Receptor
PDB id Resolution Class Description Source Keywords
2x9v 1.3 Å EC: 1.5.1.33 HIGH RESOLUTION STRUCTURE OF TBPTR1 WITH TRIMETREXATE TRYPANOSOMA BRUCEI BRUCEI OXIDOREDUCTASE SHORT CHAIN DEHYDROGENASE
Ref.: HIGH-RESOLUTION STRUCTURES OF TRYPANOSOMA BRUCEI PTERIDINE REDUCTASE LIGAND COMPLEXES INFORM ON THE PLACEMENT OF NEW MOLECULAR ENTITIES IN THE ACTIVE SITE OF A POTENTIAL DRUG TARGET ACTA CRYSTALLOGR.,SECT.D V. 66 1334 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:1271;
B:1271;
B:1272;
C:1271;
C:1272;
D:1271;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
NAP A:1269;
B:1269;
C:1269;
D:1269;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
TMQ A:1270;
B:1270;
C:1270;
D:1270;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Ki ~ 70 nM
370.426 C19 H24 N5 O3 Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2VZ0 1.9 Å EC: 1.5.1.33 PTERIDINE REDUCTASE 1 (PTR1) FROM TRYPANOSOMA BRUCEI IN COMPLEX WITH NADP AND DDD00066641 TRYPANOSOMA BRUCEI BRUCEI OXIDOREDUCTASE SHORT-CHAIN DEHYDROGENASE/REDUCTASE TRYPANOSOMATIDS PTERIDINE REDUCTASE
Ref.: DEVELOPMENT AND VALIDATION OF A CYTOCHROME C COUPLE FOR PTERIDINE REDUCTASE 1 AND DIHYDROFOLATE REDUCTA ANAL.BIOCHEM. V. 396 194 2010
Members (30)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 4CLX Ki = 1.2 uM Q0K C13 H12 N4 O Cc1ccc(cc1....
2 4CM1 Ki = 0.32 uM IQW C13 H13 N5 Cc1ccc(cc1....
3 4CM7 Ki = 0.26 uM H0V C14 H15 N5 c1ccc(cc1)....
4 3JQ6 Ki = 3.3 uM DX1 C12 H18 N6 CC(C)c1c(n....
5 4CMB Ki = 0.56 uM UEN C18 H20 F N5 c1cc(ccc1c....
6 4CMG Ki = 0.58 uM UHX C19 H16 F N5 O COc1ccc(cc....
7 2X9N Ki > 0.035 mM AX3 C6 H10 N6 C1CC1Nc2nc....
8 4CMC Ki = 0.2 uM VS8 C24 H25 N5 c1ccc(cc1)....
9 4CLH Ki = 8.6 uM W8G C10 H13 N5 S c1c[nH]c2c....
10 5JCX ic50 ~ 60 uM CC6 C15 H10 O6 c1ccc(c(c1....
11 4CMA Ki = 0.59 uM M2N C18 H15 N5 c1ccc(cc1)....
12 2VZ0 Ki = 9.8 nM D64 C15 H14 N4 Cc1ccc(cc1....
13 3MCV Ki = 70 nM MCV C16 H18 N4 O2 S COc1ccc(c(....
14 2WD8 Kd = 10.6 uM VGF C20 H15 Cl2 N3 c1ccc(cc1)....
15 3GN1 Ki = 288 uM AX7 C7 H7 N3 c1ccc2c(c1....
16 4CM6 Ki = 0.137 uM AOB C15 H11 N5 O c1ccc(cc1)....
17 4CLE Ki = 4.2 uM JR2 C10 H13 N5 c1c[nH]c2c....
18 4CM5 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
19 3GN2 Ki = 0.4 uM AX8 C14 H11 Cl2 N3 c1ccc2c(c1....
20 4CMJ Ki = 0.135 uM UIH C18 H14 Br N5 c1ccc(cc1)....
21 2X9G Ki ~ 30 nM LYA C20 H21 N5 O6 c1cc(ccc1C....
22 2C7V Ki = 152 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
23 3JQE Ki = 0.36 uM DX8 C14 H11 N5 O2 COc1ccc(cc....
24 2X9V Ki ~ 70 nM TMQ C19 H24 N5 O3 Cc1c(ccc2c....
25 4CM3 Ki = 0.4 uM KP2 C12 H11 N5 c1ccc(cc1)....
26 4CMK Ki = 0.95 uM FQW C20 H18 N4 O c1ccc(cc1)....
27 4CLD Ki = 8.8 uM JUO C11 H12 N6 S c1c(c2c([n....
28 4CL8 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
29 3JQC Ki = 3.9 uM JU2 C7 H4 Br N5 O C(#N)c1c2c....
30 3JQD Ki = 0.71 uM DX7 C13 H9 N5 O c1ccc(cc1)....
70% Homology Family (32)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 4CLX Ki = 1.2 uM Q0K C13 H12 N4 O Cc1ccc(cc1....
2 4CM1 Ki = 0.32 uM IQW C13 H13 N5 Cc1ccc(cc1....
3 4CM7 Ki = 0.26 uM H0V C14 H15 N5 c1ccc(cc1)....
4 3JQ6 Ki = 3.3 uM DX1 C12 H18 N6 CC(C)c1c(n....
5 4CMB Ki = 0.56 uM UEN C18 H20 F N5 c1cc(ccc1c....
6 4CMG Ki = 0.58 uM UHX C19 H16 F N5 O COc1ccc(cc....
7 2X9N Ki > 0.035 mM AX3 C6 H10 N6 C1CC1Nc2nc....
8 4CMC Ki = 0.2 uM VS8 C24 H25 N5 c1ccc(cc1)....
9 4CLH Ki = 8.6 uM W8G C10 H13 N5 S c1c[nH]c2c....
10 5JCX ic50 ~ 60 uM CC6 C15 H10 O6 c1ccc(c(c1....
11 4CMA Ki = 0.59 uM M2N C18 H15 N5 c1ccc(cc1)....
12 2VZ0 Ki = 9.8 nM D64 C15 H14 N4 Cc1ccc(cc1....
13 3MCV Ki = 70 nM MCV C16 H18 N4 O2 S COc1ccc(c(....
14 2WD8 Kd = 10.6 uM VGF C20 H15 Cl2 N3 c1ccc(cc1)....
15 3GN1 Ki = 288 uM AX7 C7 H7 N3 c1ccc2c(c1....
16 4CM6 Ki = 0.137 uM AOB C15 H11 N5 O c1ccc(cc1)....
17 4CLE Ki = 4.2 uM JR2 C10 H13 N5 c1c[nH]c2c....
18 4CM5 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
19 3GN2 Ki = 0.4 uM AX8 C14 H11 Cl2 N3 c1ccc2c(c1....
20 4CMJ Ki = 0.135 uM UIH C18 H14 Br N5 c1ccc(cc1)....
21 2X9G Ki ~ 30 nM LYA C20 H21 N5 O6 c1cc(ccc1C....
22 2C7V Ki = 152 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
23 3JQE Ki = 0.36 uM DX8 C14 H11 N5 O2 COc1ccc(cc....
24 2X9V Ki ~ 70 nM TMQ C19 H24 N5 O3 Cc1c(ccc2c....
25 4CM3 Ki = 0.4 uM KP2 C12 H11 N5 c1ccc(cc1)....
26 4CMK Ki = 0.95 uM FQW C20 H18 N4 O c1ccc(cc1)....
27 4CLD Ki = 8.8 uM JUO C11 H12 N6 S c1c(c2c([n....
28 4CL8 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
29 3JQC Ki = 3.9 uM JU2 C7 H4 Br N5 O C(#N)c1c2c....
30 3JQD Ki = 0.71 uM DX7 C13 H9 N5 O c1ccc(cc1)....
31 1MXH - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
32 1MXF - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 4CLX Ki = 1.2 uM Q0K C13 H12 N4 O Cc1ccc(cc1....
2 4CM1 Ki = 0.32 uM IQW C13 H13 N5 Cc1ccc(cc1....
3 4CM7 Ki = 0.26 uM H0V C14 H15 N5 c1ccc(cc1)....
4 3JQ6 Ki = 3.3 uM DX1 C12 H18 N6 CC(C)c1c(n....
5 4CMB Ki = 0.56 uM UEN C18 H20 F N5 c1cc(ccc1c....
6 4CMG Ki = 0.58 uM UHX C19 H16 F N5 O COc1ccc(cc....
7 2X9N Ki > 0.035 mM AX3 C6 H10 N6 C1CC1Nc2nc....
8 4CMC Ki = 0.2 uM VS8 C24 H25 N5 c1ccc(cc1)....
9 4CLH Ki = 8.6 uM W8G C10 H13 N5 S c1c[nH]c2c....
10 5JCX ic50 ~ 60 uM CC6 C15 H10 O6 c1ccc(c(c1....
11 4CMA Ki = 0.59 uM M2N C18 H15 N5 c1ccc(cc1)....
12 2WD8 Kd = 10.6 uM VGF C20 H15 Cl2 N3 c1ccc(cc1)....
13 3GN1 Ki = 288 uM AX7 C7 H7 N3 c1ccc2c(c1....
14 4CM6 Ki = 0.137 uM AOB C15 H11 N5 O c1ccc(cc1)....
15 4CLE Ki = 4.2 uM JR2 C10 H13 N5 c1c[nH]c2c....
16 4CM5 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
17 3GN2 Ki = 0.4 uM AX8 C14 H11 Cl2 N3 c1ccc2c(c1....
18 4CMJ Ki = 0.135 uM UIH C18 H14 Br N5 c1ccc(cc1)....
19 2X9G Ki ~ 30 nM LYA C20 H21 N5 O6 c1cc(ccc1C....
20 2C7V Ki = 152 nM MTX C20 H22 N8 O5 CN(Cc1cnc2....
21 3JQE Ki = 0.36 uM DX8 C14 H11 N5 O2 COc1ccc(cc....
22 2X9V Ki ~ 70 nM TMQ C19 H24 N5 O3 Cc1c(ccc2c....
23 4CM3 Ki = 0.4 uM KP2 C12 H11 N5 c1ccc(cc1)....
24 4CMK Ki = 0.95 uM FQW C20 H18 N4 O c1ccc(cc1)....
25 4CLD Ki = 8.8 uM JUO C11 H12 N6 S c1c(c2c([n....
26 4CL8 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
27 3JQC Ki = 3.9 uM JU2 C7 H4 Br N5 O C(#N)c1c2c....
28 1MXH - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
29 1MXF - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
30 2BF7 - HBI C9 H13 N5 O3 C[C@@H]([C....
31 3H4V Ki = 0.1 uM DVP C21 H24 N8 O3 COC(=O)C1C....
32 1E7W - MTX C20 H22 N8 O5 CN(Cc1cnc2....
33 1E92 - HBI C9 H13 N5 O3 C[C@@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TMQ; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TMQ 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2VZ0; Ligand: D64; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2vz0.bio1) has 50 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2VZ0; Ligand: D64; Similar sites found: 253
This union binding pocket(no: 2) in the query (biounit: 2vz0.bio1) has 85 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5T9F TYR 0.009083 0.40382 None
2 5T9F NAP 0.01035 0.40342 None
3 4BWL MN9 0.01889 0.45654 1.1194
4 5E8J SAH 0.04525 0.41754 1.49254
5 5D4V SAH 0.03891 0.40495 1.49254
6 5ULP KB1 0.03381 0.40332 1.49254
7 1NYT NAP 0.03364 0.40125 1.49254
8 4PIV NDP 0.000003333 0.55975 1.86567
9 4PIV 2W4 0.01582 0.43539 1.86567
10 2G5C NAD 0.007106 0.42232 1.86567
11 5F5N NAD 0.0002481 0.49443 2.23881
12 2YVJ NAI 0.01146 0.43934 2.23881
13 5JE8 NAD 0.005065 0.43873 2.23881
14 1KYZ SAH 0.01369 0.43862 2.23881
15 3I6I NDP 0.003862 0.41625 2.23881
16 3WQQ NDP 0.003266 0.41331 2.23881
17 3WQQ IB3 0.003266 0.41331 2.23881
18 3A4T SFG 0.02798 0.41187 2.23881
19 2QRK AMP 0.005509 0.41035 2.23881
20 1JQ3 AAT 0.01185 0.4067 2.23881
21 4YCA NDP 0.02488 0.40509 2.23881
22 4XQC NAD 0.004573 0.40449 2.23881
23 1XA4 COA 0.03633 0.40408 2.23881
24 3VYW SAM 0.04815 0.40277 2.23881
25 4XQC 13D 0.005169 0.40093 2.23881
26 3ORF NAD 0.00001194 0.54452 2.39044
27 2XVM SAH 0.04736 0.41646 2.51256
28 3MJE NDP 0.0000003194 0.60737 2.61194
29 2FR1 NDP 0.0000008582 0.57996 2.61194
30 1ORR NAD 0.000001694 0.56355 2.61194
31 2F1K NAP 0.002702 0.44823 2.61194
32 5CAE COA 0.00607 0.43788 2.61194
33 1HYH NAD 0.003033 0.43562 2.61194
34 3GCZ SAM 0.01933 0.42788 2.61194
35 1U1I NAD 0.003374 0.42679 2.61194
36 3B20 NAD 0.01921 0.41475 2.61194
37 1ZMD NAI 0.01832 0.41334 2.61194
38 4D79 ATP 0.03862 0.41261 2.61194
39 5CAE SIN 0.009397 0.41083 2.61194
40 1E3I CXF 0.007025 0.41003 2.61194
41 1GQ2 NAP 0.01654 0.40869 2.61194
42 4TTB FMN 0.03886 0.41521 2.64151
43 5E5U MLI 0.03804 0.42656 2.65152
44 2EV9 SKM 0.01266 0.40749 2.6616
45 2EV9 NAP 0.01266 0.40749 2.6616
46 2DC1 NAD 0.003008 0.44342 2.9661
47 5MDH NAD 0.0004414 0.47999 2.98507
48 4MDH NAD 0.0008371 0.4678 2.98507
49 1KEW TYD 0.00003905 0.46393 2.98507
50 1KEW NAD 0.00004723 0.45894 2.98507
51 3KB6 NAD 0.003528 0.44038 2.98507
52 3G2O SAM 0.01626 0.43168 2.98507
53 5H81 NAP 0.01296 0.42791 2.98507
54 1F8G NAD 0.01491 0.42499 2.98507
55 1X87 NAD 0.01598 0.42096 2.98507
56 3L9W AMP 0.007548 0.41897 2.98507
57 1OMO NAD 0.01873 0.41526 2.98507
58 3L9W GSH 0.01605 0.40926 2.98507
59 2VT3 ATP 0.003677 0.48022 3.25581
60 3A4V NAD 0.000007777 0.52576 3.35821
61 3A4V PYR 0.000007777 0.52576 3.35821
62 1MV8 NAD 0.008825 0.42529 3.35821
63 2VHW NAI 0.003485 0.42198 3.35821
64 1NVM NAD 0.009574 0.41462 3.35821
65 5MPT SAH 0.04029 0.41167 3.35821
66 4DPL NAP 0.01291 0.41123 3.35821
67 5THY SAH 0.03975 0.40688 3.35821
68 2GV8 FAD 0.01161 0.40514 3.35821
69 3L4S NAD 0.01818 0.40093 3.35821
70 3ICT ADP 0.007448 0.46357 3.73134
71 1CER NAD 0.005486 0.43451 3.73134
72 2UYQ SAM 0.04429 0.43391 3.73134
73 3EVG SAH 0.01816 0.42925 3.73134
74 2P41 SAH 0.03623 0.41402 3.73134
75 3S5W FAD 0.01819 0.40286 3.73134
76 1BXK NAD 0.000006451 0.55607 4.10448
77 2AF6 BRU 0.009204 0.47401 4.10448
78 1P77 ATR 0.02428 0.44724 4.10448
79 1V59 NAD 0.0186 0.44191 4.10448
80 5LD5 NAD 0.006917 0.43804 4.10448
81 4NZ6 DLY 0.04114 0.42959 4.10448
82 1PZG A3D 0.001839 0.43067 4.22961
83 3WMX NAD 0.0000113 0.55416 4.47761
84 3VPH NAD 0.001123 0.44851 4.47761
85 5KKA 6V0 0.001933 0.44132 4.47761
86 3VPH OXM 0.002147 0.43243 4.47761
87 5U5G NAP 0.005882 0.42818 4.47761
88 1N7G GDR 0.0002522 0.42755 4.47761
89 3HQP OXL 0.04869 0.42066 4.47761
90 1J49 NAD 0.02335 0.40216 4.47761
91 1VQW FAD 0.01428 0.40338 4.59519
92 2C5A NAD 0.00002198 0.4653 4.85075
93 2C5A GDC 0.00002198 0.4653 4.85075
94 1WDK NAD 0.003739 0.45055 4.85075
95 3ABI NAD 0.002147 0.44448 4.85075
96 4TXI FAD 0.006643 0.41912 4.85075
97 4K28 NAD 0.01498 0.41733 4.85075
98 3O7W SAM 0.04641 0.41694 4.85075
99 2BRY FAD 0.008191 0.41327 4.85075
100 4R5M NAP 0.0221 0.4032 4.85075
101 1LSS NAD 0.004342 0.45374 5
102 4PVD NDP 0.000000978 0.60147 5.22388
103 2PK3 A2R 0.00005504 0.55041 5.22388
104 2Q1W NAD 0.000007299 0.53769 5.22388
105 1WMA NDP 0.00001011 0.49953 5.22388
106 1WMA AB3 0.00001011 0.49953 5.22388
107 3V1Y NAD 0.002336 0.45105 5.22388
108 5AHO TLA 0.01319 0.44814 5.22388
109 1MUU NAD 0.0155 0.41665 5.22388
110 1P31 EPU 0.04747 0.40802 5.22388
111 2DBZ NAP 0.004536 0.43307 5.38922
112 3WV8 ATP 0.008871 0.44174 5.50459
113 5L95 AMP 0.004233 0.45759 5.59701
114 3GFB NAD 0.003544 0.4403 5.59701
115 5JJR SAH 0.04453 0.40945 5.59701
116 4ZRN NAD 0.0000007312 0.57414 5.97015
117 1RPN NDP 0.00004675 0.49527 5.97015
118 4ZRN UPG 0.00001425 0.48099 5.97015
119 1GUZ NAD 0.001494 0.45393 5.97015
120 5JAQ NAI 0.0004243 0.45044 5.97015
121 1BW9 NAD 0.007643 0.43885 5.97015
122 1C1X NAD 0.008955 0.425 5.97015
123 1L7E NAI 0.0118 0.42455 5.97015
124 1LUA NAP 0.02185 0.41963 5.97015
125 2I3G NAP 0.008234 0.41738 5.97015
126 2GLX NDP 0.0227 0.41138 5.97015
127 3UWV 2PG 0.03287 0.41095 5.97015
128 4HXY NDP 0.0000006505 0.58951 6.34328
129 1RKX NAD 0.000002563 0.56453 6.34328
130 2V6G NAP 0.00009838 0.49809 6.34328
131 2HK9 ATR 0.008468 0.46473 6.34328
132 2CVQ NDP 0.0009848 0.46175 6.34328
133 1WP4 NDP 0.006976 0.42737 6.34328
134 1OJ4 ANP 0.04914 0.41266 6.34328
135 5AJP UDP 0.04977 0.41237 6.34328
136 2RGJ FAD 0.01381 0.40397 6.34328
137 2HK9 NAP 0.0299 0.40148 6.34328
138 2CVZ NDP 0.03165 0.40037 6.34328
139 1XPJ TLA 0.004964 0.51265 6.34921
140 4YMH SAH 0.04859 0.40257 6.66667
141 3LU1 NAD 0.000001733 0.57612 6.71642
142 1X14 NAD 0.004758 0.46214 6.71642
143 3OJO NAD 0.005116 0.44417 6.71642
144 4CJX NAP 0.006949 0.4325 6.71642
145 1U8X NAD 0.006487 0.43126 6.71642
146 3EF0 ALF 0.04435 0.42902 6.71642
147 1ZQ9 SAM 0.02063 0.42645 6.71642
148 3KLJ FAD 0.008584 0.41244 6.75325
149 1OC2 TDX 0.00003581 0.45422 7.08955
150 1OC2 NAD 0.00003581 0.45422 7.08955
151 1EZ4 NAD 0.003989 0.44069 7.08955
152 1KYQ NAD 0.01271 0.44028 7.08955
153 3OA2 NAD 0.003126 0.44007 7.08955
154 1DJN ADP 0.01799 0.41852 7.08955
155 1O94 ADP 0.02027 0.41367 7.08955
156 2DT5 NAD 0.001792 0.45051 7.109
157 4JK3 NAD 0.006099 0.43246 7.33591
158 2HJR APR 0.0005175 0.4907 7.46269
159 4U7W NDP 0.0000002303 0.62391 7.83582
160 1TZD ADP 0.03591 0.44152 7.83582
161 2D2I NAP 0.02694 0.41025 8.1579
162 4BVA NDP 0.01774 0.40332 8.20895
163 3LKZ SFG 0.04467 0.40682 8.58209
164 1DCP HBI 0.04873 0.42248 8.65385
165 2X6T NAP 0.000007619 0.54875 8.95522
166 1EQ2 NAP 0.00001061 0.54264 8.95522
167 4EUE NAI 0.0001786 0.4841 9.32836
168 2PV7 NAD 0.002462 0.44724 9.32836
169 1D1T NAD 0.01909 0.40006 9.32836
170 1VM6 NAD 0.01651 0.4154 9.64912
171 1EK6 NAI 0.00001319 0.47244 9.70149
172 1EK6 UPG 0.00001112 0.4702 9.70149
173 1E5Q NDP 0.003803 0.43638 10.0746
174 4GKV NAD 0.008153 0.41135 10.0746
175 2GCG NDP 0.02449 0.40126 10.4478
176 1Y1P NMN AMP PO4 0.000008338 0.57446 10.8209
177 1TI7 NAP 0.0184 0.42328 11.194
178 2VUT NAD 0.02179 0.4197 11.194
179 5GT9 NAP 0.00000005108 0.40758 11.4068
180 4R1S NAP 0.0000004267 0.61751 11.5672
181 2EXX NAP 0.001322 0.44318 11.9403
182 2C29 NAP 0.000002603 0.52062 12.6866
183 2C29 DQH 0.000005261 0.50968 12.6866
184 2VYN NAD 0.005765 0.42856 12.6866
185 2OOR NAD 0.00833 0.43707 13.2184
186 5DN9 NAD 0.004119 0.42548 14.1791
187 4D3F NAP 0.005147 0.44704 14.9254
188 4K26 NDP 0.00000011 0.62187 15.2985
189 4K26 SFF 0.0000002631 0.57112 15.2985
190 3CH6 311 0.0000001985 0.46154 15.6716
191 3CH6 NAP 0.0000001985 0.46154 15.6716
192 3QV1 NAD 0.005998 0.4354 15.8537
193 3O26 NDP 0.000000659 0.59399 16.0448
194 5L53 NAP 0.000001736 0.61202 16.4179
195 1XSE NDP 0.00000001858 0.44174 16.4179
196 5FJJ MAN 0.01661 0.42329 18.2836
197 1GZ6 NAI 0.000002083 0.56831 19.0299
198 1HDO NAP 0.00004662 0.50159 19.4175
199 1FK8 NAD 0.00000002497 0.6788 19.4553
200 2DKN NAI 0.000000005953 0.68714 20.7843
201 3WXB NDP 0.00000108 0.58028 25.3731
202 2Q46 NAP 0.000001207 0.5875 25.6917
203 4YAG NAI 0.00000005507 0.58443 29.4776
204 1N5D NDP 0.000002796 0.56295 29.4776
205 1ZBQ NAD 0.0000007133 0.58328 30.597
206 3RJ5 NAD 0.000001699 0.54421 31.4961
207 2BD0 NAP 0.00000008621 0.62122 31.9672
208 4J7U YTZ 0.000001274 0.41158 32.0896
209 4J7U NAP 0.000001274 0.41158 32.0896
210 1W8D NAP 0.00000003357 0.67953 37.0861
211 1W73 NAP 0.00000004425 0.67402 37.0861
212 1W6U NAP 0.00000004417 0.67406 39.0728
213 1W6U HXC 0.02136 0.41751 39.0728
214 4OSP NAP 0.000000002265 0.70526 39.924
215 4OSP 2V4 0.001275 0.52166 39.924
216 4FC7 NAP 0.000001084 0.41075 39.9254
217 4FC7 COA 0.000001084 0.41075 39.9254
218 1XG5 NAP 0.0000001113 0.62166 40.6716
219 4O0L NDP 0.00000001787 0.65498 40.7273
220 2B4Q NAP 0.0000001386 0.62279 41.791
221 1U7T NAD 0.00000006964 0.64669 42.1456
222 1E3W NAD 0.0000001001 0.62881 42.1456
223 1U7T TDT 0.000000009858 0.61582 42.1456
224 1E6W NAD 0.00000005527 0.63979 42.3077
225 3VZS NAP 0.00000007676 0.57163 42.8016
226 3VZS CAA 0.000002269 0.47315 42.8016
227 1IY8 NAD 0.00000004124 0.40924 43.0712
228 2JAH NDP 0.000000507 0.59405 43.3198
229 2JAP NDP 0.0000001572 0.61537 43.7247
230 3SJU NDP 0.0000001536 0.6158 44.0299
231 1H5Q NAP 0.000000005073 0.67791 44.5283
232 3A28 NAD 0.00000003391 0.64882 44.5736
233 2ZAT NAP 0.0000006502 0.59423 44.6154
234 5ITV NAI 0.000000009014 0.41982 44.7059
235 3QWI NAP 0.000000003781 0.67736 44.7761
236 3QWI CUE 0.0000000213 0.60355 44.7761
237 4FN4 NAD 0.00000003095 0.65051 44.8819
238 5EPO NAP 0.000003169 0.56496 45.4198
239 5EPO TUD 0.04739 0.41071 45.4198
240 1YXM ADE 0.0004382 0.54067 45.8955
241 1AE1 NAP 0.00000004544 0.41496 45.8955
242 1O5I NAD 0.00001429 0.57921 46.1847
243 1VL8 NAP 0.00000006008 0.62267 46.8165
244 3AY6 NAI 0.00000002647 0.61765 47.3881
245 3AY6 BGC 0.0000005831 0.52474 47.3881
246 2CFC NAD 0.00000001967 0.66472 47.6
247 1XKQ NDP 0.0000001443 0.60715 48.1343
248 1PR9 NAP 0.00000007182 0.40929 48.3607
249 3D3W NAP 0.0000001953 0.40254 48.3607
250 4NBW NAD 0.00000006636 0.6476 48.6381
251 4QED NAP 0.0000001546 0.62078 48.7903
252 4NBT NAD 0.00000002945 0.65716 49.1667
253 1GEE NAD 0.00000002161 0.65715 49.4253
Pocket No.: 3; Query (leader) PDB : 2VZ0; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2vz0.bio1) has 50 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2VZ0; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2vz0.bio1) has 48 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2VZ0; Ligand: D64; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2vz0.bio1) has 48 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2VZ0; Ligand: NAP; Similar sites found: 253
This union binding pocket(no: 6) in the query (biounit: 2vz0.bio1) has 85 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5T9F TYR 0.009083 0.40382 None
2 5T9F NAP 0.01035 0.40342 None
3 4BWL MN9 0.01889 0.45654 1.1194
4 5E8J SAH 0.04525 0.41754 1.49254
5 5D4V SAH 0.03891 0.40495 1.49254
6 5ULP KB1 0.03381 0.40332 1.49254
7 1NYT NAP 0.03364 0.40125 1.49254
8 4PIV NDP 0.000003333 0.55975 1.86567
9 4PIV 2W4 0.01582 0.43539 1.86567
10 2G5C NAD 0.007106 0.42232 1.86567
11 5F5N NAD 0.0002481 0.49443 2.23881
12 2YVJ NAI 0.01146 0.43934 2.23881
13 5JE8 NAD 0.005065 0.43873 2.23881
14 1KYZ SAH 0.01369 0.43862 2.23881
15 3I6I NDP 0.003862 0.41625 2.23881
16 3WQQ NDP 0.003266 0.41331 2.23881
17 3WQQ IB3 0.003266 0.41331 2.23881
18 3A4T SFG 0.02798 0.41187 2.23881
19 2QRK AMP 0.005509 0.41035 2.23881
20 1JQ3 AAT 0.01185 0.4067 2.23881
21 4YCA NDP 0.02488 0.40509 2.23881
22 4XQC NAD 0.004573 0.40449 2.23881
23 1XA4 COA 0.03633 0.40408 2.23881
24 3VYW SAM 0.04815 0.40277 2.23881
25 4XQC 13D 0.005169 0.40093 2.23881
26 3ORF NAD 0.00001194 0.54452 2.39044
27 2XVM SAH 0.04736 0.41646 2.51256
28 3MJE NDP 0.0000003194 0.60737 2.61194
29 2FR1 NDP 0.0000008582 0.57996 2.61194
30 1ORR NAD 0.000001694 0.56355 2.61194
31 2F1K NAP 0.002702 0.44823 2.61194
32 5CAE COA 0.00607 0.43788 2.61194
33 1HYH NAD 0.003033 0.43562 2.61194
34 3GCZ SAM 0.01933 0.42788 2.61194
35 1U1I NAD 0.003374 0.42679 2.61194
36 3B20 NAD 0.01921 0.41475 2.61194
37 1ZMD NAI 0.01832 0.41334 2.61194
38 4D79 ATP 0.03862 0.41261 2.61194
39 5CAE SIN 0.009397 0.41083 2.61194
40 1E3I CXF 0.007025 0.41003 2.61194
41 1GQ2 NAP 0.01654 0.40869 2.61194
42 4TTB FMN 0.03886 0.41521 2.64151
43 5E5U MLI 0.03804 0.42656 2.65152
44 2EV9 SKM 0.01266 0.40749 2.6616
45 2EV9 NAP 0.01266 0.40749 2.6616
46 2DC1 NAD 0.003008 0.44342 2.9661
47 5MDH NAD 0.0004414 0.47999 2.98507
48 4MDH NAD 0.0008371 0.4678 2.98507
49 1KEW TYD 0.00003905 0.46393 2.98507
50 1KEW NAD 0.00004723 0.45894 2.98507
51 3KB6 NAD 0.003528 0.44038 2.98507
52 3G2O SAM 0.01626 0.43168 2.98507
53 5H81 NAP 0.01296 0.42791 2.98507
54 1F8G NAD 0.01491 0.42499 2.98507
55 1X87 NAD 0.01598 0.42096 2.98507
56 3L9W AMP 0.007548 0.41897 2.98507
57 1OMO NAD 0.01873 0.41526 2.98507
58 3L9W GSH 0.01605 0.40926 2.98507
59 2VT3 ATP 0.003677 0.48022 3.25581
60 3A4V NAD 0.000007777 0.52576 3.35821
61 3A4V PYR 0.000007777 0.52576 3.35821
62 1MV8 NAD 0.008825 0.42529 3.35821
63 2VHW NAI 0.003485 0.42198 3.35821
64 1NVM NAD 0.009574 0.41462 3.35821
65 5MPT SAH 0.04029 0.41167 3.35821
66 4DPL NAP 0.01291 0.41123 3.35821
67 5THY SAH 0.03975 0.40688 3.35821
68 2GV8 FAD 0.01161 0.40514 3.35821
69 3L4S NAD 0.01818 0.40093 3.35821
70 3ICT ADP 0.007448 0.46357 3.73134
71 1CER NAD 0.005486 0.43451 3.73134
72 2UYQ SAM 0.04429 0.43391 3.73134
73 3EVG SAH 0.01816 0.42925 3.73134
74 2P41 SAH 0.03623 0.41402 3.73134
75 3S5W FAD 0.01819 0.40286 3.73134
76 1BXK NAD 0.000006451 0.55607 4.10448
77 2AF6 BRU 0.009204 0.47401 4.10448
78 1P77 ATR 0.02428 0.44724 4.10448
79 1V59 NAD 0.0186 0.44191 4.10448
80 5LD5 NAD 0.006917 0.43804 4.10448
81 4NZ6 DLY 0.04114 0.42959 4.10448
82 1PZG A3D 0.001839 0.43067 4.22961
83 3WMX NAD 0.0000113 0.55416 4.47761
84 3VPH NAD 0.001123 0.44851 4.47761
85 5KKA 6V0 0.001933 0.44132 4.47761
86 3VPH OXM 0.002147 0.43243 4.47761
87 5U5G NAP 0.005882 0.42818 4.47761
88 1N7G GDR 0.0002522 0.42755 4.47761
89 3HQP OXL 0.04869 0.42066 4.47761
90 1J49 NAD 0.02335 0.40216 4.47761
91 1VQW FAD 0.01428 0.40338 4.59519
92 2C5A NAD 0.00002198 0.4653 4.85075
93 2C5A GDC 0.00002198 0.4653 4.85075
94 1WDK NAD 0.003739 0.45055 4.85075
95 3ABI NAD 0.002147 0.44448 4.85075
96 4TXI FAD 0.006643 0.41912 4.85075
97 4K28 NAD 0.01498 0.41733 4.85075
98 3O7W SAM 0.04641 0.41694 4.85075
99 2BRY FAD 0.008191 0.41327 4.85075
100 4R5M NAP 0.0221 0.4032 4.85075
101 1LSS NAD 0.004342 0.45374 5
102 4PVD NDP 0.000000978 0.60147 5.22388
103 2PK3 A2R 0.00005504 0.55041 5.22388
104 2Q1W NAD 0.000007299 0.53769 5.22388
105 1WMA NDP 0.00001011 0.49953 5.22388
106 1WMA AB3 0.00001011 0.49953 5.22388
107 3V1Y NAD 0.002336 0.45105 5.22388
108 5AHO TLA 0.01319 0.44814 5.22388
109 1MUU NAD 0.0155 0.41665 5.22388
110 1P31 EPU 0.04747 0.40802 5.22388
111 2DBZ NAP 0.004536 0.43307 5.38922
112 3WV8 ATP 0.008871 0.44174 5.50459
113 5L95 AMP 0.004233 0.45759 5.59701
114 3GFB NAD 0.003544 0.4403 5.59701
115 5JJR SAH 0.04453 0.40945 5.59701
116 4ZRN NAD 0.0000007312 0.57414 5.97015
117 1RPN NDP 0.00004675 0.49527 5.97015
118 4ZRN UPG 0.00001425 0.48099 5.97015
119 1GUZ NAD 0.001494 0.45393 5.97015
120 5JAQ NAI 0.0004243 0.45044 5.97015
121 1BW9 NAD 0.007643 0.43885 5.97015
122 1C1X NAD 0.008955 0.425 5.97015
123 1L7E NAI 0.0118 0.42455 5.97015
124 1LUA NAP 0.02185 0.41963 5.97015
125 2I3G NAP 0.008234 0.41738 5.97015
126 2GLX NDP 0.0227 0.41138 5.97015
127 3UWV 2PG 0.03287 0.41095 5.97015
128 4HXY NDP 0.0000006505 0.58951 6.34328
129 1RKX NAD 0.000002563 0.56453 6.34328
130 2V6G NAP 0.00009838 0.49809 6.34328
131 2HK9 ATR 0.008468 0.46473 6.34328
132 2CVQ NDP 0.0009848 0.46175 6.34328
133 1WP4 NDP 0.006976 0.42737 6.34328
134 1OJ4 ANP 0.04914 0.41266 6.34328
135 5AJP UDP 0.04977 0.41237 6.34328
136 2RGJ FAD 0.01381 0.40397 6.34328
137 2HK9 NAP 0.0299 0.40148 6.34328
138 2CVZ NDP 0.03165 0.40037 6.34328
139 1XPJ TLA 0.004964 0.51265 6.34921
140 4YMH SAH 0.04859 0.40257 6.66667
141 3LU1 NAD 0.000001733 0.57612 6.71642
142 1X14 NAD 0.004758 0.46214 6.71642
143 3OJO NAD 0.005116 0.44417 6.71642
144 4CJX NAP 0.006949 0.4325 6.71642
145 1U8X NAD 0.006487 0.43126 6.71642
146 3EF0 ALF 0.04435 0.42902 6.71642
147 1ZQ9 SAM 0.02063 0.42645 6.71642
148 3KLJ FAD 0.008584 0.41244 6.75325
149 1OC2 TDX 0.00003581 0.45422 7.08955
150 1OC2 NAD 0.00003581 0.45422 7.08955
151 1EZ4 NAD 0.003989 0.44069 7.08955
152 1KYQ NAD 0.01271 0.44028 7.08955
153 3OA2 NAD 0.003126 0.44007 7.08955
154 1DJN ADP 0.01799 0.41852 7.08955
155 1O94 ADP 0.02027 0.41367 7.08955
156 2DT5 NAD 0.001792 0.45051 7.109
157 4JK3 NAD 0.006099 0.43246 7.33591
158 2HJR APR 0.0005175 0.4907 7.46269
159 4U7W NDP 0.0000002303 0.62391 7.83582
160 1TZD ADP 0.03591 0.44152 7.83582
161 2D2I NAP 0.02694 0.41025 8.1579
162 4BVA NDP 0.01774 0.40332 8.20895
163 3LKZ SFG 0.04467 0.40682 8.58209
164 1DCP HBI 0.04873 0.42248 8.65385
165 2X6T NAP 0.000007619 0.54875 8.95522
166 1EQ2 NAP 0.00001061 0.54264 8.95522
167 4EUE NAI 0.0001786 0.4841 9.32836
168 2PV7 NAD 0.002462 0.44724 9.32836
169 1D1T NAD 0.01909 0.40006 9.32836
170 1VM6 NAD 0.01651 0.4154 9.64912
171 1EK6 NAI 0.00001319 0.47244 9.70149
172 1EK6 UPG 0.00001112 0.4702 9.70149
173 1E5Q NDP 0.003803 0.43638 10.0746
174 4GKV NAD 0.008153 0.41135 10.0746
175 2GCG NDP 0.02449 0.40126 10.4478
176 1Y1P NMN AMP PO4 0.000008338 0.57446 10.8209
177 1TI7 NAP 0.0184 0.42328 11.194
178 2VUT NAD 0.02179 0.4197 11.194
179 5GT9 NAP 0.00000005108 0.40758 11.4068
180 4R1S NAP 0.0000004267 0.61751 11.5672
181 2EXX NAP 0.001322 0.44318 11.9403
182 2C29 NAP 0.000002603 0.52062 12.6866
183 2C29 DQH 0.000005261 0.50968 12.6866
184 2VYN NAD 0.005765 0.42856 12.6866
185 2OOR NAD 0.00833 0.43707 13.2184
186 5DN9 NAD 0.004119 0.42548 14.1791
187 4D3F NAP 0.005147 0.44704 14.9254
188 4K26 NDP 0.00000011 0.62187 15.2985
189 4K26 SFF 0.0000002631 0.57112 15.2985
190 3CH6 311 0.0000001985 0.46154 15.6716
191 3CH6 NAP 0.0000001985 0.46154 15.6716
192 3QV1 NAD 0.005998 0.4354 15.8537
193 3O26 NDP 0.000000659 0.59399 16.0448
194 5L53 NAP 0.000001736 0.61202 16.4179
195 1XSE NDP 0.00000001858 0.44174 16.4179
196 5FJJ MAN 0.01661 0.42329 18.2836
197 1GZ6 NAI 0.000002083 0.56831 19.0299
198 1HDO NAP 0.00004662 0.50159 19.4175
199 1FK8 NAD 0.00000002497 0.6788 19.4553
200 2DKN NAI 0.000000005953 0.68714 20.7843
201 3WXB NDP 0.00000108 0.58028 25.3731
202 2Q46 NAP 0.000001207 0.5875 25.6917
203 4YAG NAI 0.00000005507 0.58443 29.4776
204 1N5D NDP 0.000002796 0.56295 29.4776
205 1ZBQ NAD 0.0000007133 0.58328 30.597
206 3RJ5 NAD 0.000001699 0.54421 31.4961
207 2BD0 NAP 0.00000008621 0.62122 31.9672
208 4J7U YTZ 0.000001274 0.41158 32.0896
209 4J7U NAP 0.000001274 0.41158 32.0896
210 1W8D NAP 0.00000003357 0.67953 37.0861
211 1W73 NAP 0.00000004425 0.67402 37.0861
212 1W6U NAP 0.00000004417 0.67406 39.0728
213 1W6U HXC 0.02136 0.41751 39.0728
214 4OSP NAP 0.000000002265 0.70526 39.924
215 4OSP 2V4 0.001275 0.52166 39.924
216 4FC7 NAP 0.000001084 0.41075 39.9254
217 4FC7 COA 0.000001084 0.41075 39.9254
218 1XG5 NAP 0.0000001113 0.62166 40.6716
219 4O0L NDP 0.00000001787 0.65498 40.7273
220 2B4Q NAP 0.0000001386 0.62279 41.791
221 1U7T NAD 0.00000006964 0.64669 42.1456
222 1E3W NAD 0.0000001001 0.62881 42.1456
223 1U7T TDT 0.000000009858 0.61582 42.1456
224 1E6W NAD 0.00000005527 0.63979 42.3077
225 3VZS NAP 0.00000007676 0.57163 42.8016
226 3VZS CAA 0.000002269 0.47315 42.8016
227 1IY8 NAD 0.00000004124 0.40924 43.0712
228 2JAH NDP 0.000000507 0.59405 43.3198
229 2JAP NDP 0.0000001572 0.61537 43.7247
230 3SJU NDP 0.0000001536 0.6158 44.0299
231 1H5Q NAP 0.000000005073 0.67791 44.5283
232 3A28 NAD 0.00000003391 0.64882 44.5736
233 2ZAT NAP 0.0000006502 0.59423 44.6154
234 5ITV NAI 0.000000009014 0.41982 44.7059
235 3QWI NAP 0.000000003781 0.67736 44.7761
236 3QWI CUE 0.0000000213 0.60355 44.7761
237 4FN4 NAD 0.00000003095 0.65051 44.8819
238 5EPO NAP 0.000003169 0.56496 45.4198
239 5EPO TUD 0.04739 0.41071 45.4198
240 1YXM ADE 0.0004382 0.54067 45.8955
241 1AE1 NAP 0.00000004544 0.41496 45.8955
242 1O5I NAD 0.00001429 0.57921 46.1847
243 1VL8 NAP 0.00000006008 0.62267 46.8165
244 3AY6 NAI 0.00000002647 0.61765 47.3881
245 3AY6 BGC 0.0000005831 0.52474 47.3881
246 2CFC NAD 0.00000001967 0.66472 47.6
247 1XKQ NDP 0.0000001443 0.60715 48.1343
248 1PR9 NAP 0.00000007182 0.40929 48.3607
249 3D3W NAP 0.0000001953 0.40254 48.3607
250 4NBW NAD 0.00000006636 0.6476 48.6381
251 4QED NAP 0.0000001546 0.62078 48.7903
252 4NBT NAD 0.00000002945 0.65716 49.1667
253 1GEE NAD 0.00000002161 0.65715 49.4253
Pocket No.: 7; Query (leader) PDB : 2VZ0; Ligand: D64; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 2vz0.bio1) has 49 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 2VZ0; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 2vz0.bio1) has 49 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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