Receptor
PDB id Resolution Class Description Source Keywords
5ULP 1.55 Å EC: 2.-.-.- STRUCTURE OF THE NS5 METHYLTRANSFERASE FROM ZIKA BOUND TO MS ZIKA VIRUS (STRAIN MR 766) ZIKA FLAVIVIRUS NS5 METHYLTRANSFERASE MS2042 SAM ANALOGHYDROLASE
Ref.: DEVELOPMENT OF A S-ADENOSYLMETHIONINE ANALOG THAT I THE RNA-CAP BINDING SITE OF ZIKA METHYLTRANSFERASE. SCI REP V. 7 1632 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
URE B:305;
A:307;
B:307;
A:306;
B:303;
B:306;
B:304;
A:305;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
60.055 C H4 N2 O C(=O)...
CL B:302;
A:303;
A:302;
A:304;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
IPA A:308;
Invalid;
none;
submit data
60.095 C3 H8 O CC(C)...
KB1 B:301;
A:301;
Valid;
Valid;
none;
none;
Kd = 24.3 uM
475.473 C21 H26 F N7 O5 c1cc(...
NA B:308;
A:309;
Invalid;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5ULP 1.55 Å EC: 2.-.-.- STRUCTURE OF THE NS5 METHYLTRANSFERASE FROM ZIKA BOUND TO MS ZIKA VIRUS (STRAIN MR 766) ZIKA FLAVIVIRUS NS5 METHYLTRANSFERASE MS2042 SAM ANALOGHYDROLASE
Ref.: DEVELOPMENT OF A S-ADENOSYLMETHIONINE ANALOG THAT I THE RNA-CAP BINDING SITE OF ZIKA METHYLTRANSFERASE. SCI REP V. 7 1632 2017
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 5M5B - SAM C15 H22 N6 O5 S C[S@@+](CC....
2 5GOZ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
3 5GP1 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 5KQR - SAM C15 H22 N6 O5 S C[S@@+](CC....
5 5ULP Kd = 24.3 uM KB1 C21 H26 F N7 O5 c1cc(ccc1C....
6 5MRK - SFG C15 H23 N7 O5 c1nc(c2c(n....
7 5WXB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
8 5KQS - SAM C15 H22 N6 O5 S C[S@@+](CC....
70% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 211 families.
1 2P3L - G3A C20 H27 N10 O17 P3 c1nc(c2c(n....
2 2P41 - G1G C22 H32 N10 O18 P3 Cn1c[n+](c....
3 1L9K - SAH C14 H20 N6 O5 S c1nc(c2c(n....
4 5M5B - SAM C15 H22 N6 O5 S C[S@@+](CC....
5 5GOZ - GTP C10 H16 N5 O14 P3 c1nc2c(n1[....
6 5GP1 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
7 5KQR - SAM C15 H22 N6 O5 S C[S@@+](CC....
8 5ULP Kd = 24.3 uM KB1 C21 H26 F N7 O5 c1cc(ccc1C....
9 5WXB - SAH C14 H20 N6 O5 S c1nc(c2c(n....
10 5KQS - SAM C15 H22 N6 O5 S C[S@@+](CC....
11 3EVG - SAH C14 H20 N6 O5 S c1nc(c2c(n....
12 2PX8 - MGT C11 H20 N5 O14 P3 CN1CN(C2=C....
13 2PX2 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
14 2PX4 - SAH C14 H20 N6 O5 S c1nc(c2c(n....
15 5EKX - 2CQ C7 H9 Cl N2 Cc1cc(c(cc....
16 4R8S - SFG C15 H23 N7 O5 c1nc(c2c(n....
17 4CTJ - 3A9 C9 H8 O3 c1cc2c(cc1....
18 4CTK - SAM C15 H22 N6 O5 S C[S@@+](CC....
19 5EIW - X0V C7 H7 F3 N2 c1cc(c(cc1....
20 3P8Z - SAH C14 H20 N6 O5 S c1nc(c2c(n....
21 5CUQ ic50 = 7.7 uM NSC C21 H20 N6 O Cc1cc(c2cc....
22 5EIF - 4M0 C8 H9 N O2 Cc1ccc(c(c....
23 5EHI - 5O3 C20 H17 Cl N4 O5 S c1cc(cc(c1....
24 3P97 - SAM C15 H22 N6 O5 S C[S@@+](CC....
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: KB1; Similar ligands found: 137
No: Ligand ECFP6 Tc MDL keys Tc
1 KB1 1 1
2 62X 0.673469 0.825
3 K15 0.666667 0.846154
4 SA8 0.638298 0.88
5 KH3 0.605505 0.835443
6 SFG 0.55102 0.887324
7 SAH 0.534653 0.902778
8 SAI 0.534653 0.890411
9 EEM 0.524272 0.833333
10 EP4 0.522222 0.789474
11 5X8 0.52 0.875
12 S7M 0.514286 0.833333
13 0UM 0.509259 0.844156
14 5CD 0.505618 0.819444
15 A4D 0.488889 0.783784
16 XYA 0.488636 0.783784
17 RAB 0.488636 0.783784
18 ADN 0.488636 0.783784
19 6RE 0.484536 0.794872
20 MAO 0.48 0.771084
21 5N5 0.477778 0.808219
22 SAM 0.471698 0.833333
23 GJV 0.47 0.78481
24 GSU 0.469027 0.692308
25 DTA 0.468085 0.8
26 MHZ 0.466019 0.771084
27 J7C 0.46 0.805195
28 ZAS 0.459184 0.779221
29 SMM 0.458716 0.802469
30 SSA 0.458716 0.655914
31 SON 0.456311 0.756098
32 KAA 0.45614 0.688172
33 3DH 0.453608 0.786667
34 YAP 0.452991 0.768293
35 M2T 0.452632 0.746835
36 SXZ 0.452174 0.833333
37 CA0 0.451923 0.722892
38 AMP MG 0.45 0.698795
39 YSA 0.449153 0.673913
40 MTA 0.447917 0.786667
41 GEK 0.446429 0.866667
42 SRP 0.445455 0.756098
43 AMP 0.444444 0.716049
44 A 0.444444 0.716049
45 LAD 0.443478 0.783133
46 AMO 0.442478 0.756098
47 DSZ 0.442478 0.673913
48 FA5 0.440678 0.777778
49 5AL 0.440367 0.731707
50 ADX 0.438095 0.637363
51 5CA 0.4375 0.655914
52 53H 0.4375 0.621053
53 D3Y 0.4375 0.826667
54 XAH 0.436975 0.744186
55 BA3 0.436893 0.719512
56 A5A 0.436364 0.641304
57 AOC 0.435644 0.786667
58 5AD 0.433333 0.736111
59 B4P 0.432692 0.719512
60 AP5 0.432692 0.719512
61 ABM 0.431373 0.698795
62 A2D 0.431373 0.719512
63 WAQ 0.431034 0.759036
64 Y3J 0.430108 0.788732
65 LSS 0.429825 0.642105
66 A7D 0.428571 0.837838
67 AN2 0.428571 0.690476
68 VMS 0.428571 0.62766
69 54H 0.428571 0.62766
70 A3S 0.428571 0.824324
71 ME8 0.42735 0.744186
72 S4M 0.427184 0.780488
73 AHX 0.426087 0.709302
74 A5D 0.425926 0.8
75 SRA 0.425743 0.682353
76 TYR AMP 0.425 0.756098
77 TSB 0.424779 0.634409
78 AP2 0.423077 0.714286
79 A12 0.423077 0.714286
80 G5A 0.422018 0.673913
81 DSH 0.421569 0.853333
82 OOB 0.421053 0.753086
83 8QN 0.421053 0.731707
84 A3T 0.420561 0.786667
85 ATP 0.420561 0.698795
86 50T 0.420561 0.690476
87 9SN 0.420168 0.792683
88 3AM 0.42 0.682927
89 5AS 0.419048 0.621053
90 ADP 0.419048 0.698795
91 GAP 0.418182 0.743902
92 A3N 0.417476 0.8
93 0XU 0.416667 0.835616
94 AQP 0.416667 0.698795
95 5FA 0.416667 0.698795
96 52H 0.415929 0.621053
97 NB8 0.415254 0.729412
98 TXA 0.415254 0.714286
99 7MD 0.414634 0.744186
100 DLL 0.413793 0.753086
101 00A 0.413793 0.780488
102 NVA LMS 0.413793 0.642105
103 SAP 0.412844 0.666667
104 AD9 0.412844 0.682353
105 AGS 0.412844 0.666667
106 DAL AMP 0.412281 0.731707
107 M33 0.411215 0.690476
108 AU1 0.411215 0.682353
109 ADP MG 0.411215 0.690476
110 VRT 0.409091 0.805195
111 SO8 0.409091 0.75641
112 A3G 0.407767 0.837838
113 NEC 0.407767 0.76
114 ACP 0.407407 0.702381
115 BEF ADP 0.407407 0.714286
116 ADP BEF 0.407407 0.714286
117 3NZ 0.40678 0.794872
118 YLB 0.40625 0.747126
119 YLC 0.40625 0.764706
120 TAT 0.405405 0.674419
121 4AD 0.405172 0.746988
122 NSS 0.405172 0.655914
123 PAJ 0.405172 0.681818
124 YLP 0.404762 0.747126
125 APC 0.40367 0.714286
126 APR 0.40367 0.719512
127 PRX 0.40367 0.702381
128 AR6 0.40367 0.719512
129 FYA 0.403361 0.753086
130 PTJ 0.403361 0.689655
131 1ZZ 0.403361 0.704545
132 JB6 0.403361 0.717647
133 AAT 0.401786 0.807692
134 ADP PO3 0.4 0.716049
135 4YB 0.4 0.695652
136 RBY 0.4 0.73494
137 ADV 0.4 0.73494
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5ULP; Ligand: KB1; Similar sites found: 428
This union binding pocket(no: 1) in the query (biounit: 5ulp.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5K6A NAP 0.006079 0.4032 None
2 1NFQ NAI 0.001822 0.42742 1.15385
3 2CUL FAD 0.005479 0.41115 1.2931
4 1JJV ATP 0.0393 0.40129 1.45631
5 4NTC FAD 0.002679 0.43074 1.49254
6 3BMQ NAP 0.004274 0.40949 1.49254
7 3JQF NAP 0.0044 0.40898 1.49254
8 1MXH DHF 0.008101 0.40719 1.49254
9 5JDI NAP 0.005166 0.40477 1.49254
10 4CME NAP 0.005294 0.40433 1.49254
11 4CLO NAP 0.004977 0.40404 1.49254
12 1MXH NAP 0.009616 0.40402 1.49254
13 3JQ9 NAP 0.005865 0.40384 1.49254
14 2VZ0 D64 0.03381 0.40332 1.49254
15 2VZ0 NAP 0.03381 0.40332 1.49254
16 4CLR NAP 0.005877 0.40248 1.49254
17 4CM9 NAP 0.006421 0.40222 1.49254
18 3BMO NAP 0.006423 0.40089 1.49254
19 2WD7 NAP 0.006599 0.40041 1.49254
20 1VL8 NAP 0.0004695 0.40319 1.49813
21 1RSG FAD 0.002004 0.43715 1.55039
22 3OID NDP 0.006364 0.40611 1.55039
23 1YY5 FAD 0.00372 0.42751 1.55945
24 5E1M PRO PRO LYS ARG ILE ALA 0.00006132 0.49146 1.65975
25 5E1M SAH 0.00006132 0.49146 1.65975
26 2JJQ SAH 0.0000005476 0.49304 1.86567
27 4RPL 3UC 0.0004319 0.48522 1.86567
28 2PT9 2MH 0.00009397 0.48372 1.86567
29 4RPL FAD 0.0005434 0.4785 1.86567
30 2PT9 S4M 0.0001433 0.46315 1.86567
31 3A25 SAM 0.0002918 0.42567 1.86567
32 1XSE NDP 0.003728 0.42358 1.86567
33 4LJ9 ACP 0.009233 0.42196 1.86567
34 1JQD SAH 0.002571 0.41857 1.86567
35 2AOT SAH 0.0003501 0.41289 1.86567
36 2I7C AAT 0.0001336 0.41283 1.86567
37 3QWI CUE 0.01248 0.40207 1.86567
38 3QWI NAP 0.007448 0.40207 1.86567
39 4D42 NAP 0.01779 0.40201 1.86567
40 4D42 W0I 0.01779 0.40201 1.86567
41 1IY8 NAD 0.002591 0.41978 1.87266
42 2EJU SAH 0.000004385 0.55018 2.23881
43 4PIO SAH 0.0003445 0.46017 2.23881
44 4PIO AVI 0.0003275 0.45971 2.23881
45 3O7W SAM 0.00002383 0.44703 2.23881
46 1BXK NAD 0.00111 0.43208 2.23881
47 3SQP FAD 0.03717 0.42398 2.23881
48 1KEW NAD 0.00717 0.42018 2.23881
49 1PN0 FAD 0.006731 0.41895 2.23881
50 1PN0 IPH 0.00703 0.41895 2.23881
51 5MZI FYK 0.01073 0.41815 2.23881
52 5MZI FAD 0.01037 0.41815 2.23881
53 3LRE ADP 0.02233 0.41204 2.23881
54 3MJE NDP 0.003883 0.41121 2.23881
55 5L53 NAP 0.001959 0.40781 2.23881
56 1KEW TYD 0.01562 0.4045 2.23881
57 1O5I NAD 0.004534 0.41361 2.40964
58 4QED NAP 0.003826 0.41147 2.41935
59 3NUG NAD 0.0008627 0.43947 2.42915
60 4RDH AMP 0.004722 0.42369 2.43056
61 1QAN SAH 0.000002239 0.5446 2.45902
62 4N49 SAM 0.000000002918 0.6248 2.61194
63 3GU3 SAH 0.000001824 0.60507 2.61194
64 2UYQ SAM 0.0001135 0.53597 2.61194
65 5X62 SAH 0.0000917 0.49712 2.61194
66 3VSE SAH 0.000004337 0.45742 2.61194
67 1KYQ NAD 0.001372 0.44413 2.61194
68 3S5W FAD 0.0007044 0.4431 2.61194
69 2Z3Y F2N 0.002083 0.43743 2.61194
70 1E6E FAD 0.001986 0.43082 2.61194
71 4BV6 FAD 0.002902 0.42925 2.61194
72 1E1M FAD 0.005169 0.42801 2.61194
73 1E1M NAP 0.005169 0.42801 2.61194
74 3I27 SID 0.0199 0.41362 2.61194
75 3H4V DVP 0.00714 0.41343 2.61194
76 3CH6 NAP 0.01312 0.40936 2.61194
77 3CH6 311 0.01312 0.40936 2.61194
78 3H4V NAP 0.008823 0.40854 2.61194
79 2NYR SVR 0.03565 0.40416 2.61194
80 3WGT QSC 0.01604 0.40323 2.61194
81 3WGT FAD 0.01539 0.40323 2.61194
82 2WET FAD 0.01343 0.4007 2.61194
83 3I53 SAH 0.00009885 0.45345 2.71084
84 4OBW SAM 0.0006349 0.45479 2.72374
85 4XUC 43G 0.00005312 0.49405 2.75229
86 4XUC SAM 0.00005312 0.49405 2.75229
87 1YC5 NCA 0.005851 0.40118 2.84553
88 1LSS NAD 0.00005534 0.49144 2.85714
89 3GDH SAH 0.00000006838 0.59416 2.90456
90 1V59 FAD 0.003578 0.42915 2.92887
91 1V59 NAD 0.0003684 0.40423 2.92887
92 5MGZ SAH 0.00008525 0.48828 2.9661
93 1G55 SAH 0.0000009228 0.52364 2.98507
94 2YX1 SFG 0.000000641 0.49282 2.98507
95 3TKY SAH 0.00001744 0.47684 2.98507
96 3A27 SAM 0.0000197 0.46701 2.98507
97 1UWK URO 0.002538 0.43562 2.98507
98 1UWK NAD 0.002538 0.43562 2.98507
99 3CGD COA 0.008812 0.43095 2.98507
100 3CGD FAD 0.008812 0.43095 2.98507
101 3CGD NAD 0.008812 0.43095 2.98507
102 3NTD FAD 0.002352 0.42999 2.98507
103 3NTA FAD 0.002601 0.42813 2.98507
104 5XVK SAH 0.000868 0.4268 2.98507
105 5EB4 FAD 0.004015 0.42221 2.98507
106 2V6G NAP 0.002674 0.41921 2.98507
107 3AYI HCI 0.009444 0.41642 2.98507
108 3AYI FAD 0.009082 0.41642 2.98507
109 4USR FAD 0.004914 0.41079 2.98507
110 1RKX NAD 0.004668 0.40922 2.98507
111 2XT3 ADP 0.03544 0.40748 2.98507
112 4RW3 DKA 0.0123 0.40648 2.98507
113 3NT6 FAD 0.009052 0.40514 2.98507
114 1GPM AMP 0.02956 0.40366 2.98507
115 2A14 SAH 0.002133 0.40831 3.04183
116 5M58 SAH 0.000303 0.42945 3.04348
117 2AE2 PTO 0.001664 0.43854 3.07692
118 2AE2 NAP 0.001664 0.43854 3.07692
119 5ITV NAI 0.001679 0.42755 3.13725
120 5MPT SAH 0.000003805 0.5529 3.35821
121 3DMH GMP 0.00001876 0.50259 3.35821
122 3DMH SAM 0.000005477 0.4997 3.35821
123 4BLW AMP 0.00004296 0.4979 3.35821
124 3S1S SAH 0.00001524 0.49486 3.35821
125 4BLW SAH 0.00005063 0.48323 3.35821
126 3SSO SAH 0.0003179 0.4692 3.35821
127 4YUW S4M 0.003679 0.45754 3.35821
128 4YUW 4JU 0.003761 0.45754 3.35821
129 4HA6 FAD 0.002017 0.43802 3.35821
130 5FJN FAD 0.002633 0.43206 3.35821
131 5FJN BE2 0.003066 0.43206 3.35821
132 5JCA FAD 0.003487 0.42682 3.35821
133 5JCA NDP 0.008631 0.42306 3.35821
134 3NKS FAD 0.003626 0.42093 3.35821
135 5THQ NDP 0.002291 0.42062 3.35821
136 3AB1 FAD 0.006306 0.41383 3.35821
137 2E5V FAD 0.008681 0.41068 3.35821
138 1N5D NDP 0.004363 0.41044 3.35821
139 4JDR FAD 0.008844 0.4085 3.35821
140 4X9M FAD 0.00901 0.4072 3.35821
141 4Q9N NAI 0.006347 0.40371 3.35821
142 3EGI ADP 0.0002887 0.50942 3.39806
143 3BGD SAH 0.00008946 0.47366 3.46154
144 3BGD PM6 0.0001273 0.44426 3.46154
145 1Q0S SAH 0.000006753 0.51435 3.4749
146 2DPM SAM 0.00001228 0.51388 3.52113
147 2BD0 NAP 0.002793 0.41974 3.68852
148 5E8J SAH 0.000002005 0.58664 3.73134
149 1YXM ADE 0.0000807 0.53929 3.73134
150 4DMG SAM 0.00003057 0.53753 3.73134
151 2ZIF SAM 0.00001354 0.52284 3.73134
152 4C4A SAH 0.000002806 0.50551 3.73134
153 5E9W SAH 0.000004684 0.4603 3.73134
154 4DCM SAM 0.00001623 0.45827 3.73134
155 2XVE FAD 0.006006 0.42947 3.73134
156 3UOY FAD 0.0108 0.4218 3.73134
157 3UOY NAP 0.0108 0.4218 3.73134
158 2IID PHE 0.008263 0.41973 3.73134
159 2IID FAD 0.008263 0.41973 3.73134
160 1KYZ SAH 0.006196 0.41513 3.73134
161 2YY7 NAD 0.005361 0.40674 3.73134
162 4C3Y FAD 0.01039 0.40548 3.73134
163 4C3Y ANB 0.01443 0.40365 3.73134
164 1XDS SAM 0.00018 0.4946 3.74332
165 3C3Y SAH 0.00001243 0.48486 3.79747
166 1G60 SAM 0.000004629 0.49809 3.84615
167 4R6W SAH 0.0000788 0.4294 3.87597
168 3MB5 SAM 0.01719 0.4289 3.92157
169 5THY SAH 0.000000796 0.53437 4.10448
170 5THZ SAH 0.000002213 0.52855 4.10448
171 3PT9 SAH 0.000000608 0.52238 4.10448
172 4EUE NAI 0.0001069 0.4784 4.10448
173 4FC7 COA 0.001143 0.44762 4.10448
174 4FC7 NAP 0.001143 0.44762 4.10448
175 1I8T FAD 0.001577 0.43845 4.10448
176 1KPG SAH 0.0006427 0.42759 4.10448
177 2CDU FAD 0.003834 0.41879 4.10448
178 1Q9I FAD 0.01276 0.41275 4.10448
179 1Q9I TEO 0.01276 0.41275 4.10448
180 4YAG NAI 0.008151 0.41095 4.10448
181 4FN4 NAD 0.004649 0.40799 4.10448
182 4J36 1HR 0.01022 0.40761 4.10448
183 4J36 FAD 0.006564 0.40555 4.10448
184 1XCL SAH 0.0002321 0.46447 4.25532
185 4RSL FAD 0.00679 0.40833 4.26966
186 3FRH SAH 0.001709 0.41468 4.34783
187 2VDV SAM 0.000003498 0.57525 4.47154
188 1DL5 SAH 0.000001134 0.54995 4.47761
189 2JHP SAH 0.0002181 0.48015 4.47761
190 3G89 SAM 0.00001831 0.44653 4.47761
191 4AZW SAM 0.0001845 0.43894 4.47761
192 1COY FAD 0.002092 0.43534 4.47761
193 2Y6Q FAD 0.002898 0.41908 4.47761
194 2Y6Q I7T 0.006395 0.41908 4.47761
195 3GWZ SAH 0.000263 0.41332 4.47761
196 3M6W SAM 0.006104 0.41136 4.47761
197 3LAD FAD 0.01126 0.4049 4.47761
198 1COY AND 0.01925 0.40475 4.47761
199 3GXO SAH 0.0008076 0.40424 4.47761
200 4M52 FAD 0.01207 0.4036 4.47761
201 5U8U FAD 0.02905 0.40101 4.47761
202 3D3W NAP 0.001857 0.42838 4.5082
203 1PR9 NAP 0.002346 0.42416 4.5082
204 3JWH SAH 0.000006776 0.45634 4.60829
205 3L9W AMP 0.00005651 0.48826 4.85075
206 3L9W GSH 0.0002207 0.46074 4.85075
207 4REP FAD 0.001574 0.43848 4.85075
208 1N4W FAD 0.00223 0.43615 4.85075
209 1D4D FAD 0.002626 0.43309 4.85075
210 2GVC FAD 0.001712 0.42985 4.85075
211 1VQW FAD 0.001749 0.42946 4.85075
212 4D7E FAD 0.003712 0.41939 4.85075
213 1ZMD FAD 0.005972 0.4177 4.85075
214 4CNK FAD 0.004844 0.41668 4.85075
215 5KMS FAD 0.004515 0.4158 4.85075
216 2F5Z FAD 0.006893 0.41501 4.85075
217 5J60 FAD 0.006261 0.41396 4.85075
218 1ORR NAD 0.004384 0.41285 4.85075
219 1ZMD NAI 0.003508 0.40724 4.85075
220 4A6D SAM 0.01276 0.40345 4.85075
221 2V3A FAD 0.01189 0.4001 4.85075
222 5KMS NAD 0.02533 0.40005 4.85075
223 5K7U SAM 0.00001858 0.46841 4.88889
224 5L95 AMP 0.001007 0.41191 5
225 1P1C SAH 0.0006912 0.43033 5.02513
226 2PWY SAH 0.0007936 0.4613 5.03876
227 4O1M NAD 0.005468 0.40509 5.07937
228 3OFK SAH 0.0003963 0.45117 5.09259
229 2WSB NAD 0.003526 0.42462 5.11811
230 5IL1 SAM 0.00002634 0.51581 5.18868
231 1QZZ SAM 0.0001394 0.49983 5.22388
232 3UCL FAD 0.005688 0.43319 5.22388
233 3UCL NAP 0.006259 0.43319 5.22388
234 3UCL CYH 0.005688 0.43319 5.22388
235 3ICS FAD 0.00205 0.43251 5.22388
236 3ICR FAD 0.00199 0.43194 5.22388
237 3ICT FAD 0.002445 0.42816 5.22388
238 4YNU FAD 0.007397 0.41458 5.22388
239 4EMI NAD 0.01536 0.41114 5.22388
240 4EMI FAD 0.006539 0.41114 5.22388
241 3ZNN 4WL 0.0151 0.40948 5.22388
242 3ZNN FAD 0.0151 0.40948 5.22388
243 4X60 SFG 0.00003588 0.40749 5.22388
244 3KLJ FAD 0.005922 0.40741 5.22388
245 4X60 3XV 0.00003852 0.4028 5.22388
246 5BQ5 ADP BEF 0.00657 0.42091 5.29101
247 1WY7 SAH 0.0000008598 0.53631 5.31401
248 4UCI SAM 0.0000002423 0.54623 5.54217
249 2PXX SAH 0.000002146 0.55743 5.5814
250 1NV8 SAM 0.00001626 0.50699 5.59701
251 1NW5 SAM 0.000004673 0.49702 5.59701
252 1NV8 MEQ 0.0000821 0.47654 5.59701
253 3C6K MTA 0.0002209 0.47094 5.59701
254 3C6K SPD 0.0002209 0.47094 5.59701
255 1RJD SAM 0.0001569 0.44575 5.59701
256 5HSA FAS 0.001797 0.43816 5.59701
257 4MO2 FDA 0.001854 0.43324 5.59701
258 2VVM FAD 0.00284 0.42863 5.59701
259 4MO2 FAD 0.002867 0.42634 5.59701
260 3GDN HBX 0.006441 0.42223 5.59701
261 3GDN FAD 0.004457 0.42223 5.59701
262 1BZL FAD 0.02364 0.41748 5.59701
263 4HSU FAD 0.006405 0.41729 5.59701
264 2B9W FAD 0.01115 0.41467 5.59701
265 4OPC PGT 0.04376 0.40778 5.59701
266 4OPC FDA 0.03848 0.40778 5.59701
267 4FWE FAD 0.01103 0.40619 5.59701
268 2PZM NAD 0.01146 0.40546 5.59701
269 2PZM UDP 0.01146 0.40546 5.59701
270 5GWX SAR 0.002421 0.40285 5.59701
271 5GWX SAM 0.002421 0.40285 5.59701
272 5DM1 SAH 0.00003069 0.5098 5.61798
273 5DM1 5D7 0.00003304 0.5098 5.61798
274 1IM8 SAI 0.000001081 0.52618 5.7377
275 2PS1 ORO 0.02062 0.40857 5.75221
276 4FZV SAM 0.00000007701 0.56952 5.85774
277 3DXY SAM 0.00007791 0.51794 5.9633
278 4ONQ SFG 0.00000328 0.55575 5.97015
279 3X0D SAH 0.00001426 0.4793 5.97015
280 1MO9 FAD 0.008287 0.43271 5.97015
281 1W8D NAP 0.0009562 0.42827 5.97015
282 1W73 NAP 0.001114 0.42562 5.97015
283 4IEE AGS 0.01198 0.42061 5.97015
284 1W6U NAP 0.002043 0.41507 5.97015
285 1AE1 NAP 0.003975 0.41462 5.97015
286 1H82 FAD 0.01177 0.41361 5.97015
287 1H82 GZZ 0.01399 0.41361 5.97015
288 5CG1 NAD BBN 0.02396 0.40303 5.97015
289 1U2Z SAH 0.00004831 0.47528 6.00462
290 2XVM SAH 0.0000004296 0.50128 6.03015
291 4IWN GEK 0.000007481 0.5069 6.11354
292 4F8L AES 0.01879 0.41693 6.2069
293 4NBW NAD 0.003418 0.41069 6.22568
294 1N2X SAM 0.000002408 0.53766 6.34328
295 4M73 SAH 0.00001722 0.51753 6.34328
296 4M73 M72 0.00005871 0.49652 6.34328
297 1JQ3 AAT 0.000129 0.47653 6.34328
298 5JAQ NAI 0.0007786 0.45148 6.34328
299 2ZWA SAH 0.0004245 0.44993 6.34328
300 1GY8 NAD 0.0009768 0.43725 6.34328
301 1XG5 NAP 0.003757 0.41312 6.34328
302 3O26 NDP 0.004028 0.41055 6.34328
303 2HMT NAI 0.0433 0.408 6.34328
304 5MBX FAD 0.01732 0.40543 6.34328
305 5MBX SP5 0.01732 0.40543 6.34328
306 4IV9 FAD 0.01092 0.40361 6.34328
307 3LCC SAH 0.000006389 0.47862 6.38298
308 4NBU NAI 0.001242 0.43294 6.4
309 1VE3 SAM 0.00001414 0.52774 6.60793
310 5HJM MTA 0.000004092 0.54531 6.71642
311 3VC1 SAH 0.00003498 0.51007 6.71642
312 3VC1 GST 0.00003498 0.51007 6.71642
313 2O07 MTA 0.0002776 0.45503 6.71642
314 2O07 SPD 0.0003393 0.45467 6.71642
315 4HXY NDP 0.0003798 0.45416 6.71642
316 2Q7V FAD 0.00299 0.42869 6.71642
317 4CS9 AMP 0.001287 0.49534 6.87831
318 2AG5 NAD 0.006099 0.40314 6.91057
319 1EFV FAD 0.003458 0.43803 7.05882
320 1EFV AMP 0.004016 0.43514 7.05882
321 5DWQ SFG 0.00002161 0.49414 7.08955
322 5DX0 SFG 0.00003175 0.48948 7.08955
323 1GPE FAD 0.001668 0.44353 7.08955
324 4II2 ATP 0.0009186 0.43973 7.08955
325 3FUU ADN 0.0006283 0.41962 7.08955
326 2WPF FAD 0.02299 0.41764 7.08955
327 2WPF WPF 0.03434 0.41055 7.08955
328 1EJ0 SAM 0.00000001035 0.58585 7.22222
329 2EG5 SAH 0.000006304 0.5632 7.46269
330 4MIG G3F 0.002074 0.44214 7.46269
331 3GRU AMP 0.0004997 0.43684 7.46269
332 5G3U FDA 0.002922 0.42599 7.46269
333 3QVP FAD 0.005304 0.41992 7.46269
334 2HQM FAD 0.005388 0.41869 7.46269
335 4YRY FAD 0.005554 0.41812 7.46269
336 2B4Q NAP 0.003086 0.41531 7.46269
337 4YRY NAD 0.01248 0.41106 7.46269
338 3LXD FAD 0.007841 0.4046 7.46269
339 5G3U ITW 0.01541 0.40074 7.46269
340 2CBZ ATP 0.02146 0.42283 7.59494
341 3DUW SAH 0.00009878 0.45015 7.62332
342 3HVJ 705 0.00001466 0.52195 7.69231
343 3TLJ SAH 0.000002034 0.54066 7.83582
344 3EGV SAH 0.00003608 0.51538 7.83582
345 2NXE SAM 0.00002683 0.46423 7.83582
346 1Y8Q ATP 0.0005162 0.43899 7.83582
347 2BRY FAD 0.002796 0.42098 7.83582
348 4TXI FAD 0.002633 0.4208 7.83582
349 4EIP K2C 0.006793 0.41793 7.83582
350 4EIP FAD 0.006793 0.41793 7.83582
351 4Z24 FAD 0.008424 0.41033 7.83582
352 3CTY FAD 0.003379 0.42931 7.83699
353 5KOK SAH 0.000002188 0.50878 8.20895
354 5KOK S9T 0.00005193 0.49447 8.20895
355 5KOK R9T 0.0001493 0.47388 8.20895
356 1ZQ9 SAM 0.00008644 0.4451 8.20895
357 5L4S 6KX 0.005703 0.41261 8.20895
358 5L4S NAP 0.005703 0.41261 8.20895
359 1GEG NAD 0.001272 0.40036 8.20895
360 1R18 SAH 0.006556 0.41945 8.37004
361 5JCM NAD 0.004399 0.43824 8.58209
362 5JCM ISD 0.004399 0.43824 8.58209
363 5JCM FAD 0.004253 0.43824 8.58209
364 2R4J FAD 0.008034 0.41878 8.58209
365 2R4J 13P 0.008034 0.41878 8.58209
366 1JNR FAD 0.01959 0.41331 8.66667
367 3AD8 NAD 0.002337 0.42547 8.86699
368 3AD8 FAD 0.02147 0.4076 8.86699
369 3AD8 PYC 0.02147 0.4076 8.86699
370 3G2O SAM 0.000003129 0.49668 8.95522
371 2GAG NAD 0.001837 0.4334 8.95522
372 1ELI PYC 0.00699 0.40991 8.95522
373 3G5S FAD 0.008207 0.40592 8.95522
374 2GAG FAD 0.01234 0.40579 8.95522
375 2GAG FOA 0.01379 0.40369 8.95522
376 4QTU SAM 0.000001171 0.56881 9.13461
377 3Q87 SAM 0.00005755 0.47197 9.6
378 4ITU NAI 0.002446 0.4234 9.66543
379 4ITU 1HS 0.004187 0.4234 9.66543
380 4Y2H SAH 0.00008115 0.49322 9.70149
381 4Y2H 49K 0.000129 0.48467 9.70149
382 4TM3 FAD 0.003825 0.44292 9.70149
383 3NDJ SAH 0.005417 0.42221 9.70149
384 3NDJ JHZ 0.005417 0.42221 9.70149
385 1JG3 ADN 0.00009704 0.44216 9.78723
386 3A4T SFG 0.00000034 0.57862 9.85401
387 1Z3C SA8 0.0000285 0.4988 10.0746
388 2BZG SAH 0.00006935 0.44779 10.0746
389 2JB2 PHE 0.001125 0.44579 10.0746
390 2JB2 FAD 0.00106 0.44579 10.0746
391 1I1N SAH 0.000006746 0.52064 10.177
392 3VYW SAM 0.0000246 0.50637 10.4478
393 1GET NAP 0.01433 0.41678 10.4478
394 1GET FAD 0.0135 0.41678 10.4478
395 1I7M CG 0.01652 0.4094 10.4478
396 4POO SAM 0.00009976 0.46756 10.5
397 5FTW SAH 0.0003565 0.45715 11.3281
398 2XYQ SAH 0.000006052 0.49037 11.4754
399 1O97 FAD 0.008135 0.42077 11.5672
400 1O97 AMP 0.008135 0.42077 11.5672
401 3E1T FAD 0.00511 0.42062 11.5672
402 3F8D FAD 0.03333 0.40104 11.5672
403 2BOS GLA GAL GLC NBU 0.00885 0.42853 11.7647
404 1U1J C2F 0.01313 0.42105 11.9403
405 4YSX FAD 0.00708 0.41168 11.9403
406 5T2U NAP 0.00482 0.41114 11.9403
407 4X7Y SAH 0.003122 0.42789 12.3134
408 4J56 FAD 0.01437 0.40207 12.6866
409 1QO8 FAD 0.005643 0.41783 13.0597
410 1WG8 SAM 0.000006988 0.51375 13.806
411 1L1E SAH 0.0006489 0.44613 13.806
412 5BUK FAD 0.004521 0.42384 13.806
413 1TPY SAH 0.0005906 0.42845 14.1791
414 4J1Q NDP 0.003387 0.41085 15.2985
415 2YVJ FAD 0.008769 0.4047 15.5963
416 2FK8 SAM 0.0008412 0.41858 15.6716
417 3QOX SAH 0.000007828 0.50596 16.0448
418 1KPH SAH 0.0006513 0.42689 16.4179
419 5MW4 5JU 0.00000745 0.5387 17.9104
420 1EK6 NAI 0.006432 0.42381 17.9104
421 1EK6 UPG 0.01234 0.4127 17.9104
422 1YQZ FAD 0.005212 0.43153 20.1493
423 4GQB 0XU 0.02241 0.4248 27.2727
424 4M38 SAH 0.00001576 0.4842 28.5714
425 5FA5 MTA 0.00004907 0.44042 30
426 5DX1 SFG 0.000005979 0.51865 36.8421
427 5DX8 SFG 0.00001277 0.50813 36.8421
428 5DXA SFG 0.00001621 0.50391 36.8421
Pocket No.: 2; Query (leader) PDB : 5ULP; Ligand: KB1; Similar sites found: 12
This union binding pocket(no: 2) in the query (biounit: 5ulp.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3U31 NAD 0.006649 0.40021 2.61194
2 1UH4 GLC GLC GLC GLC GLC GLC 0.02656 0.40418 2.98507
3 3QCQ 3Q0 0.0147 0.42217 4.85075
4 3L8H FX1 0.02623 0.40698 5.02793
5 4YNU LGC 0.01752 0.40154 5.22388
6 4GUT FAD 0.01047 0.40975 5.59701
7 1MO9 KPC 0.01116 0.42724 5.97015
8 1JJ7 ADP 0.02422 0.41968 7.46269
9 4CVN ADP 0.02817 0.40569 9.48905
10 2CJW GDP 0.01489 0.41165 10.4167
11 2BOS GLA GAL GLC 0.009205 0.42767 11.7647
12 1KNR FAD 0.008156 0.40905 12.6866
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