Receptor
PDB id Resolution Class Description Source Keywords
4XUD 2.4 Å EC: 2.1.1.6 SYNTHESIS AND EVALUATION OF HETEROCYCLIC CATECHOL MIMICS AS OF CATECHOL-O-METHYLTRANSFERASE (COMT): STRUCTURE WITH CMPD( BIPHENYL-3-YL)-5-HYDROXY-4-OXO-1,4-DIHYDROPYRIDIN-3-YL]BOR HOMO SAPIENS COMT CATECHOL-O-METHYLTRANSFERASE
Ref.: SYNTHESIS AND EVALUATION OF HETEROCYCLIC CATECHOL M INHIBITORS OF CATECHOL-O-METHYLTRANSFERASE (COMT). ACS MED.CHEM.LETT. V. 6 318 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
43H A:301;
Valid;
none;
ic50 = 200 nM
307.108 C17 H14 B N O4 B(C1=...
SAM A:303;
Valid;
none;
submit data
398.437 C15 H22 N6 O5 S C[S@@...
MES A:304;
Invalid;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
MG A:302;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4XUC 1.8 Å EC: 2.1.1.6 SYNTHESIS AND EVALUATION OF HETEROCYCLIC CATECHOL MIMICS AS OF CATECHOL-O-METHYLTRANSFERASE (COMT): STRUCTURE WITH CMPD( BIPHENYL-3-YL)-3-HYDROXYPYRIDIN-4(1H)-ONE) HOMO SAPIENS COMT CATECHOL-O-METHYLTRANSFERASE
Ref.: SYNTHESIS AND EVALUATION OF HETEROCYCLIC CATECHOL M INHIBITORS OF CATECHOL-O-METHYLTRANSFERASE (COMT). ACS MED.CHEM.LETT. V. 6 318 2015
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3BWY - SAM C15 H22 N6 O5 S C[S@@+](CC....
2 4XUE ic50 = 170 nM 43J C17 H14 N2 O2 CN1C(=NC=C....
3 4XUD ic50 = 200 nM 43H C17 H14 B N O4 B(C1=CN(C=....
4 3BWM - SAM C15 H22 N6 O5 S C[S@@+](CC....
5 4XUC ic50 = 47 nM 43G C17 H13 N O2 c1ccc(cc1)....
70% Homology Family (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3OZT ic50 = 336000 nM OZZ C19 H19 N3 O9 c1c(cc(c(c....
2 3U81 Ki = 36 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 5K0F ic50 = 0.47 uM 6P1 C17 H19 N3 O S Cc1c(sc(n1....
4 3OZR ic50 = 31600 nM OZR C14 H16 N2 O8 c1c(cc(c(c....
5 5FHR - DNC C6 H4 N2 O6 c1c(cc(c(c....
6 3HVJ Ki = 2 nM 705 C28 H29 F N6 O6 CCCNc1c2c(....
7 3R6T ic50 = 1368 nM LU1 C26 H24 F N5 O5 Cc1c2c(ncn....
8 2CL5 - SAM C15 H22 N6 O5 S C[S@@+](CC....
9 4P58 Ki = 63 uM 2F6 C8 H10 N4 Cc1c(cn(n1....
10 4PYQ ic50 = 4.4 uM 2X1 C15 H17 N5 O [H]/N=C(/c....
11 3OZS ic50 = 20900 nM OZS C18 H17 F3 N4 O8 c1c(cc(c(c....
12 4PYN ic50 ~ 30 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
13 3NWE ic50 = 25 nM 662 C29 H31 F N6 O5 CCCNc1c2c(....
14 4PYL - SFG C15 H23 N7 O5 c1nc(c2c(n....
15 4PYO ic50 ~ 30 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
16 3NW9 ic50 = 6 nM 637 C26 H24 F N5 O6 Cc1c2c(ncn....
17 3OE4 Ki = 34 nM 610 C19 H18 N6 O8 c1c(cc(c(c....
18 3NWB ic50 = 11 nM 659 C26 H24 F2 N6 O5 CNc1c2c(nc....
19 3HVH Ki = 3 nM 542 C26 H25 F N6 O6 CNc1c2c(nc....
20 1VID - SAM C15 H22 N6 O5 S C[S@@+](CC....
21 3OE5 ic50 = 596 nM 611 C19 H19 N3 O8 S c1cnccc1S[....
22 3HVI Ki = 5 nM 619 C27 H27 F N6 O6 CCNc1c2c(n....
23 2ZVJ - SAM C15 H22 N6 O5 S C[S@@+](CC....
24 3S68 - SAM C15 H22 N6 O5 S C[S@@+](CC....
25 5FHQ - DNC C6 H4 N2 O6 c1c(cc(c(c....
26 4P7K - SFG C15 H23 N7 O5 c1nc(c2c(n....
27 3HVK Ki = 3 nM 719 C27 H27 F N6 O7 c1cc(ccc1c....
28 1H1D Ki = 6 nM BIA C20 H20 F3 N3 O5 c1cc(cc(c1....
29 3BWY - SAM C15 H22 N6 O5 S C[S@@+](CC....
30 4XUE ic50 = 170 nM 43J C17 H14 N2 O2 CN1C(=NC=C....
31 4XUD ic50 = 200 nM 43H C17 H14 B N O4 B(C1=CN(C=....
32 3BWM - SAM C15 H22 N6 O5 S C[S@@+](CC....
33 4XUC ic50 = 47 nM 43G C17 H13 N O2 c1ccc(cc1)....
50% Homology Family (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3OZT ic50 = 336000 nM OZZ C19 H19 N3 O9 c1c(cc(c(c....
2 3U81 Ki = 36 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
3 5K0F ic50 = 0.47 uM 6P1 C17 H19 N3 O S Cc1c(sc(n1....
4 3OZR ic50 = 31600 nM OZR C14 H16 N2 O8 c1c(cc(c(c....
5 5FHR - DNC C6 H4 N2 O6 c1c(cc(c(c....
6 3HVJ Ki = 2 nM 705 C28 H29 F N6 O6 CCCNc1c2c(....
7 3R6T ic50 = 1368 nM LU1 C26 H24 F N5 O5 Cc1c2c(ncn....
8 2CL5 - SAM C15 H22 N6 O5 S C[S@@+](CC....
9 4P58 Ki = 63 uM 2F6 C8 H10 N4 Cc1c(cn(n1....
10 4PYQ ic50 = 4.4 uM 2X1 C15 H17 N5 O [H]/N=C(/c....
11 3OZS ic50 = 20900 nM OZS C18 H17 F3 N4 O8 c1c(cc(c(c....
12 4PYN ic50 ~ 30 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
13 3NWE ic50 = 25 nM 662 C29 H31 F N6 O5 CCCNc1c2c(....
14 4PYL - SFG C15 H23 N7 O5 c1nc(c2c(n....
15 4PYO ic50 ~ 30 uM SAH C14 H20 N6 O5 S c1nc(c2c(n....
16 3NW9 ic50 = 6 nM 637 C26 H24 F N5 O6 Cc1c2c(ncn....
17 3OE4 Ki = 34 nM 610 C19 H18 N6 O8 c1c(cc(c(c....
18 3NWB ic50 = 11 nM 659 C26 H24 F2 N6 O5 CNc1c2c(nc....
19 3HVH Ki = 3 nM 542 C26 H25 F N6 O6 CNc1c2c(nc....
20 1VID - SAM C15 H22 N6 O5 S C[S@@+](CC....
21 3OE5 ic50 = 596 nM 611 C19 H19 N3 O8 S c1cnccc1S[....
22 3HVI Ki = 5 nM 619 C27 H27 F N6 O6 CCNc1c2c(n....
23 2ZVJ - SAM C15 H22 N6 O5 S C[S@@+](CC....
24 3S68 - SAM C15 H22 N6 O5 S C[S@@+](CC....
25 5FHQ - DNC C6 H4 N2 O6 c1c(cc(c(c....
26 4P7K - SFG C15 H23 N7 O5 c1nc(c2c(n....
27 3HVK Ki = 3 nM 719 C27 H27 F N6 O7 c1cc(ccc1c....
28 1H1D Ki = 6 nM BIA C20 H20 F3 N3 O5 c1cc(cc(c1....
29 3BWY - SAM C15 H22 N6 O5 S C[S@@+](CC....
30 4XUE ic50 = 170 nM 43J C17 H14 N2 O2 CN1C(=NC=C....
31 4XUD ic50 = 200 nM 43H C17 H14 B N O4 B(C1=CN(C=....
32 3BWM - SAM C15 H22 N6 O5 S C[S@@+](CC....
33 4XUC ic50 = 47 nM 43G C17 H13 N O2 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 43H; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 43H 1 1
2 43G 0.523077 0.777778
Ligand no: 2; Ligand: SAM; Similar ligands found: 192
No: Ligand ECFP6 Tc MDL keys Tc
1 SAM 1 1
2 SMM 0.792683 0.96
3 S4M 0.6875 0.909091
4 S7M 0.670455 0.945946
5 M2T 0.636364 0.878378
6 GEK 0.612903 0.931507
7 SAI 0.571429 0.878378
8 XYA 0.565789 0.773333
9 ADN 0.565789 0.773333
10 RAB 0.565789 0.773333
11 5CD 0.564103 0.783784
12 EP4 0.5625 0.826667
13 SA8 0.56044 0.945205
14 SFG 0.555556 0.875
15 5X8 0.555556 0.888889
16 5N5 0.551282 0.773333
17 A4D 0.544304 0.797297
18 EEM 0.542553 0.945946
19 SAH 0.537634 0.916667
20 DTA 0.536585 0.789474
21 62X 0.535354 0.884615
22 MTA 0.53012 0.875
23 3DH 0.517647 0.849315
24 AMP MG 0.511364 0.710843
25 5AL 0.510417 0.743902
26 VMS 0.510204 0.673913
27 54H 0.510204 0.673913
28 0UM 0.51 0.857143
29 A 0.505747 0.707317
30 AMP 0.505747 0.707317
31 ABM 0.505618 0.753086
32 A5A 0.505155 0.688889
33 DAL AMP 0.50505 0.765432
34 NVA LMS 0.504951 0.725275
35 K15 0.5 0.883117
36 6RE 0.5 0.78481
37 5AD 0.5 0.75
38 SSA 0.5 0.684783
39 SON 0.5 0.746988
40 SRP 0.5 0.746988
41 LSS 0.49505 0.706522
42 CA0 0.494624 0.714286
43 A12 0.494505 0.705882
44 AP2 0.494505 0.705882
45 ME8 0.490385 0.841463
46 5CA 0.49 0.684783
47 TSB 0.49 0.681319
48 53H 0.49 0.666667
49 ACP 0.489362 0.694118
50 5AS 0.48913 0.648936
51 ADP 0.48913 0.690476
52 A2D 0.488889 0.690476
53 J7C 0.488889 0.772152
54 ZAS 0.488636 0.769231
55 8QN 0.485149 0.743902
56 GAP 0.484536 0.73494
57 AN2 0.483871 0.682353
58 A3S 0.483871 0.813333
59 A7D 0.483871 0.851351
60 GJV 0.483516 0.775
61 SRA 0.483146 0.694118
62 LAD 0.480769 0.752941
63 KAA 0.480769 0.698925
64 GSU 0.480769 0.722222
65 AMO 0.480392 0.746988
66 DSZ 0.480392 0.703297
67 52H 0.48 0.666667
68 ADP MG 0.478723 0.702381
69 M33 0.478723 0.722892
70 MAO 0.478261 0.82716
71 BA3 0.478261 0.690476
72 AOC 0.477778 0.776316
73 DSH 0.477778 0.842105
74 NEC 0.477778 0.75
75 SXZ 0.47619 0.894737
76 AHX 0.475728 0.701149
77 Y3J 0.47561 0.706667
78 G5A 0.474227 0.684783
79 A3T 0.473684 0.8
80 ADP BEF 0.473684 0.686047
81 BEF ADP 0.473684 0.686047
82 B4P 0.473118 0.690476
83 AP5 0.473118 0.690476
84 A3N 0.472527 0.766234
85 KB1 0.471698 0.833333
86 LEU LMS 0.471154 0.706522
87 APC 0.46875 0.705882
88 PRX 0.46875 0.73494
89 PAJ 0.466019 0.712644
90 4AD 0.466019 0.759036
91 RBY 0.463918 0.72619
92 ADP PO3 0.463918 0.728395
93 ADV 0.463918 0.72619
94 ADX 0.463158 0.666667
95 MHZ 0.463158 0.82716
96 AU1 0.463158 0.674419
97 YAP 0.462963 0.738095
98 TXA 0.462264 0.72619
99 NB8 0.462264 0.72093
100 A3G 0.461538 0.802632
101 VRT 0.459184 0.842105
102 ATP MG 0.459184 0.702381
103 YSA 0.458716 0.684783
104 XAH 0.458716 0.715909
105 50T 0.458333 0.682353
106 ATP 0.458333 0.690476
107 7D7 0.45679 0.723684
108 ANP MG 0.455446 0.678161
109 KH3 0.455357 0.871795
110 ACQ 0.454545 0.694118
111 AQP 0.453608 0.690476
112 5FA 0.453608 0.690476
113 AR6 0.453608 0.710843
114 APR 0.453608 0.710843
115 NSS 0.451923 0.703297
116 FA5 0.449541 0.746988
117 AGS 0.44898 0.678161
118 SAP 0.44898 0.678161
119 A5D 0.44898 0.789474
120 AD9 0.44898 0.674419
121 PTJ 0.448598 0.72093
122 YLB 0.448276 0.758621
123 YLP 0.447368 0.738636
124 D3Y 0.446602 0.792208
125 ADP ALF 0.445545 0.678161
126 ALF ADP 0.445545 0.678161
127 TYR AMP 0.445455 0.746988
128 MYR AMP 0.444444 0.776471
129 3AM 0.444444 0.674699
130 OAD 0.443396 0.73494
131 2VA 0.443299 0.779221
132 OOB 0.442308 0.722892
133 S8M 0.442308 0.831169
134 ADP VO4 0.441176 0.702381
135 VO4 ADP 0.441176 0.702381
136 ANP 0.44 0.674419
137 TAT 0.44 0.686047
138 WAQ 0.439252 0.75
139 ARG AMP 0.438596 0.727273
140 YLC 0.435897 0.755814
141 AAT 0.435644 0.797468
142 3OD 0.435185 0.73494
143 1ZZ 0.435185 0.755814
144 NVA 2AD 0.434343 0.815789
145 DLL 0.433962 0.722892
146 00A 0.433962 0.689655
147 7MD 0.433628 0.715909
148 ATF 0.431373 0.666667
149 SO8 0.43 0.792208
150 3UK 0.429907 0.714286
151 A6D 0.429907 0.72619
152 5SV 0.428571 0.741176
153 AMP DBH 0.428571 0.714286
154 WSA 0.42735 0.692308
155 TYM 0.42735 0.746988
156 9SN 0.427273 0.681818
157 AHZ 0.426087 0.755814
158 A A 0.425926 0.710843
159 3NZ 0.425926 0.807692
160 P5A 0.425926 0.691489
161 PR8 0.425926 0.744186
162 A1R 0.424528 0.709302
163 2A5 0.424242 0.674419
164 7MC 0.423729 0.719101
165 7D5 0.422222 0.658824
166 FYA 0.422018 0.722892
167 JB6 0.422018 0.709302
168 AYB 0.421488 0.75
169 PLP AAD 0.419355 0.764045
170 A22 0.419048 0.682353
171 MAP 0.419048 0.659091
172 2AM 0.417582 0.666667
173 TAD 0.417391 0.712644
174 A3P 0.416667 0.686747
175 ADP BMA 0.416667 0.714286
176 25A 0.415094 0.690476
177 YLA 0.413223 0.719101
178 ADQ 0.411215 0.694118
179 48N 0.410256 0.72093
180 0XU 0.41 0.824324
181 NAD IBO 0.406504 0.717647
182 7D3 0.40625 0.643678
183 PAP 0.405941 0.678571
184 OVE 0.404255 0.662791
185 4UV 0.403509 0.697674
186 ALF ADP 3PG 0.403361 0.712644
187 AF3 ADP 3PG 0.403361 0.712644
188 LA8 ALF 3PG 0.403361 0.712644
189 3AD 0.402299 0.783784
190 CMP 0.402062 0.691358
191 2BA 0.402062 0.682927
192 7C5 0.4 0.731707
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4XUC; Ligand: SAM; Similar sites found: 397
This union binding pocket(no: 1) in the query (biounit: 4xuc.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC NBU 0.03442 0.41165 None
2 2BOS GLA GAL GLC 0.03519 0.41117 None
3 3LRE ADP 0.03551 0.40723 None
4 2Q46 NAP 0.003543 0.40699 None
5 3FUU ADN 0.00002199 0.52993 1.37615
6 5MGZ SAH 0.0005672 0.46647 1.37615
7 1PL6 NAD 0.00224 0.43607 1.37615
8 2GLX NDP 0.003213 0.41969 1.37615
9 4CLO NAP 0.002089 0.41868 1.37615
10 3JQB NAP 0.002324 0.41684 1.37615
11 4CMI NAP 0.002072 0.41607 1.37615
12 5JDI NAP 0.002174 0.41526 1.37615
13 3BMO NAP 0.002247 0.4147 1.37615
14 4CME NAP 0.002352 0.41392 1.37615
15 4CM8 NAP 0.00238 0.41373 1.37615
16 3BMQ NAP 0.002063 0.4135 1.37615
17 4CLR NAP 0.002441 0.4133 1.37615
18 4CM4 NAP 0.002512 0.41281 1.37615
19 5JCJ NAP 0.002651 0.4119 1.37615
20 3BMN NAP 0.002286 0.41178 1.37615
21 4CM9 NAP 0.002578 0.40978 1.37615
22 3JQ8 NAP 0.002651 0.40931 1.37615
23 1IY8 NAD 0.003235 0.40354 1.37615
24 1Z3C SA8 0.0001008 0.46374 1.83486
25 4N49 SAM 0.0002853 0.47555 2.29358
26 3V1Y NAD 0.0005669 0.44435 2.29358
27 1JQ3 AAT 0.0003516 0.43411 2.29358
28 1P31 EPU 0.006517 0.42206 2.29358
29 4J36 1HR 0.001358 0.42032 2.29358
30 1ZH8 NAP 0.002298 0.41703 2.29358
31 4K28 NAD 0.003579 0.41485 2.29358
32 3CGD FAD 0.007627 0.41306 2.29358
33 3CGD COA 0.007627 0.41306 2.29358
34 3CGD NAD 0.007627 0.41306 2.29358
35 4RQU NAD 0.002489 0.41297 2.29358
36 4J36 FAD 0.0009778 0.41241 2.29358
37 4CQM NAP 0.003083 0.4068 2.29358
38 2B4Q NAP 0.003479 0.40478 2.29358
39 4ITU NAI 0.00258 0.40246 2.29358
40 4PIV NDP 0.005929 0.4007 2.29358
41 3I53 SAH 0.0008499 0.45464 2.71084
42 2EG5 SAH 0.0000979 0.52216 2.75229
43 5ULP KB1 0.00005312 0.49405 2.75229
44 4RDH AMP 0.0005029 0.48243 2.75229
45 3QOX SAH 0.000002026 0.46964 2.75229
46 4RDI ATP 0.0007477 0.46524 2.75229
47 5LD5 NAD 0.000502 0.45699 2.75229
48 4D79 ATP 0.001215 0.45557 2.75229
49 3SSO SAH 0.00001266 0.45389 2.75229
50 5MW4 5JU 0.0001138 0.42522 2.75229
51 5ITV NAI 0.001198 0.41983 2.75229
52 2RGJ FAD 0.0009277 0.41871 2.75229
53 4NZ6 DGL 0.03415 0.4127 2.75229
54 5XVQ SAH 0.005768 0.4119 2.75229
55 1ELI PYC 0.001743 0.41103 2.75229
56 3GFB NAD 0.005597 0.40169 2.75229
57 3D3W NAP 0.002733 0.40155 2.75229
58 2PXX SAH 0.0002195 0.48501 2.7907
59 1L7N ALF 0.04152 0.40307 2.8436
60 5HJM MTA 0.00001904 0.53275 3.21101
61 2VDV SAM 0.0001968 0.50734 3.21101
62 3LKZ SFG 0.0001372 0.49418 3.21101
63 1ZMD NAI 0.0002772 0.46042 3.21101
64 4R6W SAH 0.0001839 0.44741 3.21101
65 1X14 NAD 0.002892 0.44209 3.21101
66 3ABI NAD 0.0003968 0.44094 3.21101
67 3OU2 SAH 0.001151 0.43507 3.21101
68 1OBB NAD 0.001845 0.42976 3.21101
69 2JHP SAH 0.01108 0.4147 3.21101
70 1OMO NAD 0.004637 0.41303 3.21101
71 4D42 W0I 0.004573 0.4059 3.21101
72 4D42 NAP 0.004573 0.4059 3.21101
73 1GZ6 NAI 0.003144 0.40402 3.21101
74 3JWH SAH 0.0000103 0.41488 3.22581
75 3O7W SAM 0.0001267 0.51668 3.66972
76 3TLJ SAH 0.00005589 0.4975 3.66972
77 1KYQ NAD 0.0002215 0.49434 3.66972
78 3GCZ SAM 0.0001791 0.4937 3.66972
79 2P41 SAH 0.0001796 0.49365 3.66972
80 3EVG SAH 0.0003489 0.48042 3.66972
81 4PNE SAH 0.0001732 0.47663 3.66972
82 3P2E SAH 0.0005428 0.46323 3.66972
83 4M73 SAH 0.00004216 0.45517 3.66972
84 1CER NAD 0.0006256 0.44262 3.66972
85 4M73 M72 0.0001059 0.43732 3.66972
86 3OA2 NAD 0.0006255 0.43635 3.66972
87 1QO8 FAD 0.0006477 0.43126 3.66972
88 5DM1 SAH 0.0001629 0.42656 3.66972
89 1J0X NAD 0.001064 0.42427 3.66972
90 5DM1 5D7 0.0001762 0.42164 3.66972
91 3U31 NAD 0.004651 0.41891 3.66972
92 3KLJ FAD 0.000947 0.41838 3.66972
93 2YYY NAP 0.002165 0.41533 3.66972
94 5CUQ NSC 0.0008665 0.41142 3.66972
95 4TM3 FAD 0.007404 0.40901 3.66972
96 1K3T BRZ 0.001752 0.40861 3.66972
97 5X20 NAD 0.005737 0.40643 3.66972
98 2VT3 ATP 0.0005922 0.4892 3.72093
99 2DT5 NAD 0.001792 0.41853 3.79147
100 3CM2 X23 0.01167 0.43921 3.84615
101 3LU1 NAD 0.003861 0.40064 3.84615
102 5XVK SAH 0.003633 0.42045 3.87324
103 4M38 SAH 0.000001479 0.57632 4.12844
104 4KRG SAH 0.000006552 0.56589 4.12844
105 2ZIF SAM 0.00002965 0.5241 4.12844
106 4KRI SAH 0.00003487 0.51581 4.12844
107 5BW4 SAM 0.0001029 0.50993 4.12844
108 3M6W SAM 0.0002634 0.49585 4.12844
109 3ICT ADP 0.001497 0.46908 4.12844
110 3ICS ADP 0.001649 0.46698 4.12844
111 2HK9 ATR 0.002263 0.46497 4.12844
112 2PX8 SAH 0.0007818 0.46435 4.12844
113 2UYQ SAM 0.003689 0.46251 4.12844
114 1Q0S SAH 0.00001477 0.44338 4.12844
115 3MQ2 SAH 0.002944 0.44173 4.12844
116 4MIG G3F 0.0005171 0.44099 4.12844
117 5FTW SAH 0.00185 0.43974 4.12844
118 1GET NAP 0.00235 0.4288 4.12844
119 1GET FAD 0.002382 0.42725 4.12844
120 4JK3 NAD 0.001945 0.42276 4.12844
121 1BXK NAD 0.001959 0.41703 4.12844
122 2CDU FAD 0.001067 0.41646 4.12844
123 1C1X NAD 0.003203 0.41402 4.12844
124 1BW9 NAD 0.006268 0.41328 4.12844
125 4BV6 FAD 0.001976 0.41223 4.12844
126 5JE8 NAD 0.004264 0.41173 4.12844
127 3A23 GAL 0.03928 0.40867 4.12844
128 3NJ4 AFX 0.0214 0.40758 4.12844
129 3NJ4 NAD 0.02481 0.40483 4.12844
130 2VB6 ADP BEF 0.01038 0.40376 4.12844
131 3ICR FAD 0.00103 0.40234 4.12844
132 1E3W NAD 0.004335 0.40112 4.12844
133 4J4H NAI 0.005411 0.40059 4.12844
134 4J4H 1J1 0.005411 0.40059 4.12844
135 3OFK SAH 0.0001545 0.48293 4.16667
136 1LSS NAD 0.000002951 0.5631 4.28571
137 4DMG SAM 0.00002119 0.56144 4.58716
138 2EJU SAH 0.00001345 0.54526 4.58716
139 5KOK SAH 0.00005421 0.51232 4.58716
140 5JE0 AZ8 0.000005284 0.50866 4.58716
141 5JE0 SAH 0.000005284 0.50866 4.58716
142 1NV8 SAM 0.00001828 0.49612 4.58716
143 1NV8 MEQ 0.0000243 0.49532 4.58716
144 2AOT SAH 0.000329 0.49123 4.58716
145 4X7Y SAH 0.0000201 0.44437 4.58716
146 1JQD SAH 0.0004465 0.43898 4.58716
147 5KOK S9T 0.0002949 0.43408 4.58716
148 3X0D SAH 0.00001029 0.42999 4.58716
149 1JQD HSM 0.001345 0.42922 4.58716
150 3L4S NAD 0.0008141 0.42343 4.58716
151 3L4S 3PG 0.0008112 0.42084 4.58716
152 1MUU NAD 0.004205 0.40925 4.58716
153 1MV8 NAD 0.005076 0.40595 4.58716
154 2Q1W NAD 0.002448 0.4033 4.58716
155 5KJW 53C 0.04535 0.40296 4.58716
156 1F8G NAD 0.01099 0.40269 4.58716
157 4E70 N7I 0.004056 0.40223 4.58716
158 5N53 8NB 0.0211 0.42535 4.61538
159 1E6E FAD 0.001542 0.41066 4.6875
160 4BLW SAH 0.00008404 0.47775 4.84429
161 4BLW AMP 0.0001002 0.45095 4.84429
162 1SQF SAM 0.00005272 0.51806 5.04587
163 5JJR SAH 0.0002579 0.48644 5.04587
164 5GWX SAR 0.0001304 0.47007 5.04587
165 5GWX SAM 0.0001304 0.47007 5.04587
166 3S5W FAD 0.0002193 0.44765 5.04587
167 2B4R AES 0.0006811 0.43195 5.04587
168 3OJO NAD 0.002474 0.42755 5.04587
169 2B4R NAD 0.0007948 0.42655 5.04587
170 1I36 NAP 0.00652 0.41254 5.04587
171 5AHO TLA 0.0293 0.40673 5.04587
172 5I39 FAD 0.0008092 0.40242 5.04587
173 2PT9 2MH 0.0007175 0.42018 5.29595
174 2PT9 S4M 0.0003027 0.4057 5.29595
175 1QAN SAH 0.0000008653 0.58037 5.50459
176 3VYW SAM 0.000008517 0.5428 5.50459
177 4DCM SAM 0.0001176 0.5126 5.50459
178 3L9W GSH 0.00006721 0.47409 5.50459
179 4UCI SAM 0.0005466 0.46719 5.50459
180 3L9W AMP 0.00007059 0.46621 5.50459
181 1P77 ATR 0.004286 0.46075 5.50459
182 1L1E SAH 0.0009168 0.45319 5.50459
183 4II2 ATP 0.001419 0.44482 5.50459
184 2G5C NAD 0.0005038 0.43697 5.50459
185 1ZEM NAD 0.001284 0.43003 5.50459
186 4EUE NAI 0.0006222 0.42776 5.50459
187 4HXY NDP 0.001161 0.42035 5.50459
188 2DC1 NAD 0.00572 0.40131 5.50459
189 3EWP APR 0.009218 0.40054 5.64972
190 4IWN GEK 0.00001153 0.52661 5.9633
191 3S1S SAH 0.0001524 0.47899 5.9633
192 1I1N SAH 0.0001155 0.4685 5.9633
193 4D7E FAD 0.0003932 0.42078 5.9633
194 2F1K NAP 0.00229 0.4199 5.9633
195 3LCV SAM 0.007185 0.40783 5.9633
196 2PZM UDP 0.003326 0.4058 5.9633
197 2PZM NAD 0.003326 0.4058 5.9633
198 5TUK FAD 0.003513 0.40462 5.9633
199 3LXD FAD 0.00206 0.40005 5.9633
200 2I7C AAT 0.001023 0.41464 6.00707
201 3A25 SAM 0.00001235 0.54696 6.42202
202 2JJQ SAH 0.0000427 0.53976 6.42202
203 5X62 SAH 0.00005843 0.52142 6.42202
204 4NEC SAH 0.0001798 0.50378 6.42202
205 4OBW SAM 0.0003796 0.47874 6.42202
206 1TPY SAH 0.001242 0.44375 6.42202
207 2VYN NAD 0.0006815 0.4349 6.42202
208 2XVE FAD 0.002007 0.42667 6.42202
209 4C3Y FAD 0.001727 0.4144 6.42202
210 1DJN ADP 0.005474 0.41287 6.42202
211 2Y6Q FAD 0.001603 0.4125 6.42202
212 4C3Y ANB 0.002864 0.41102 6.42202
213 2OG2 MLI 0.02731 0.41012 6.42202
214 1VI2 NAD 0.008625 0.40726 6.42202
215 2XVF FAD 0.0009624 0.40348 6.42202
216 2E5V FAD 0.004217 0.40195 6.42202
217 5FA8 SAM 0.000005287 0.541 6.8323
218 1V59 NAD 0.00002186 0.56077 6.88073
219 3VSE SAH 0.00002227 0.56036 6.88073
220 2DPM SAM 0.00004438 0.50637 6.88073
221 1IM8 SAI 0.00006134 0.50499 6.88073
222 1G60 SAM 0.0003513 0.47583 6.88073
223 1U2Z SAH 0.000003054 0.46446 6.88073
224 5JGL SAM 0.001563 0.4546 6.88073
225 3C6K MTA 0.0002368 0.44021 6.88073
226 3C6K SPD 0.0002368 0.44021 6.88073
227 4TXI FAD 0.0004471 0.43309 6.88073
228 5FJN BE2 0.0008194 0.43053 6.88073
229 5FJN FAD 0.0006776 0.43053 6.88073
230 2BRY FAD 0.0007124 0.4229 6.88073
231 5F7J ADE 0.02804 0.41857 6.88073
232 3CIF NAD 0.0003677 0.41571 6.88073
233 3AD8 NAD 0.001552 0.40812 6.88073
234 1FEC FAD 0.003556 0.40748 6.88073
235 1JWY ADP 0.02674 0.40627 6.88073
236 3WMX NAD 0.003851 0.40557 6.88073
237 3CIF G3H 0.001999 0.40539 6.88073
238 5A3B APR 0.00626 0.40227 6.88073
239 5LW0 AR6 0.008492 0.40203 6.88073
240 3FZG SAM 0.003761 0.44063 7
241 1JNR FAD 0.01428 0.40044 7.33333
242 3GRU AMP 0.0000004328 0.58718 7.33945
243 5THY SAH 0.00005821 0.506 7.33945
244 5L95 AMP 0.0002464 0.48275 7.33945
245 3WV8 ATP 0.0003106 0.47823 7.33945
246 1VE3 SAM 0.0004795 0.47409 7.33945
247 5FJJ MAN 0.008654 0.47363 7.33945
248 3H8V ATP 0.000598 0.46969 7.33945
249 3VC1 SAH 0.0005505 0.45529 7.33945
250 2ZWA SAH 0.0007229 0.45393 7.33945
251 5THZ SAH 0.00007631 0.42093 7.33945
252 4PIO AVI 0.001432 0.41182 7.33945
253 4PIO SAH 0.001588 0.40776 7.33945
254 5WGR FAD 0.0004127 0.40653 7.33945
255 3VC1 GST 0.0007372 0.40399 7.33945
256 1UY4 XYP XYP XYP XYP 0.01875 0.42193 7.58621
257 3A4T SFG 0.000007117 0.54077 7.79817
258 3DXY SAM 0.00006765 0.53626 7.79817
259 5D4V SAH 0.002776 0.42862 7.79817
260 1XHC FAD 0.0009208 0.40822 7.79817
261 4L6T GAL NGA GAL BGC SIA 0.04533 0.40148 7.79817
262 1KK8 BEF ADP 0.01006 0.41668 7.91367
263 3DMH SAM 0.000007173 0.54609 8.25688
264 3DMH GMP 0.00001345 0.5055 8.25688
265 3BGD SAH 0.0004737 0.45807 8.25688
266 3BGD PM6 0.0009245 0.43271 8.25688
267 2WPF FAD 0.004865 0.42759 8.25688
268 1WDK NAD 0.002532 0.42712 8.25688
269 2WPF WPF 0.005728 0.42603 8.25688
270 3JQA NAP 0.00229 0.41709 8.25688
271 3JQ7 NAP 0.00237 0.4165 8.25688
272 3JQG NAP 0.00244 0.416 8.25688
273 3JQF NAP 0.001974 0.41423 8.25688
274 5JDC NAP 0.002518 0.41277 8.25688
275 4CNK FAD 0.001724 0.4112 8.25688
276 1VQW FAD 0.001926 0.4071 8.25688
277 3JQA DX4 0.03529 0.40583 8.25688
278 4XZ3 COA 0.009086 0.40348 8.25688
279 2GV8 FAD 0.002236 0.40241 8.25688
280 2GVC FAD 0.001916 0.40174 8.25688
281 1O94 ADP 0.002728 0.42266 8.33333
282 3H2B SAH 0.00002611 0.52658 8.37438
283 2XVM SAH 0.000282 0.49971 8.54271
284 1G55 SAH 0.00001083 0.54376 8.7156
285 3IHG FAD 0.0002772 0.45012 8.7156
286 4YJK URA 0.01842 0.431 8.7156
287 1GY8 NAD 0.0009429 0.42376 8.7156
288 1WG8 SAM 0.00009693 0.41769 8.7156
289 5KVS NAP 0.008396 0.40224 8.7156
290 1EJ0 SAM 0.000005815 0.56196 8.88889
291 4ONQ SFG 0.00004195 0.52261 9.17431
292 1KPH SAH 0.001245 0.4437 9.17431
293 5BUK FAD 0.0005262 0.43673 9.17431
294 2YVJ NAI 0.003703 0.43335 9.17431
295 1FGX U5P 0.02181 0.41122 9.17431
296 3QVP FAD 0.002546 0.41014 9.17431
297 1H5Q NAP 0.005093 0.40083 9.17431
298 2YX1 SFG 0.00001235 0.56607 9.63303
299 5F8F SFG 0.0009556 0.4691 9.63303
300 2D2I NAP 0.001358 0.43862 9.63303
301 3B20 NAD 0.004174 0.41494 9.63303
302 3UCL NAP 0.006353 0.41165 9.63303
303 3UCL FAD 0.00663 0.40904 9.63303
304 3UCL CYH 0.00663 0.40904 9.63303
305 3GMB FAD 0.001809 0.40573 9.63303
306 5JAQ NAI 0.0005822 0.40417 9.63303
307 2HJR APR 0.009817 0.40205 9.63303
308 2XYQ SAH 0.00002267 0.53486 9.83607
309 4FZV SAM 0.00003356 0.51654 10.0917
310 1N2X SAM 0.0006131 0.4533 10.0917
311 5MX4 HPA 0.009704 0.44322 10.0917
312 1NVM NAD 0.001936 0.41196 10.0917
313 2NXE SAM 0.00000387 0.57007 10.5505
314 3EGV SAH 0.00002442 0.53915 10.5505
315 3FPF TNA 0.00002311 0.45112 10.5505
316 3FPF MTA 0.00002311 0.45112 10.5505
317 5K7U SAM 0.002547 0.44081 10.5505
318 5IL1 SAM 0.001627 0.44974 10.8491
319 2F5Z FAD 0.0006512 0.43223 10.9375
320 3QV1 NAD 0.0009341 0.43879 10.9756
321 4FN4 NAD 0.001636 0.41736 11.0092
322 5VN0 NAI 0.006582 0.40139 11.0092
323 3GDN HBX 0.006777 0.40096 11.0092
324 3GDN FAD 0.004483 0.40096 11.0092
325 5E8J SAH 0.0000611 0.53215 11.3636
326 1X87 NAD 0.00004096 0.50323 11.4679
327 1N4W FAD 0.001509 0.41862 11.4679
328 1GEG NAD 0.004421 0.40079 11.4679
329 5GM1 SAH 0.0001041 0.48602 11.9266
330 3ZFD ANP 0.008975 0.42623 11.9266
331 1L3I SAH 0.00001723 0.50989 11.9792
332 1BHX ASP PHE GLU GLU ILE 0.0351 0.40373 12.381
333 3GDH SAH 0.000001025 0.56559 12.3853
334 1R18 SAH 0.00001179 0.53128 12.3853
335 1F3L SAH 0.0000007384 0.58335 12.844
336 1XCL SAH 0.0000004632 0.54386 12.844
337 1Y8Q ATP 0.0001356 0.47707 12.844
338 5E72 SAM 0.000007308 0.45155 12.844
339 1D1T NAD 0.003244 0.40595 12.844
340 3EGI ADP 0.00002576 0.58007 13.1068
341 1XDS SAM 0.002198 0.45614 13.3028
342 1KPG SAH 0.001063 0.44667 13.3028
343 1QZZ SAM 0.01064 0.4226 13.3028
344 4QTU SAM 0.00001239 0.54114 13.3333
345 3NTD FAD 0.001511 0.41329 13.7615
346 2FKA BEF 0.01394 0.41073 13.9535
347 1P1C SAH 0.0000008607 0.5745 14.0704
348 5MPT SAH 0.00002632 0.53189 14.2202
349 5TVF CGQ 0.01747 0.42349 14.2202
350 3CMC NAD 0.00737 0.40786 14.2202
351 4C4A SAH 0.000002085 0.57592 14.6789
352 2PWY SAH 0.006365 0.40042 15.5963
353 3A27 SAM 0.000008321 0.55483 16.055
354 4Y2H SAH 0.00001458 0.48847 16.055
355 4Y2H 49K 0.00001983 0.48357 16.055
356 3GWZ SAH 0.009381 0.42529 16.5138
357 3GXO SAH 0.01229 0.41597 16.5138
358 4XFR CIT 0.04975 0.40588 16.5138
359 4AZT SAM 0.00004202 0.52258 16.9725
360 2O07 MTA 0.0004607 0.44469 16.9725
361 2O07 SPD 0.0007387 0.4306 16.9725
362 4AZW SAM 0.00002333 0.42317 16.9725
363 1DL5 SAH 0.000001661 0.54642 17.4312
364 1JG3 ADN 0.00001471 0.54348 17.4312
365 2FK8 SAM 0.0004957 0.46497 17.4312
366 3G89 SAM 0.000008151 0.57488 17.8899
367 1E5Q NDP 0.0008932 0.43032 17.8899
368 3PT9 SAH 0.000005122 0.56449 18.3486
369 5DXA SFG 0.000002627 0.55391 18.8073
370 5DX8 SFG 0.00000316 0.5505 18.8073
371 3T7S SAM 0.00002811 0.53058 18.8073
372 5DX1 SFG 0.000005842 0.52914 18.8073
373 5DWQ SFG 0.00000445 0.45977 18.8073
374 5DX0 SFG 0.000005979 0.4597 18.8073
375 3G2O SAM 0.00003894 0.52409 19.2661
376 1WY7 SAH 0.00003764 0.50947 19.3237
377 1I9G SAM 0.0000007785 0.46556 20.1835
378 3Q87 SAM 0.00003612 0.50555 21.1765
379 1KYZ SAH 0.0008425 0.46718 21.5596
380 3GU3 SAH 0.00002753 0.56287 23.3945
381 5E1M PRO PRO LYS ARG ILE ALA 0.0001502 0.44462 23.3945
382 5E1M SAH 0.0001502 0.44462 23.3945
383 4KIB SAH 0.000006102 0.42947 24.3119
384 3NUG NAD 0.002818 0.40581 24.7706
385 1ZQ9 SAM 0.0000003171 0.61989 25.2294
386 4LWP SAH 0.000004536 0.56691 25.6881
387 5FA5 MTA 0.0001126 0.51348 27.9817
388 4X60 SFG 0.0001184 0.42668 27.9817
389 4X60 3XV 0.0001202 0.42271 27.9817
390 5N5D SAM 0.00000000000812 0.59479 30.0885
391 5LOG SAH 0.0000000003499 0.74564 30.2752
392 5LOG LDP 0.0002832 0.50324 30.2752
393 5KVA SAM 0.000000004405 0.6796 31.6514
394 4YMH SAH 0.0000000001963 0.74728 32.5688
395 3DUW SAH 0.00000000001324 0.58837 33.4862
396 2HNK SAH 0.0000000004133 0.73303 34.728
397 3C3Y SAH 0.000000008364 0.5147 36.2385
Pocket No.: 2; Query (leader) PDB : 4XUC; Ligand: 43G; Similar sites found: 397
This union binding pocket(no: 2) in the query (biounit: 4xuc.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BOS GLA GAL GLC NBU 0.03442 0.41165 None
2 2BOS GLA GAL GLC 0.03519 0.41117 None
3 3LRE ADP 0.03551 0.40723 None
4 2Q46 NAP 0.003543 0.40699 None
5 3FUU ADN 0.00002199 0.52993 1.37615
6 5MGZ SAH 0.0005672 0.46647 1.37615
7 1PL6 NAD 0.00224 0.43607 1.37615
8 2GLX NDP 0.003213 0.41969 1.37615
9 4CLO NAP 0.002089 0.41868 1.37615
10 3JQB NAP 0.002324 0.41684 1.37615
11 4CMI NAP 0.002072 0.41607 1.37615
12 5JDI NAP 0.002174 0.41526 1.37615
13 3BMO NAP 0.002247 0.4147 1.37615
14 4CME NAP 0.002352 0.41392 1.37615
15 4CM8 NAP 0.00238 0.41373 1.37615
16 3BMQ NAP 0.002063 0.4135 1.37615
17 4CLR NAP 0.002441 0.4133 1.37615
18 4CM4 NAP 0.002512 0.41281 1.37615
19 5JCJ NAP 0.002651 0.4119 1.37615
20 3BMN NAP 0.002286 0.41178 1.37615
21 4CM9 NAP 0.002578 0.40978 1.37615
22 3JQ8 NAP 0.002651 0.40931 1.37615
23 1IY8 NAD 0.003235 0.40354 1.37615
24 1Z3C SA8 0.0001008 0.46374 1.83486
25 4N49 SAM 0.0002853 0.47555 2.29358
26 3V1Y NAD 0.0005669 0.44435 2.29358
27 1JQ3 AAT 0.0003516 0.43411 2.29358
28 1P31 EPU 0.006517 0.42206 2.29358
29 4J36 1HR 0.001358 0.42032 2.29358
30 1ZH8 NAP 0.002298 0.41703 2.29358
31 4K28 NAD 0.003579 0.41485 2.29358
32 3CGD FAD 0.007627 0.41306 2.29358
33 3CGD COA 0.007627 0.41306 2.29358
34 3CGD NAD 0.007627 0.41306 2.29358
35 4RQU NAD 0.002489 0.41297 2.29358
36 4J36 FAD 0.0009778 0.41241 2.29358
37 4CQM NAP 0.003083 0.4068 2.29358
38 2B4Q NAP 0.003479 0.40478 2.29358
39 4ITU NAI 0.00258 0.40246 2.29358
40 4PIV NDP 0.005929 0.4007 2.29358
41 3I53 SAH 0.0008499 0.45464 2.71084
42 2EG5 SAH 0.0000979 0.52216 2.75229
43 5ULP KB1 0.00005312 0.49405 2.75229
44 4RDH AMP 0.0005029 0.48243 2.75229
45 3QOX SAH 0.000002026 0.46964 2.75229
46 4RDI ATP 0.0007477 0.46524 2.75229
47 5LD5 NAD 0.000502 0.45699 2.75229
48 4D79 ATP 0.001215 0.45557 2.75229
49 3SSO SAH 0.00001266 0.45389 2.75229
50 5MW4 5JU 0.0001138 0.42522 2.75229
51 5ITV NAI 0.001198 0.41983 2.75229
52 2RGJ FAD 0.0009277 0.41871 2.75229
53 4NZ6 DGL 0.03415 0.4127 2.75229
54 5XVQ SAH 0.005768 0.4119 2.75229
55 1ELI PYC 0.001743 0.41103 2.75229
56 3GFB NAD 0.005597 0.40169 2.75229
57 3D3W NAP 0.002733 0.40155 2.75229
58 2PXX SAH 0.0002195 0.48501 2.7907
59 1L7N ALF 0.04152 0.40307 2.8436
60 5HJM MTA 0.00001904 0.53275 3.21101
61 2VDV SAM 0.0001968 0.50734 3.21101
62 3LKZ SFG 0.0001372 0.49418 3.21101
63 1ZMD NAI 0.0002772 0.46042 3.21101
64 4R6W SAH 0.0001839 0.44741 3.21101
65 1X14 NAD 0.002892 0.44209 3.21101
66 3ABI NAD 0.0003968 0.44094 3.21101
67 3OU2 SAH 0.001151 0.43507 3.21101
68 1OBB NAD 0.001845 0.42976 3.21101
69 2JHP SAH 0.01108 0.4147 3.21101
70 1OMO NAD 0.004637 0.41303 3.21101
71 4D42 W0I 0.004573 0.4059 3.21101
72 4D42 NAP 0.004573 0.4059 3.21101
73 1GZ6 NAI 0.003144 0.40402 3.21101
74 3JWH SAH 0.0000103 0.41488 3.22581
75 3O7W SAM 0.0001267 0.51668 3.66972
76 3TLJ SAH 0.00005589 0.4975 3.66972
77 1KYQ NAD 0.0002215 0.49434 3.66972
78 3GCZ SAM 0.0001791 0.4937 3.66972
79 2P41 SAH 0.0001796 0.49365 3.66972
80 3EVG SAH 0.0003489 0.48042 3.66972
81 4PNE SAH 0.0001732 0.47663 3.66972
82 3P2E SAH 0.0005428 0.46323 3.66972
83 4M73 SAH 0.00004216 0.45517 3.66972
84 1CER NAD 0.0006256 0.44262 3.66972
85 4M73 M72 0.0001059 0.43732 3.66972
86 3OA2 NAD 0.0006255 0.43635 3.66972
87 1QO8 FAD 0.0006477 0.43126 3.66972
88 5DM1 SAH 0.0001629 0.42656 3.66972
89 1J0X NAD 0.001064 0.42427 3.66972
90 5DM1 5D7 0.0001762 0.42164 3.66972
91 3U31 NAD 0.004651 0.41891 3.66972
92 3KLJ FAD 0.000947 0.41838 3.66972
93 2YYY NAP 0.002165 0.41533 3.66972
94 5CUQ NSC 0.0008665 0.41142 3.66972
95 4TM3 FAD 0.007404 0.40901 3.66972
96 1K3T BRZ 0.001752 0.40861 3.66972
97 5X20 NAD 0.005737 0.40643 3.66972
98 2VT3 ATP 0.0005922 0.4892 3.72093
99 2DT5 NAD 0.001792 0.41853 3.79147
100 3CM2 X23 0.01167 0.43921 3.84615
101 3LU1 NAD 0.003861 0.40064 3.84615
102 5XVK SAH 0.003633 0.42045 3.87324
103 4M38 SAH 0.000001479 0.57632 4.12844
104 4KRG SAH 0.000006552 0.56589 4.12844
105 2ZIF SAM 0.00002965 0.5241 4.12844
106 4KRI SAH 0.00003487 0.51581 4.12844
107 5BW4 SAM 0.0001029 0.50993 4.12844
108 3M6W SAM 0.0002634 0.49585 4.12844
109 3ICT ADP 0.001497 0.46908 4.12844
110 3ICS ADP 0.001649 0.46698 4.12844
111 2HK9 ATR 0.002263 0.46497 4.12844
112 2PX8 SAH 0.0007818 0.46435 4.12844
113 2UYQ SAM 0.003689 0.46251 4.12844
114 1Q0S SAH 0.00001477 0.44338 4.12844
115 3MQ2 SAH 0.002944 0.44173 4.12844
116 4MIG G3F 0.0005171 0.44099 4.12844
117 5FTW SAH 0.00185 0.43974 4.12844
118 1GET NAP 0.00235 0.4288 4.12844
119 1GET FAD 0.002382 0.42725 4.12844
120 4JK3 NAD 0.001945 0.42276 4.12844
121 1BXK NAD 0.001959 0.41703 4.12844
122 2CDU FAD 0.001067 0.41646 4.12844
123 1C1X NAD 0.003203 0.41402 4.12844
124 1BW9 NAD 0.006268 0.41328 4.12844
125 4BV6 FAD 0.001976 0.41223 4.12844
126 5JE8 NAD 0.004264 0.41173 4.12844
127 3A23 GAL 0.03928 0.40867 4.12844
128 3NJ4 AFX 0.0214 0.40758 4.12844
129 3NJ4 NAD 0.02481 0.40483 4.12844
130 2VB6 ADP BEF 0.01038 0.40376 4.12844
131 3ICR FAD 0.00103 0.40234 4.12844
132 1E3W NAD 0.004335 0.40112 4.12844
133 4J4H NAI 0.005411 0.40059 4.12844
134 4J4H 1J1 0.005411 0.40059 4.12844
135 3OFK SAH 0.0001545 0.48293 4.16667
136 1LSS NAD 0.000002951 0.5631 4.28571
137 4DMG SAM 0.00002119 0.56144 4.58716
138 2EJU SAH 0.00001345 0.54526 4.58716
139 5KOK SAH 0.00005421 0.51232 4.58716
140 5JE0 AZ8 0.000005284 0.50866 4.58716
141 5JE0 SAH 0.000005284 0.50866 4.58716
142 1NV8 SAM 0.00001828 0.49612 4.58716
143 1NV8 MEQ 0.0000243 0.49532 4.58716
144 2AOT SAH 0.000329 0.49123 4.58716
145 4X7Y SAH 0.0000201 0.44437 4.58716
146 1JQD SAH 0.0004465 0.43898 4.58716
147 5KOK S9T 0.0002949 0.43408 4.58716
148 3X0D SAH 0.00001029 0.42999 4.58716
149 1JQD HSM 0.001345 0.42922 4.58716
150 3L4S NAD 0.0008141 0.42343 4.58716
151 3L4S 3PG 0.0008112 0.42084 4.58716
152 1MUU NAD 0.004205 0.40925 4.58716
153 1MV8 NAD 0.005076 0.40595 4.58716
154 2Q1W NAD 0.002448 0.4033 4.58716
155 5KJW 53C 0.04535 0.40296 4.58716
156 1F8G NAD 0.01099 0.40269 4.58716
157 4E70 N7I 0.004056 0.40223 4.58716
158 5N53 8NB 0.0211 0.42535 4.61538
159 1E6E FAD 0.001542 0.41066 4.6875
160 4BLW SAH 0.00008404 0.47775 4.84429
161 4BLW AMP 0.0001002 0.45095 4.84429
162 1SQF SAM 0.00005272 0.51806 5.04587
163 5JJR SAH 0.0002579 0.48644 5.04587
164 5GWX SAR 0.0001304 0.47007 5.04587
165 5GWX SAM 0.0001304 0.47007 5.04587
166 3S5W FAD 0.0002193 0.44765 5.04587
167 2B4R AES 0.0006811 0.43195 5.04587
168 3OJO NAD 0.002474 0.42755 5.04587
169 2B4R NAD 0.0007948 0.42655 5.04587
170 1I36 NAP 0.00652 0.41254 5.04587
171 5AHO TLA 0.0293 0.40673 5.04587
172 5I39 FAD 0.0008092 0.40242 5.04587
173 2PT9 2MH 0.0007175 0.42018 5.29595
174 2PT9 S4M 0.0003027 0.4057 5.29595
175 1QAN SAH 0.0000008653 0.58037 5.50459
176 3VYW SAM 0.000008517 0.5428 5.50459
177 4DCM SAM 0.0001176 0.5126 5.50459
178 3L9W GSH 0.00006721 0.47409 5.50459
179 4UCI SAM 0.0005466 0.46719 5.50459
180 3L9W AMP 0.00007059 0.46621 5.50459
181 1P77 ATR 0.004286 0.46075 5.50459
182 1L1E SAH 0.0009168 0.45319 5.50459
183 4II2 ATP 0.001419 0.44482 5.50459
184 2G5C NAD 0.0005038 0.43697 5.50459
185 1ZEM NAD 0.001284 0.43003 5.50459
186 4EUE NAI 0.0006222 0.42776 5.50459
187 4HXY NDP 0.001161 0.42035 5.50459
188 2DC1 NAD 0.00572 0.40131 5.50459
189 3EWP APR 0.009218 0.40054 5.64972
190 4IWN GEK 0.00001153 0.52661 5.9633
191 3S1S SAH 0.0001524 0.47899 5.9633
192 1I1N SAH 0.0001155 0.4685 5.9633
193 4D7E FAD 0.0003932 0.42078 5.9633
194 2F1K NAP 0.00229 0.4199 5.9633
195 3LCV SAM 0.007185 0.40783 5.9633
196 2PZM UDP 0.003326 0.4058 5.9633
197 2PZM NAD 0.003326 0.4058 5.9633
198 5TUK FAD 0.003513 0.40462 5.9633
199 3LXD FAD 0.00206 0.40005 5.9633
200 2I7C AAT 0.001023 0.41464 6.00707
201 3A25 SAM 0.00001235 0.54696 6.42202
202 2JJQ SAH 0.0000427 0.53976 6.42202
203 5X62 SAH 0.00005843 0.52142 6.42202
204 4NEC SAH 0.0001798 0.50378 6.42202
205 4OBW SAM 0.0003796 0.47874 6.42202
206 1TPY SAH 0.001242 0.44375 6.42202
207 2VYN NAD 0.0006815 0.4349 6.42202
208 2XVE FAD 0.002007 0.42667 6.42202
209 4C3Y FAD 0.001727 0.4144 6.42202
210 1DJN ADP 0.005474 0.41287 6.42202
211 2Y6Q FAD 0.001603 0.4125 6.42202
212 4C3Y ANB 0.002864 0.41102 6.42202
213 2OG2 MLI 0.02731 0.41012 6.42202
214 1VI2 NAD 0.008625 0.40726 6.42202
215 2XVF FAD 0.0009624 0.40348 6.42202
216 2E5V FAD 0.004217 0.40195 6.42202
217 5FA8 SAM 0.000005287 0.541 6.8323
218 1V59 NAD 0.00002186 0.56077 6.88073
219 3VSE SAH 0.00002227 0.56036 6.88073
220 2DPM SAM 0.00004438 0.50637 6.88073
221 1IM8 SAI 0.00006134 0.50499 6.88073
222 1G60 SAM 0.0003513 0.47583 6.88073
223 1U2Z SAH 0.000003054 0.46446 6.88073
224 5JGL SAM 0.001563 0.4546 6.88073
225 3C6K MTA 0.0002368 0.44021 6.88073
226 3C6K SPD 0.0002368 0.44021 6.88073
227 4TXI FAD 0.0004471 0.43309 6.88073
228 5FJN BE2 0.0008194 0.43053 6.88073
229 5FJN FAD 0.0006776 0.43053 6.88073
230 2BRY FAD 0.0007124 0.4229 6.88073
231 5F7J ADE 0.02804 0.41857 6.88073
232 3CIF NAD 0.0003677 0.41571 6.88073
233 3AD8 NAD 0.001552 0.40812 6.88073
234 1FEC FAD 0.003556 0.40748 6.88073
235 1JWY ADP 0.02674 0.40627 6.88073
236 3WMX NAD 0.003851 0.40557 6.88073
237 3CIF G3H 0.001999 0.40539 6.88073
238 5A3B APR 0.00626 0.40227 6.88073
239 5LW0 AR6 0.008492 0.40203 6.88073
240 3FZG SAM 0.003761 0.44063 7
241 1JNR FAD 0.01428 0.40044 7.33333
242 3GRU AMP 0.0000004328 0.58718 7.33945
243 5THY SAH 0.00005821 0.506 7.33945
244 5L95 AMP 0.0002464 0.48275 7.33945
245 3WV8 ATP 0.0003106 0.47823 7.33945
246 1VE3 SAM 0.0004795 0.47409 7.33945
247 5FJJ MAN 0.008654 0.47363 7.33945
248 3H8V ATP 0.000598 0.46969 7.33945
249 3VC1 SAH 0.0005505 0.45529 7.33945
250 2ZWA SAH 0.0007229 0.45393 7.33945
251 5THZ SAH 0.00007631 0.42093 7.33945
252 4PIO AVI 0.001432 0.41182 7.33945
253 4PIO SAH 0.001588 0.40776 7.33945
254 5WGR FAD 0.0004127 0.40653 7.33945
255 3VC1 GST 0.0007372 0.40399 7.33945
256 1UY4 XYP XYP XYP XYP 0.01875 0.42193 7.58621
257 3A4T SFG 0.000007117 0.54077 7.79817
258 3DXY SAM 0.00006765 0.53626 7.79817
259 5D4V SAH 0.002776 0.42862 7.79817
260 1XHC FAD 0.0009208 0.40822 7.79817
261 4L6T GAL NGA GAL BGC SIA 0.04533 0.40148 7.79817
262 1KK8 BEF ADP 0.01006 0.41668 7.91367
263 3DMH SAM 0.000007173 0.54609 8.25688
264 3DMH GMP 0.00001345 0.5055 8.25688
265 3BGD SAH 0.0004737 0.45807 8.25688
266 3BGD PM6 0.0009245 0.43271 8.25688
267 2WPF FAD 0.004865 0.42759 8.25688
268 1WDK NAD 0.002532 0.42712 8.25688
269 2WPF WPF 0.005728 0.42603 8.25688
270 3JQA NAP 0.00229 0.41709 8.25688
271 3JQ7 NAP 0.00237 0.4165 8.25688
272 3JQG NAP 0.00244 0.416 8.25688
273 3JQF NAP 0.001974 0.41423 8.25688
274 5JDC NAP 0.002518 0.41277 8.25688
275 4CNK FAD 0.001724 0.4112 8.25688
276 1VQW FAD 0.001926 0.4071 8.25688
277 3JQA DX4 0.03529 0.40583 8.25688
278 4XZ3 COA 0.009086 0.40348 8.25688
279 2GV8 FAD 0.002236 0.40241 8.25688
280 2GVC FAD 0.001916 0.40174 8.25688
281 1O94 ADP 0.002728 0.42266 8.33333
282 3H2B SAH 0.00002611 0.52658 8.37438
283 2XVM SAH 0.000282 0.49971 8.54271
284 1G55 SAH 0.00001083 0.54376 8.7156
285 3IHG FAD 0.0002772 0.45012 8.7156
286 4YJK URA 0.01842 0.431 8.7156
287 1GY8 NAD 0.0009429 0.42376 8.7156
288 1WG8 SAM 0.00009693 0.41769 8.7156
289 5KVS NAP 0.008396 0.40224 8.7156
290 1EJ0 SAM 0.000005815 0.56196 8.88889
291 4ONQ SFG 0.00004195 0.52261 9.17431
292 1KPH SAH 0.001245 0.4437 9.17431
293 5BUK FAD 0.0005262 0.43673 9.17431
294 2YVJ NAI 0.003703 0.43335 9.17431
295 1FGX U5P 0.02181 0.41122 9.17431
296 3QVP FAD 0.002546 0.41014 9.17431
297 1H5Q NAP 0.005093 0.40083 9.17431
298 2YX1 SFG 0.00001235 0.56607 9.63303
299 5F8F SFG 0.0009556 0.4691 9.63303
300 2D2I NAP 0.001358 0.43862 9.63303
301 3B20 NAD 0.004174 0.41494 9.63303
302 3UCL NAP 0.006353 0.41165 9.63303
303 3UCL FAD 0.00663 0.40904 9.63303
304 3UCL CYH 0.00663 0.40904 9.63303
305 3GMB FAD 0.001809 0.40573 9.63303
306 5JAQ NAI 0.0005822 0.40417 9.63303
307 2HJR APR 0.009817 0.40205 9.63303
308 2XYQ SAH 0.00002267 0.53486 9.83607
309 4FZV SAM 0.00003356 0.51654 10.0917
310 1N2X SAM 0.0006131 0.4533 10.0917
311 5MX4 HPA 0.009704 0.44322 10.0917
312 1NVM NAD 0.001936 0.41196 10.0917
313 2NXE SAM 0.00000387 0.57007 10.5505
314 3EGV SAH 0.00002442 0.53915 10.5505
315 3FPF TNA 0.00002311 0.45112 10.5505
316 3FPF MTA 0.00002311 0.45112 10.5505
317 5K7U SAM 0.002547 0.44081 10.5505
318 5IL1 SAM 0.001627 0.44974 10.8491
319 2F5Z FAD 0.0006512 0.43223 10.9375
320 3QV1 NAD 0.0009341 0.43879 10.9756
321 4FN4 NAD 0.001636 0.41736 11.0092
322 5VN0 NAI 0.006582 0.40139 11.0092
323 3GDN HBX 0.006777 0.40096 11.0092
324 3GDN FAD 0.004483 0.40096 11.0092
325 5E8J SAH 0.0000611 0.53215 11.3636
326 1X87 NAD 0.00004096 0.50323 11.4679
327 1N4W FAD 0.001509 0.41862 11.4679
328 1GEG NAD 0.004421 0.40079 11.4679
329 5GM1 SAH 0.0001041 0.48602 11.9266
330 3ZFD ANP 0.008975 0.42623 11.9266
331 1L3I SAH 0.00001723 0.50989 11.9792
332 1BHX ASP PHE GLU GLU ILE 0.0351 0.40373 12.381
333 3GDH SAH 0.000001025 0.56559 12.3853
334 1R18 SAH 0.00001179 0.53128 12.3853
335 1F3L SAH 0.0000007384 0.58335 12.844
336 1XCL SAH 0.0000004632 0.54386 12.844
337 1Y8Q ATP 0.0001356 0.47707 12.844
338 5E72 SAM 0.000007308 0.45155 12.844
339 1D1T NAD 0.003244 0.40595 12.844
340 3EGI ADP 0.00002576 0.58007 13.1068
341 1XDS SAM 0.002198 0.45614 13.3028
342 1KPG SAH 0.001063 0.44667 13.3028
343 1QZZ SAM 0.01064 0.4226 13.3028
344 4QTU SAM 0.00001239 0.54114 13.3333
345 3NTD FAD 0.001511 0.41329 13.7615
346 2FKA BEF 0.01394 0.41073 13.9535
347 1P1C SAH 0.0000008607 0.5745 14.0704
348 5MPT SAH 0.00002632 0.53189 14.2202
349 5TVF CGQ 0.01747 0.42349 14.2202
350 3CMC NAD 0.00737 0.40786 14.2202
351 4C4A SAH 0.000002085 0.57592 14.6789
352 2PWY SAH 0.006365 0.40042 15.5963
353 3A27 SAM 0.000008321 0.55483 16.055
354 4Y2H SAH 0.00001458 0.48847 16.055
355 4Y2H 49K 0.00001983 0.48357 16.055
356 3GWZ SAH 0.009381 0.42529 16.5138
357 3GXO SAH 0.01229 0.41597 16.5138
358 4XFR CIT 0.04975 0.40588 16.5138
359 4AZT SAM 0.00004202 0.52258 16.9725
360 2O07 MTA 0.0004607 0.44469 16.9725
361 2O07 SPD 0.0007387 0.4306 16.9725
362 4AZW SAM 0.00002333 0.42317 16.9725
363 1DL5 SAH 0.000001661 0.54642 17.4312
364 1JG3 ADN 0.00001471 0.54348 17.4312
365 2FK8 SAM 0.0004957 0.46497 17.4312
366 3G89 SAM 0.000008151 0.57488 17.8899
367 1E5Q NDP 0.0008932 0.43032 17.8899
368 3PT9 SAH 0.000005122 0.56449 18.3486
369 5DXA SFG 0.000002627 0.55391 18.8073
370 5DX8 SFG 0.00000316 0.5505 18.8073
371 3T7S SAM 0.00002811 0.53058 18.8073
372 5DX1 SFG 0.000005842 0.52914 18.8073
373 5DWQ SFG 0.00000445 0.45977 18.8073
374 5DX0 SFG 0.000005979 0.4597 18.8073
375 3G2O SAM 0.00003894 0.52409 19.2661
376 1WY7 SAH 0.00003764 0.50947 19.3237
377 1I9G SAM 0.0000007785 0.46556 20.1835
378 3Q87 SAM 0.00003612 0.50555 21.1765
379 1KYZ SAH 0.0008425 0.46718 21.5596
380 3GU3 SAH 0.00002753 0.56287 23.3945
381 5E1M PRO PRO LYS ARG ILE ALA 0.0001502 0.44462 23.3945
382 5E1M SAH 0.0001502 0.44462 23.3945
383 4KIB SAH 0.000006102 0.42947 24.3119
384 3NUG NAD 0.002818 0.40581 24.7706
385 1ZQ9 SAM 0.0000003171 0.61989 25.2294
386 4LWP SAH 0.000004536 0.56691 25.6881
387 5FA5 MTA 0.0001126 0.51348 27.9817
388 4X60 SFG 0.0001184 0.42668 27.9817
389 4X60 3XV 0.0001202 0.42271 27.9817
390 5N5D SAM 0.00000000000812 0.59479 30.0885
391 5LOG SAH 0.0000000003499 0.74564 30.2752
392 5LOG LDP 0.0002832 0.50324 30.2752
393 5KVA SAM 0.000000004405 0.6796 31.6514
394 4YMH SAH 0.0000000001963 0.74728 32.5688
395 3DUW SAH 0.00000000001324 0.58837 33.4862
396 2HNK SAH 0.0000000004133 0.73303 34.728
397 3C3Y SAH 0.000000008364 0.5147 36.2385
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