3T 0.478261 0.852941
100 7MD 0.476636 0.775
101 XAH 0.47619 0.775
102 YSA 0.47619 0.697674
103 PRX 0.473118 0.753247
104 APR 0.473118 0.773333
105 AR6 0.473118 0.773333
106 AQP 0.473118 0.75
107 APC 0.473118 0.766234
108 5FA 0.473118 0.75
109 WAQ 0.470588 0.815789
110 4AD 0.47 0.802632
111 NSS 0.47 0.697674
112 AD9 0.468085 0.730769
113 RBY 0.468085 0.789474
114 AGS 0.468085 0.7125
115 SAP 0.468085 0.7125
116 ADV 0.468085 0.789474
117 ADP PO3 0.468085 0.77027
118 A5D 0.468085 0.84058
119 MHZ 0.467391 0.782051
120 FA5 0.466667 0.813333
121 PTJ 0.466019 0.7375
122 00A 0.465347 0.746835
123 D3Y 0.464646 0.869565
124 ATP MG 0.463158 0.74026
125 VRT 0.463158 0.871429
126 LEU LMS 0.460784 0.662921
127 OOB 0.46 0.786667
128 S8M 0.46 0.859155
129 ADP VO4 0.459184 0.74026
130 VO4 ADP 0.459184 0.74026
131 ACQ 0.458333 0.753247
132 TAT 0.458333 0.721519
133 ANP 0.458333 0.730769
134 AAT 0.453608 0.847222
135 2AM 0.453488 0.723684
136 FYA 0.451923 0.786667
137 YLC 0.451327 0.797468
138 DLL 0.45098 0.786667
139 A3P 0.450549 0.746667
140 YLP 0.45045 0.777778
141 A22 0.45 0.74026
142 ADP ALF 0.44898 0.7125
143 ALF ADP 0.44898 0.7125
144 TYR AMP 0.448598 0.789474
145 2VA 0.446809 0.828571
146 3UK 0.446602 0.776316
147 OAD 0.446602 0.776316
148 ANP MG 0.444444 0.7125
149 IOT 0.443478 0.768293
150 9SN 0.443396 0.7375
151 P5A 0.442308 0.704545
152 PR8 0.442308 0.807692
153 7D5 0.44186 0.714286
154 A1R 0.441176 0.769231
155 7C5 0.440367 0.797297
156 TT8 0.44 0.926471
157 YLA 0.439655 0.777778
158 YLB 0.438596 0.777778
159 1ZZ 0.438095 0.753086
160 3OD 0.438095 0.776316
161 BIS 0.438095 0.725
162 NVA 2AD 0.4375 0.816901
163 MAP 0.435644 0.7125
164 MYR AMP 0.433962 0.753086
165 NAI 0.433628 0.725
166 SO8 0.43299 0.816901
167 A6D 0.432692 0.74359
168 5SV 0.431373 0.7375
169 25A 0.431373 0.75
170 TYM 0.429825 0.813333
171 WSA 0.429825 0.705882
172 3NZ 0.428571 0.833333
173 ARG AMP 0.428571 0.765432
174 LAQ 0.428571 0.753086
175 ADQ 0.427184 0.753247
176 7MC 0.426087 0.756098
177 48N 0.424779 0.759494
178 LPA AMP 0.424779 0.753086
179 JB6 0.424528 0.746835
180 PPS 0.424242 0.658824
181 AYB 0.423729 0.768293
182 PAP 0.42268 0.736842
183 OVE 0.422222 0.696203
184 3AD 0.421687 0.863636
185 4YB 0.419643 0.72093
186 CMP 0.419355 0.753425
187 2BA 0.419355 0.743243
188 A2P 0.419355 0.733333
189 ADP BMA 0.419048 0.753247
190 4UV 0.418182 0.75641
191 ALF ADP 3PG 0.417391 0.75
192 LA8 ALF 3PG 0.417391 0.75
193 AHZ 0.415929 0.731707
194 QQX 0.41573 0.670886
195 A A 0.415094 0.75
196 AP0 0.413793 0.695122
197 ATP A A A 0.412844 0.76
198 RP1 0.411111 0.705128
199 QQY 0.411111 0.679487
200 SP1 0.411111 0.705128
201 ACK 0.411111 0.716216
202 AFH 0.410714 0.728395
203 4UU 0.410714 0.75641
204 DND 0.408696 0.766234
205 TXD 0.408696 0.725
206 NXX 0.408696 0.766234
207 7D3 0.408602 0.696203
208 25L 0.407407 0.74026
209 CC5 0.407407 0.876923
210 TAD 0.40708 0.75
211 AMP DBH 0.405405 0.753247
212 TXE 0.405172 0.725
213 OMR 0.405172 0.743902
214 AF3 ADP 3PG 0.405172 0.75
215 MTP 0.404762 0.72973
216 N0B 0.401575 0.777778
217 V3L 0.4 0.773333
218 YLY 0.4 0.768293
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LKZ; Ligand: SFG; Similar sites found: 435
This union binding pocket(no: 1) in the query (biounit: 3lkz.bio2) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GXU 2HP 0.01388 0.40171 None
2 2YX1 SFG 0.000003209 0.5086 0.934579
3 3GMB FAD 0.01556 0.40166 0.934579
4 4O1M NAD 0.007512 0.41112 1.26984
5 2VVM FAD 0.002323 0.44571 1.55763
6 4Z24 FAD 0.003709 0.43836 1.55763
7 3L8H FX1 0.02037 0.41562 1.67598
8 4Q9N NAI 0.009001 0.40888 1.67785
9 4BV6 FAD 0.003121 0.44084 1.82556
10 1U2Z SAH 0.0001082 0.48183 1.86916
11 5EB4 FAD 0.001384 0.45604 1.86916
12 1UWK NAD 0.003217 0.44405 1.86916
13 2XVE FAD 0.006485 0.43988 1.86916
14 2XVF FAD 0.003431 0.43475 1.86916
15 5BUK FAD 0.005599 0.43194 1.86916
16 1QO8 FAD 0.005146 0.43178 1.86916
17 1PN0 FAD 0.007476 0.42867 1.86916
18 1PN0 IPH 0.007784 0.42867 1.86916
19 1H82 GZZ 0.01391 0.42455 1.86916
20 1H82 FAD 0.01185 0.42455 1.86916
21 5G3U FDA 0.006348 0.42363 1.86916
22 3Q9T FAY 0.006361 0.42359 1.86916
23 4NTC FAD 0.01715 0.40665 1.86916
24 2NVK FAD 0.01744 0.40632 1.86916
25 5L53 NAP 0.007257 0.40155 1.86916
26 2OBF SAH 0.003211 0.44126 2.07612
27 2OBF F83 0.003211 0.44126 2.07612
28 1A27 NAP 0.0111 0.40358 2.07612
29 4M73 SAH 0.0001473 0.49557 2.18069
30 1E1M FAD 0.001295 0.46873 2.18069
31 5X62 SAH 0.0003251 0.46435 2.18069
32 3X0D SAH 0.0002195 0.46237 2.18069
33 5JCM ISD 0.003236 0.45715 2.18069
34 5JCM FAD 0.003134 0.45715 2.18069
35 5JCM NAD 0.003236 0.45715 2.18069
36 5JAQ NAI 0.001793 0.44979 2.18069
37 4PIO AVI 0.002254 0.43827 2.18069
38 4PIO SAH 0.002402 0.43827 2.18069
39 3ZNN FAD 0.00783 0.43386 2.18069
40 2CDU FAD 0.003514 0.43316 2.18069
41 1KEW NAD 0.01036 0.42439 2.18069
42 1RYI FAD 0.01068 0.41618 2.18069
43 3T31 DCQ 0.01837 0.41611 2.18069
44 3T31 FAD 0.01719 0.41611 2.18069
45 1KEW TYD 0.01495 0.41608 2.18069
46 3CTY FAD 0.002094 0.45179 2.19436
47 3A27 SAM 0.0000315 0.50342 2.20588
48 3DUW SAH 0.0004231 0.45032 2.24215
49 2YY7 NAD 0.009638 0.40756 2.24359
50 4HXY NDP 0.0002981 0.47474 2.28311
51 1E6E FAD 0.0004607 0.47314 2.34375
52 1UAY ADN 0.001569 0.44295 2.47934
53 3TKA SAM 0.00003188 0.50018 2.49221
54 2PT9 S4M 0.0001227 0.48333 2.49221
55 2PT9 2MH 0.0002411 0.48317 2.49221
56 3L9W AMP 0.0002088 0.48161 2.49221
57 3L9W GSH 0.0008118 0.45246 2.49221
58 1RJD SAM 0.0006416 0.44472 2.49221
59 4USR FAD 0.003152 0.43174 2.49221
60 2IZ1 ATR 0.008792 0.42809 2.49221
61 3V1U NAD 0.00269 0.42504 2.49221
62 1RP0 AHZ 0.006149 0.41751 2.49221
63 4D04 NAP 0.02576 0.41217 2.49221
64 4D04 FAD 0.02576 0.41217 2.49221
65 1ORR NAD 0.0111 0.40718 2.49221
66 2B9W FAD 0.02729 0.40716 2.49221
67 5L4S NAP 0.01186 0.4102 2.51572
68 5L4S 6KX 0.01186 0.4102 2.51572
69 2CBZ ATP 0.01992 0.41815 2.53165
70 5ITV NAI 0.004426 0.42263 2.7451
71 4YAG NAI 0.01867 0.40583 2.76817
72 3VYW SAM 0.0000318 0.48963 2.80374
73 4Y2H SAH 0.0002619 0.48802 2.80374
74 4Y2H 49K 0.0003553 0.48196 2.80374
75 2C7G ODP 0.002264 0.45805 2.80374
76 2C7G FAD 0.002352 0.45805 2.80374
77 1KYZ SAH 0.0003831 0.44751 2.80374
78 5HSA FAS 0.003922 0.43626 2.80374
79 3CGD NAD 0.01211 0.43559 2.80374
80 3CGD COA 0.01211 0.43559 2.80374
81 3CGD FAD 0.01211 0.43559 2.80374
82 1R6D NAD 0.006636 0.43509 2.80374
83 1KYZ FER 0.002012 0.43361 2.80374
84 1XHC FAD 0.004981 0.42629 2.80374
85 1PS9 FAD 0.007949 0.42211 2.80374
86 1R6D DAU 0.01748 0.41434 2.80374
87 2WHX ADP 0.01739 0.41415 2.80374
88 3UOY FAD 0.02922 0.41182 2.80374
89 3UOY NAP 0.02922 0.41182 2.80374
90 3NUG NAD 0.002496 0.4337 2.83401
91 1QAN SAH 0.000009726 0.50215 2.86885
92 3GDH SAH 0.00000005587 0.56527 2.90456
93 3QWI CUE 0.02331 0.40046 2.96296
94 3QWI NAP 0.01476 0.40046 2.96296
95 5MGZ SAH 0.0002911 0.45719 2.9661
96 1W6U NAP 0.004173 0.41517 2.98013
97 1W8D NAP 0.001897 0.40076 2.98013
98 2GDZ NAD 0.006363 0.41432 2.99625
99 5M58 SAH 0.00106 0.43345 3.04348
100 1QG6 NAD 0.01615 0.40963 3.06513
101 1QG6 TCL 0.01615 0.40963 3.06513
102 2AOT SAH 0.001009 0.41969 3.08219
103 4N49 SAM 0.000000003104 0.67083 3.11526
104 2JHP SAH 0.0001415 0.48029 3.11526
105 3DMH SAM 0.00006544 0.47613 3.11526
106 4REP FAD 0.001079 0.45989 3.11526
107 3S1S SAH 0.00008426 0.45753 3.11526
108 1I8T FAD 0.001265 0.45674 3.11526
109 4DCM SAM 0.0003984 0.43643 3.11526
110 1D4D FAD 0.004704 0.43453 3.11526
111 1N4W FAD 0.005117 0.43284 3.11526
112 1ELI PYC 0.005057 0.42814 3.11526
113 2BRY FAD 0.003869 0.42775 3.11526
114 3DMH GMP 0.0001077 0.42756 3.11526
115 5FTW SAH 0.0006539 0.43586 3.125
116 3H4V DVP 0.01127 0.41601 3.125
117 3H4V NAP 0.01302 0.4122 3.125
118 2AQJ FAD 0.01031 0.42951 3.15985
119 2AQJ TRP 0.009982 0.42951 3.15985
120 3HVJ 705 0.0000315 0.52733 3.16742
121 1XPJ TLA 0.007973 0.41556 3.1746
122 5E8J SAH 0.000006306 0.55356 3.20513
123 5E9W SAH 0.00001366 0.47654 3.20513
124 4XUC SAM 0.0001372 0.49418 3.21101
125 4XUC 43G 0.0001372 0.49418 3.21101
126 2VDV SAM 0.00001513 0.53601 3.25203
127 1WMA AB3 0.01934 0.40598 3.26087
128 1WMA NDP 0.01934 0.40598 3.26087
129 5CG1 NAD BBN 0.02411 0.41297 3.27869
130 4YUW S4M 0.00491 0.4639 3.28947
131 4YUW 4JU 0.00501 0.4639 3.28947
132 4JLS 3ZE 0.01675 0.4123 3.28947
133 1Z3C SA8 0.00002836 0.51843 3.3557
134 3OIG NAD 0.008073 0.40708 3.38346
135 3EGI ADP 0.003223 0.4479 3.39806
136 5THY SAH 0.000002404 0.54794 3.42679
137 5THZ SAH 0.000006698 0.5338 3.42679
138 5DX1 SFG 0.00001823 0.51933 3.42679
139 2UYQ SAM 0.0001675 0.51701 3.42679
140 5DX8 SFG 0.0000568 0.49386 3.42679
141 5DWQ SFG 0.0000705 0.49185 3.42679
142 3M6W SAM 0.0001135 0.48992 3.42679
143 5DX0 SFG 0.00008883 0.48943 3.42679
144 5DXA SFG 0.00006753 0.45995 3.42679
145 3GDN FAD 0.001951 0.45125 3.42679
146 3GDN HBX 0.002798 0.45125 3.42679
147 1V59 FAD 0.004931 0.4354 3.42679
148 1V59 NAD 0.0006903 0.4158 3.42679
149 2YVF FAD 0.02264 0.41367 3.42679
150 2YVF NAD 0.02332 0.41367 3.42679
151 1DL5 SAH 0.000002769 0.55707 3.47003
152 3I53 SAH 0.0006507 0.44446 3.61446
153 2O07 MTA 0.0005365 0.40388 3.61842
154 4FGC PQ0 0.0199 0.40875 3.63636
155 3RIY NAD 0.01315 0.4003 3.663
156 1G55 SAH 0.000002648 0.54349 3.73832
157 4ONQ SFG 0.00001092 0.52329 3.73832
158 4MO2 FDA 0.001186 0.45572 3.73832
159 5FJN BE2 0.004529 0.43713 3.73832
160 5FJN FAD 0.003944 0.43713 3.73832
161 5MBX SP5 0.01109 0.42521 3.73832
162 5MBX FAD 0.01109 0.42521 3.73832
163 5J7X FAD 0.00621 0.42406 3.73832
164 5KMS FAD 0.007354 0.4186 3.73832
165 3LAD FAD 0.01125 0.41605 3.73832
166 1G0N PHH 0.01213 0.41362 3.73832
167 1SB8 UD2 0.01875 0.41288 3.73832
168 1SB8 NAD 0.01619 0.41288 3.73832
169 2RGO FAD 0.01222 0.4096 3.73832
170 1G0N NDP 0.01338 0.4088 3.73832
171 2V3A FAD 0.01568 0.40564 3.73832
172 5KMS NAD 0.03174 0.40529 3.73832
173 1XDS SAM 0.0004891 0.46633 3.74332
174 4BLW AMP 0.0003083 0.47838 3.80623
175 4BLW SAH 0.0002045 0.47548 3.80623
176 3GU3 SAH 0.00002943 0.45745 3.87324
177 1YXM ADE 0.00009634 0.52652 3.9604
178 4POO SAM 0.0001554 0.477 4
179 1AE1 NAP 0.01071 0.40787 4.0293
180 5MPT SAH 0.000007312 0.51926 4.04984
181 1N2X SAM 0.000003577 0.51083 4.04984
182 4MIG G3F 0.003577 0.44455 4.04984
183 3NTD FAD 0.003808 0.43377 4.04984
184 1I2B NAD 0.00862 0.43043 4.04984
185 4AZW SAM 0.001339 0.42915 4.04984
186 1FEC FAD 0.01833 0.40955 4.04984
187 3DC4 ADP 0.02394 0.40322 4.04984
188 1IM8 SAI 0.00001886 0.4984 4.09836
189 3EGV SAH 0.0006043 0.45247 4.33071
190 2NXE SAM 0.0005079 0.45128 4.33071
191 4FC7 NAP 0.003475 0.43967 4.33213
192 4FC7 COA 0.003475 0.43967 4.33213
193 1QZZ SAM 0.0003372 0.47378 4.36137
194 4M37 SAH 0.0001554 0.46872 4.36137
195 3UCL FAD 0.006161 0.44361 4.36137
196 3UCL CYH 0.006161 0.44361 4.36137
197 3UCL NAP 0.006733 0.44361 4.36137
198 4FWE FAD 0.004476 0.43554 4.36137
199 3NT6 FAD 0.004117 0.43222 4.36137
200 1EK6 NAI 0.008276 0.43053 4.36137
201 4D7E FAD 0.004154 0.42987 4.36137
202 1BXK NAD 0.002678 0.4296 4.36137
203 1GET NAP 0.01584 0.42544 4.36137
204 1GET FAD 0.01499 0.42544 4.36137
205 1EK6 UPG 0.01166 0.42488 4.36137
206 1GOJ ADP 0.01691 0.42283 4.36137
207 5U8U FAD 0.02306 0.41572 4.36137
208 1W5T ADP 0.009227 0.40015 4.36137
209 2DTX BMA 0.002258 0.44522 4.54545
210 1WG8 SAM 0.000007734 0.53335 4.5614
211 2DPM SAM 0.00007461 0.48666 4.57746
212 3WV8 ATP 0.004593 0.40649 4.58716
213 4FZV SAM 0.000000643 0.5723 4.60251
214 3PT9 SAH 0.000001506 0.54649 4.6729
215 5TTJ FAD 0.002059 0.44705 4.6729
216 2AWN ADP 0.008631 0.44402 4.6729
217 2GVC FAD 0.001764 0.44305 4.6729
218 2WPF FAD 0.01623 0.43543 4.6729
219 4YRY FAD 0.005196 0.43159 4.6729
220 4NTD FAD 0.005169 0.42771 4.6729
221 2WPF WPF 0.02613 0.42618 4.6729
222 2DKH FAD 0.006184 0.41861 4.6729
223 2DKH 3HB 0.008597 0.41861 4.6729
224 3IHG FAD 0.005279 0.41659 4.6729
225 4YRY NAD 0.01656 0.41618 4.6729
226 2A14 SAH 0.004015 0.41257 4.6729
227 4RSL FAD 0.01014 0.41226 4.6729
228 2XT3 ADP 0.02683 0.40818 4.6729
229 2V6G NAP 0.01015 0.40655 4.6729
230 1NW5 SAM 0.00002588 0.50163 4.70219
231 3Q87 SAM 0.0003698 0.4327 4.70588
232 4CS9 AMP 0.002019 0.47966 4.7619
233 5BQ5 ADP BEF 0.005972 0.4161 4.7619
234 3FUU ADN 0.001325 0.42935 4.79705
235 1WY7 SAH 0.00000799 0.52817 4.83092
236 1I1N SAH 0.00000946 0.53575 4.86726
237 5HJM MTA 0.0000172 0.50913 4.98442
238 2EFJ SAH 0.00002351 0.48981 4.98442
239 4A6D SAM 0.0002743 0.45828 4.98442
240 1GPE FAD 0.004937 0.43538 4.98442
241 5BVA FAD 0.006782 0.42806 4.98442
242 3O26 NDP 0.009541 0.40651 4.98442
243 3FZG SAM 0.008595 0.40505 5
244 2PWY SAH 0.0000008453 0.57247 5.03876
245 3AD8 NAD 0.002107 0.44084 5.05051
246 3AD8 PYC 0.008026 0.43866 5.05051
247 3AD8 FAD 0.008026 0.43866 5.05051
248 4YSX FAD 0.008523 0.41975 5.12821
249 4TXI FAD 0.003481 0.42856 5.20325
250 1G60 SAM 0.00004279 0.4924 5.29595
251 1BZL FAD 0.01412 0.43892 5.29595
252 4CNK FAD 0.003347 0.43633 5.29595
253 1LVL NAD 0.003446 0.40596 5.29595
254 5K7U SAM 0.0002224 0.45659 5.33333
255 1JJ7 ADP 0.01963 0.41815 5.38462
256 1Q0S SAH 0.000005874 0.53852 5.40541
257 4II2 ATP 0.0009736 0.42899 5.52147
258 1TPY SAH 0.0005981 0.44799 5.57491
259 1KPH SAH 0.0006869 0.44541 5.57491
260 1L1E SAH 0.0005861 0.43761 5.57491
261 1KPG SAH 0.0007997 0.42652 5.57491
262 2BZG SAH 0.0005048 0.44229 5.60345
263 2EG5 SAH 0.00000898 0.54647 5.60748
264 4RPL 3UC 0.0008264 0.48725 5.60748
265 4RPL FAD 0.0007659 0.4867 5.60748
266 5I39 FAD 0.004164 0.43199 5.60748
267 1Y8Q ATP 0.0003686 0.4281 5.60748
268 5UAO FAD 0.01333 0.40887 5.60748
269 3X01 AMP 0.02827 0.40211 5.60748
270 5IL1 SAM 0.0002389 0.46543 5.66038
271 4BQS ADP 0.0187 0.40044 5.68182
272 1XKQ NDP 0.01014 0.40894 5.71429
273 2ZIF SAM 0.000057 0.48713 5.72391
274 1ZEM NAD 0.005308 0.41366 5.72519
275 1VE3 SAM 0.0003546 0.45801 5.72687
276 3MB5 SAM 0.000001002 0.5332 5.88235
277 4DMG SAM 0.0001174 0.50094 5.919
278 4EUE NAI 0.0001918 0.48476 5.919
279 3QVP FAD 0.003284 0.44177 5.919
280 3GXO SAH 0.001466 0.43978 5.919
281 2ZWA SAH 0.0006937 0.42839 5.919
282 3GWZ SAH 0.0005652 0.42571 5.919
283 1REO FAD 0.006431 0.42439 5.919
284 1G41 ADP 0.01323 0.40008 5.919
285 1JNR FAD 0.01048 0.43707 6
286 3G2O SAM 0.00004024 0.49883 6.02007
287 1P1C SAH 0.0007839 0.44482 6.03015
288 4IWN GEK 0.0001459 0.47623 6.11354
289 3O7W SAM 0.0003339 0.43541 6.12245
290 1MO9 KPC 0.004166 0.45961 6.23053
291 3ICS FAD 0.003048 0.43819 6.23053
292 3ICR FAD 0.002974 0.43757 6.23053
293 3ICT FAD 0.004078 0.43133 6.23053
294 4IEE AGS 0.01377 0.41111 6.23053
295 2RAB FAD 0.01937 0.40679 6.23053
296 2RAB NAD 0.036 0.40679 6.23053
297 2HMT NAI 0.001425 0.43184 6.25
298 2F5Z FAD 0.005607 0.431 6.25
299 3A25 SAM 0.0006714 0.44604 6.31229
300 3C3Y SAH 0.00005306 0.48845 6.32911
301 3DXY SAM 0.001292 0.4517 6.42202
302 1C3V PDC 0.01224 0.41946 6.53061
303 5KOK SAH 0.000001636 0.55234 6.54206
304 5KOK R9T 0.0000625 0.50803 6.54206
305 5KOK S9T 0.00007187 0.50681 6.54206
306 3RKR NAP 0.002283 0.44485 6.54206
307 3MJE NDP 0.002358 0.43344 6.54206
308 4ZCC FAD 0.007462 0.43113 6.54206
309 4ZCC NAI 0.007462 0.43113 6.54206
310 2Q1S NAI 0.005661 0.4308 6.54206
311 4C3Y FAD 0.007663 0.42284 6.54206
312 4AT0 FAD 0.01082 0.42112 6.54206
313 4C3Y ANB 0.01308 0.41644 6.54206
314 3LXD FAD 0.009344 0.41279 6.54206
315 4J36 1HR 0.01382 0.41278 6.54206
316 3SSO SAH 0.002495 0.41214 6.54206
317 4J36 FAD 0.008804 0.41171 6.54206
318 4EIP K2C 0.01673 0.41142 6.54206
319 4EIP FAD 0.01673 0.41142 6.54206
320 1O97 AMP 0.005908 0.43899 6.5625
321 1O97 FAD 0.005908 0.43899 6.5625
322 1R18 SAH 0.00001045 0.50091 6.60793
323 2WSB NAD 0.007187 0.42316 6.69291
324 4Q3F TLA 0.0294 0.40366 6.83761
325 2JJQ SAH 0.000002057 0.57602 6.85358
326 3S5W FAD 0.0006524 0.45961 6.85358
327 4X9M FAD 0.007638 0.42195 6.85358
328 3GEG NAD 0.00306 0.42561 6.88259
329 2AG5 NAD 0.006771 0.41312 6.91057
330 1KYQ NAD 0.002012 0.42941 6.93431
331 3OFK SAH 0.002243 0.40781 6.94444
332 2PXX SAH 0.000006032 0.52837 6.97674
333 1G6H ADP 0.02439 0.41211 7.00389
334 5DM1 SAH 0.0001811 0.4941 7.11611
335 5DM1 5D7 0.0001928 0.4941 7.11611
336 1XSE NDP 0.01904 0.40364 7.11864
337 4TM3 FAD 0.003038 0.46045 7.16511
338 3CV2 OXL 0.02427 0.40625 7.16511
339 5EOW FAD 0.01248 0.406 7.16511
340 3O03 NAP 0.003129 0.42371 7.2165
341 1ZQ9 SAM 0.0003999 0.45576 7.36842
342 4OBW SAM 0.001647 0.42921 7.393
343 5XVK SAH 0.001292 0.43548 7.39437
344 2WK1 SAH 0.006569 0.40169 7.44681
345 5MZI FYK 0.01343 0.42465 7.47664
346 5MZI FAD 0.01301 0.42465 7.47664
347 2BGM NAJ 0.005371 0.41344 7.47664
348 3D3W NAP 0.001733 0.44339 7.78689
349 1PR9 NAP 0.002254 0.43827 7.78689
350 4USQ FAD 0.002383 0.43843 7.78816
351 4RDH AMP 0.006321 0.4111 7.78816
352 5E1M SAH 0.00004271 0.51697 7.88382
353 5E1M PRO PRO LYS ARG ILE ALA 0.00004271 0.51697 7.88382
354 2W58 ADP 0.01736 0.40484 7.92079
355 3BGD SAH 0.0003715 0.43294 8.07692
356 3BGD PM6 0.0005753 0.40417 8.07692
357 3TKY SAH 0.0001687 0.4672 8.09969
358 3U4C NDP 0.0008476 0.45163 8.18505
359 1EJ0 SAM 0.00000005171 0.60662 8.33333
360 1MXH DHF 0.0119 0.41113 8.33333
361 1MXH NAP 0.01435 0.40741 8.33333
362 3A4T SFG 0.000001508 0.53324 8.39416
363 2PK3 A2R 0.005215 0.40415 8.41121
364 1XHL NDP 0.005145 0.42097 8.41751
365 1NFQ NAI 0.004704 0.42271 8.46154
366 2WD7 NAP 0.00784 0.40899 8.58209
367 2VZ0 D64 0.04467 0.40682 8.58209
368 2VZ0 NAP 0.04467 0.40682 8.58209
369 4NBW NAD 0.004173 0.41969 8.72274
370 3LCC SAH 0.00004925 0.47771 8.93617
371 3OJF NDP 0.007322 0.41759 8.94942
372 3OJF IMJ 0.01767 0.40605 8.94942
373 3FRH SAH 0.001861 0.42866 9.09091
374 4QTU SAM 0.000001895 0.54964 9.13461
375 4D42 W0I 0.01606 0.41461 9.21986
376 4D42 NAP 0.01606 0.41461 9.21986
377 2AE2 NAP 0.004676 0.43175 9.61539
378 2AE2 PTO 0.004676 0.43175 9.61539
379 3C6K SPD 0.0001579 0.4942 9.65732
380 3C6K MTA 0.0001579 0.4942 9.65732
381 1RSG FAD 0.001194 0.4611 9.65732
382 3JWH SAH 0.00003698 0.46049 10.1382
383 5DLY 5D7 0.002297 0.44488 10.1504
384 5DLY SAH 0.002055 0.44488 10.1504
385 2GAG NAD 0.001953 0.44588 10.4762
386 2GAG FAD 0.003972 0.43979 10.4762
387 2GAG FOA 0.00459 0.43686 10.4762
388 4QED NAP 0.01102 0.40373 10.5919
389 3G89 SAM 0.0001017 0.49782 10.8434
390 1KNR FAD 0.01849 0.40423 10.9034
391 1JG3 ADN 0.0002213 0.46685 11.0638
392 1RZ1 NAD 0.006102 0.43781 11.1801
393 3CBG SAH 0.0002917 0.46643 11.2069
394 4C4A SAH 0.00003054 0.49859 11.215
395 4YNU LGC 0.00424 0.44108 11.215
396 4YNU FAD 0.003562 0.44108 11.215
397 3F8D FAD 0.01906 0.42263 11.215
398 3TLJ SAH 0.000001838 0.5198 11.2601
399 3VSE SAH 0.00003058 0.46391 11.809
400 3LRE ADP 0.02613 0.41013 12.1127
401 5JCA FAD 0.002505 0.44624 12.4611
402 5JCA NDP 0.005602 0.44362 12.4611
403 5L95 AMP 0.001598 0.42591 12.5
404 1EDO NAP 0.01488 0.4003 12.7049
405 1YY5 FAD 0.002088 0.45185 12.7726
406 5JDI NAP 0.006387 0.41293 12.8472
407 4CLO NAP 0.006338 0.41171 12.8472
408 4CM9 NAP 0.007609 0.41087 12.8472
409 4CLR NAP 0.007531 0.40976 12.8472
410 5K6A NAP 0.008205 0.40942 12.8472
411 4CME NAP 0.007687 0.40937 12.8472
412 3JQ9 NAP 0.009495 0.4066 12.8472
413 5JDC NAP 0.009324 0.40566 12.8472
414 2R4J 13P 0.01396 0.41899 13.0841
415 2XVM SAH 0.00001351 0.48482 13.5678
416 2PZM NAD 0.01823 0.40718 13.7072
417 2PZM UDP 0.01823 0.40718 13.7072
418 4UCI SAM 0.0000004904 0.57446 14.0187
419 5MW4 5JU 0.00002155 0.53896 14.3302
420 3QOX SAH 0.00003009 0.50573 14.3302
421 1NV8 MEQ 0.0004046 0.46419 14.7887
422 1NV8 SAM 0.00046 0.46333 14.7887
423 3GRU AMP 0.004997 0.41017 15.9322
424 2XYQ SAH 0.000008215 0.52863 16.3934
425 4J1Q NDP 0.002659 0.42829 16.8224
426 2FK8 SAM 0.000847 0.4311 16.9811
427 2EJU SAH 0.0001335 0.47634 19.0031
428 1LSS NAD 0.0004328 0.45199 20
429 5THQ NDP 0.005071 0.4187 20.2206
430 3VC1 SAH 0.0004753 0.47733 20.8333
431 2V7Q ADP 0.01269 0.40866 22.7273
432 4X7Y SAH 0.01499 0.40936 23.7226
433 4GQB 0XU 0.000005842 0.53862 27.2727
434 4M38 SAH 0.0001182 0.46652 28.5714
435 5FA5 MTA 0.00006997 0.46406 30
Pocket No.: 2; Query (leader) PDB : 3LKZ; Ligand: SFG; Similar sites found: 13
This union binding pocket(no: 2) in the query (biounit: 3lkz.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4GLL NAD 0.01384 0.40172 2.49221
2 2PD4 NAD 0.01477 0.40377 2.54545
3 2PD4 DCN 0.01577 0.40247 2.54545
4 5J60 FAD 0.0138 0.41011 2.8125
5 4AG5 ADP 0.03212 0.40029 3.73832
6 4OPC FDA 0.045 0.41368 4.36137
7 4NAE 1GP 0.02439 0.40549 5.77778
8 1MO9 FAD 0.008173 0.44457 6.23053
9 1H9A NAP 0.01649 0.40052 6.54206
10 1MZV AMP 0.01532 0.40466 7.65957
11 3OID NDP 0.01492 0.40139 7.75194
12 3TN7 NJP 0.01136 0.40436 8.17121
13 5LNE A2G GAL 0.02389 0.40412 8.53659
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