Receptor
PDB id Resolution Class Description Source Keywords
1MXH 2.2 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF SUBSTRATE COMPLEX OF PUTATIVE PTERIDINE REDUCTASE 2 (PTR2) FROM TRYPANOSOMA CRUZI TRYPANOSOMA CRUZI SDR TOPOLOGY PROTEIN-SUBSTRATE COMPLEX OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF TRYPANOSOMA CRUZI PTERIDINE REDUCTASE 2 IN COMPLEX WITH A SUBSTRATE AND AN INHIBITOR. J.STRUCT.BIOL. V. 152 64 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DHF A:1278;
B:2278;
C:3278;
D:4278;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
443.413 C19 H21 N7 O6 c1cc(...
NAP A:1277;
B:2277;
C:3277;
D:4277;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1MXH 2.2 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF SUBSTRATE COMPLEX OF PUTATIVE PTERIDINE REDUCTASE 2 (PTR2) FROM TRYPANOSOMA CRUZI TRYPANOSOMA CRUZI SDR TOPOLOGY PROTEIN-SUBSTRATE COMPLEX OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF TRYPANOSOMA CRUZI PTERIDINE REDUCTASE 2 IN COMPLEX WITH A SUBSTRATE AND AN INHIBITOR. J.STRUCT.BIOL. V. 152 64 2005
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 1MXH - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1MXF - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
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: DHF; Similar ligands found: 24
No: Ligand ECFP6 Tc MDL keys Tc
1 DHF 1 1
2 DZF 0.544554 0.848485
3 FON 0.523364 0.926471
4 FOL 0.514563 0.863636
5 TLL 0.495575 0.863014
6 29D 0.468468 0.838235
7 28Z 0.468468 0.838235
8 29C 0.468468 0.838235
9 1YJ 0.462963 1
10 THG 0.462963 1
11 9L9 0.459184 0.892308
12 MHF 0.455357 0.84
13 3TZ 0.455357 0.774648
14 THF 0.454545 0.873239
15 C2F 0.454545 0.887324
16 DDF 0.453704 0.910448
17 21V 0.453704 0.910448
18 FFO 0.45045 0.926471
19 83A 0.440367 0.826087
20 LYA 0.438095 0.782609
21 04J 0.424528 0.815385
22 TMF 0.412281 0.824324
23 3YA 0.405405 0.712329
24 CB3 0.403509 0.785714
Ligand no: 2; Ligand: NAP; Similar ligands found: 127
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NAD IBO 0.688 0.921053
10 NHD 0.68254 0.958904
11 NJP 0.661417 0.972973
12 NAJ PYZ 0.659091 0.898734
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 NXX 0.619048 0.959459
16 ZID 0.605839 0.972603
17 NAQ 0.59854 0.922078
18 ATR 0.59292 0.917808
19 NAE 0.591241 0.946667
20 NDE 0.58042 0.986301
21 A22 0.571429 0.958904
22 AMP NAD 0.571429 0.933333
23 NAJ 0.567164 0.986111
24 A2R 0.563025 0.932432
25 NDC 0.561644 0.922078
26 NA7 0.552846 0.907895
27 ODP 0.551471 0.935065
28 A2P 0.539823 0.930556
29 8ID 0.537313 0.910256
30 NAD BBN 0.525974 0.865854
31 NPW 0.525547 0.8875
32 CNA 0.521739 0.959459
33 NZQ 0.521739 0.910256
34 NAD CJ3 0.519231 0.835294
35 NDP 0.514493 0.922078
36 PO4 PO4 A A A A PO4 0.503937 0.930556
37 DG1 0.503401 0.922078
38 1DG 0.503401 0.922078
39 NAD TDB 0.5 0.696078
40 TXP 0.5 0.922078
41 NMN AMP PO4 0.492958 0.921053
42 XNP 0.492958 0.875
43 25L 0.492308 0.958904
44 25A 0.492063 0.972222
45 NAD NDT 0.490909 0.747368
46 NMN 0.486726 0.888889
47 NGD 0.485714 0.935065
48 2AM 0.477876 0.891892
49 ADP 0.458333 0.945205
50 PAP 0.451613 0.931507
51 ADP MG 0.45082 0.906667
52 BEF ADP 0.447154 0.883117
53 ADP BEF 0.447154 0.883117
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 ADP PO3 0.44 0.944444
57 SAP 0.44 0.896104
58 AGS 0.44 0.896104
59 M33 0.439024 0.906667
60 AR6 AR6 0.438849 0.945205
61 BA3 0.438017 0.945205
62 ATP MG 0.436508 0.906667
63 ADP BMA 0.43609 0.92
64 OAD 0.43609 0.92
65 ATP 0.435484 0.945205
66 OOB 0.435115 0.958904
67 B4P 0.434426 0.945205
68 AP5 0.434426 0.945205
69 GAP 0.433071 0.92
70 0WD 0.432432 0.922078
71 5FA 0.432 0.945205
72 2A5 0.432 0.87013
73 AQP 0.432 0.945205
74 00A 0.428571 0.909091
75 CA0 0.427419 0.92
76 ALF ADP 0.426357 0.871795
77 ADP ALF 0.426357 0.871795
78 ACP 0.424 0.92
79 NAJ PZO 0.423841 0.897436
80 9SN 0.423358 0.897436
81 VO4 ADP 0.423077 0.932432
82 ANP MG 0.423077 0.896104
83 ADP VO4 0.423077 0.932432
84 WAQ 0.422222 0.884615
85 ACQ 0.421875 0.92
86 V3L 0.421875 0.945205
87 ADQ 0.421053 0.92
88 AR6 0.420635 0.918919
89 APR 0.420635 0.918919
90 ATP A A A 0.42029 0.958333
91 CO7 0.419753 0.786517
92 1ZZ 0.419118 0.841463
93 3OD 0.419118 0.92
94 DLL 0.41791 0.958904
95 AD9 0.417323 0.92
96 NAX 0.416667 0.875
97 OVE 0.416667 0.857143
98 MYR AMP 0.416058 0.841463
99 AV2 0.415385 0.868421
100 A3P 0.414634 0.944444
101 NNR 0.414414 0.72973
102 ALF ADP 3PG 0.413793 0.8625
103 OMR 0.413793 0.831325
104 LA8 ALF 3PG 0.413793 0.8625
105 ANP 0.410853 0.92
106 A1R 0.410448 0.860759
107 ABM 0.409836 0.893333
108 AMP 0.408333 0.944444
109 A 0.408333 0.944444
110 SON 0.408 0.933333
111 PPS 0.407692 0.829268
112 5AL 0.407692 0.932432
113 TYR AMP 0.407143 0.933333
114 NAI 0.406897 0.909091
115 7D3 0.406504 0.857143
116 DAL AMP 0.406015 0.932432
117 ADX 0.404762 0.829268
118 ATF 0.40458 0.907895
119 3UK 0.404412 0.945946
120 AMP DBH 0.404255 0.894737
121 139 0.402685 0.875
122 AMP MG 0.401639 0.893333
123 50T 0.401575 0.906667
124 SRP 0.401515 0.907895
125 A A 0.40146 0.972222
126 FA5 0.4 0.933333
127 3AM 0.4 0.90411
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1MXH; Ligand: NAP; 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: 1mxh.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1MXH; Ligand: NAP; Similar sites found: 315
This union binding pocket(no: 2) in the query (biounit: 1mxh.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DA3 58V 0.01982 0.42065 0.754717
2 3GU3 SAH 0.03863 0.40544 1.08696
3 4CJX NAP 0.002853 0.42348 1.44928
4 2GZ3 NAP 0.002109 0.40799 1.44928
5 1SC6 NAD 0.004136 0.40169 1.44928
6 5ULP KB1 0.009616 0.40402 1.49254
7 2DC1 NAD 0.007376 0.40125 1.69492
8 1WVG APR 0.00002862 0.50668 1.81159
9 3B1F NAD 0.0001336 0.49107 1.81159
10 2YY7 NAD 0.00000499 0.46758 1.81159
11 3TTM PUT 0.004363 0.45997 1.81159
12 2F1K NAP 0.0007654 0.44403 1.81159
13 2DFV NAD 0.00128 0.43191 1.81159
14 4NFN 2KC 0.01593 0.41465 1.81159
15 1N7G GDR 0.00002318 0.41193 1.81159
16 3ORF NAD 0.000006069 0.52102 1.99203
17 1ZGA SAH 0.005381 0.44153 2.17391
18 1GV0 NAD 0.000745 0.4354 2.17391
19 1U8X NAD 0.001941 0.42748 2.17391
20 3GFB NAD 0.001867 0.42531 2.17391
21 3TTN SPD 0.03359 0.41701 2.17391
22 2G5C NAD 0.002405 0.41556 2.17391
23 3SQP FAD 0.01766 0.41474 2.17391
24 3GGO ENO 0.00118 0.41126 2.17391
25 1UXG NAD 0.001015 0.41022 2.17391
26 3LST SAH 0.02481 0.40849 2.17391
27 2X1L ADN 0.02976 0.40453 2.17391
28 3ZF8 GDP 0.0436 0.40267 2.17391
29 3B20 NAD 0.01174 0.40034 2.17391
30 3W9F I3P 0.0258 0.41848 2.30769
31 2VDV SAM 0.02174 0.41136 2.43902
32 4TQG NDP 0.0000001137 0.58939 2.53623
33 2C29 NAP 0.0000007473 0.49251 2.53623
34 2C29 DQH 0.000001521 0.48333 2.53623
35 1V6A TRE 0.004113 0.4675 2.53623
36 9LDB NAD 0.0005571 0.4374 2.53623
37 3V1Y NAD 0.001138 0.43697 2.53623
38 1WP4 NDP 0.001592 0.42809 2.53623
39 2PV7 NAD 0.002153 0.42281 2.53623
40 1VJT NAD 0.006885 0.42201 2.53623
41 1E5Q NDP 0.002849 0.41526 2.53623
42 1LDM NAD 0.002898 0.41241 2.53623
43 3SSO SAH 0.01138 0.40907 2.53623
44 1GQ2 NAP 0.006821 0.40022 2.53623
45 2AJH MET 0.02101 0.43178 2.55102
46 5CAE COA 0.005406 0.41465 2.55591
47 3DUW SAH 0.00959 0.41543 2.69058
48 3MJE NDP 0.000000196 0.50651 2.82258
49 2CDU ADP 0.004615 0.43703 2.89855
50 3G2O SAM 0.004921 0.43211 2.89855
51 1OMO NAD 0.006272 0.41191 2.89855
52 3MB5 SAM 0.006371 0.41442 3.13725
53 1Y1P NMN AMP PO4 0.000001129 0.57619 3.26087
54 1RKX NAD 0.0000007247 0.54802 3.26087
55 4PIV NDP 0.0000003559 0.50244 3.26087
56 4XH0 ADP 0.01746 0.43248 3.26087
57 2B4R NAD 0.00164 0.41942 3.26087
58 3OA2 NAD 0.003838 0.41013 3.26087
59 5JJR SAH 0.01474 0.40986 3.26087
60 2B4R AES 0.003444 0.40948 3.26087
61 1PZG A3D 0.001384 0.40776 3.26087
62 1ZMD NAI 0.007149 0.40683 3.26087
63 1HDO NAP 0.00008557 0.45894 3.39806
64 3CBG SAH 0.01402 0.41404 3.44828
65 4Z4P SAH 0.005607 0.43672 3.61446
66 3H8V ATP 0.001815 0.45227 3.62319
67 3BAZ NAP 0.002932 0.42298 3.62319
68 1CER NAD 0.00266 0.42188 3.62319
69 1I0Z NAI 0.001811 0.42037 3.62319
70 2BH9 NAP 0.01716 0.41308 3.62319
71 2IXB NAD 0.002483 0.41251 3.62319
72 1H16 PYR 0.04055 0.41109 3.62319
73 3VPD CIT 0.01099 0.40907 3.62319
74 3L9W AMP 0.004371 0.40307 3.62319
75 1O0S NAI 0.01314 0.4008 3.62319
76 3RGG AIR 0.03913 0.40515 3.77358
77 2DT5 NAD 0.0008773 0.43552 3.79147
78 1JG3 ADN 0.01729 0.40662 3.82979
79 1O9W NAG 0.04171 0.41308 3.9548
80 4PVD NDP 0.0000002444 0.48847 3.98551
81 5MSO NAP 0.000001253 0.46873 3.98551
82 1LTH NAD 0.0005764 0.45586 3.98551
83 3OJO NAD 0.002881 0.42931 3.98551
84 1SQF SAM 0.01444 0.41029 3.98551
85 2VUT NAD 0.01796 0.40014 3.98551
86 1SW1 PBE 0.03129 0.41947 4
87 1P77 ATR 0.01149 0.44187 4.04412
88 4GLL NAD 0.0000002747 0.51044 4.34783
89 3A4V NAD 0.000003499 0.50228 4.34783
90 3A4V PYR 0.000003499 0.50228 4.34783
91 4BWL MN9 0.01113 0.44562 4.34783
92 2CVQ NDP 0.001008 0.43314 4.34783
93 3LTW HLZ 0.02122 0.42571 4.34783
94 1F8G NAD 0.004315 0.42479 4.34783
95 1MV8 NAD 0.002299 0.42447 4.34783
96 2WPB ZZI 0.02746 0.42113 4.34783
97 1A99 PUT 0.02473 0.41879 4.34783
98 2P41 SAH 0.009587 0.4186 4.34783
99 1L7E NAI 0.004984 0.41615 4.34783
100 1DJN ADP 0.006205 0.41492 4.34783
101 1MUU NAD 0.006072 0.4098 4.34783
102 1O94 ADP 0.007573 0.40843 4.34783
103 3EVG SAH 0.004943 0.43202 4.36364
104 2PZM UDP 0.000003458 0.5025 4.71014
105 2PZM NAD 0.000003458 0.5025 4.71014
106 1I2B NAD 0.00000461 0.43501 4.71014
107 1EZ4 NAD 0.001466 0.43247 4.71014
108 1HYH NAD 0.001135 0.42554 4.71014
109 1X87 NAD 0.005429 0.41743 4.71014
110 2UYQ SAM 0.04033 0.41246 4.71014
111 1I2B USQ 0.01241 0.41199 4.71014
112 1I2B UPG 0.01241 0.41199 4.71014
113 3A4T SFG 0.01374 0.40262 4.74453
114 4YMH SAH 0.01683 0.40142 5
115 2X6T NAP 0.0000006102 0.55562 5.07246
116 1EQ2 NAP 0.000001381 0.5418 5.07246
117 2Q1S NAI 0.000009924 0.48639 5.07246
118 3VPH NAD 0.0005718 0.4314 5.07246
119 2A92 NAI 0.0007964 0.42871 5.07246
120 5JE8 NAD 0.002408 0.42654 5.07246
121 5LD5 NAD 0.005128 0.4185 5.07246
122 1HKU NAD 0.00181 0.41778 5.07246
123 5H81 NAP 0.006466 0.41706 5.07246
124 3VPH OXM 0.001076 0.41626 5.07246
125 5MPT SAH 0.01859 0.40514 5.07246
126 1DXY NAD 0.007665 0.40303 5.07246
127 2FR1 NDP 0.0000006395 0.54552 5.43478
128 1SOW NAD 0.0006391 0.43232 5.43478
129 3KB6 NAD 0.002649 0.41918 5.43478
130 3TLJ SAH 0.00937 0.40996 5.43478
131 4DPL NAP 0.004745 0.40405 5.43478
132 1R18 SAH 0.01489 0.40108 5.43478
133 2NU8 COA 0.008591 0.40099 5.43478
134 2Q46 NAP 0.0000001108 0.58983 5.5336
135 2Q1W NAD 0.0000004418 0.55158 5.7971
136 1UDB NAD 0.000002115 0.45106 5.7971
137 2C5A GDC 0.000003142 0.44002 5.7971
138 2C5A NAD 0.000003142 0.44002 5.7971
139 5JAQ NAI 0.0002947 0.42997 5.7971
140 1O6Z NAD 0.002683 0.42756 5.7971
141 1ZQ9 SAM 0.01058 0.41659 5.7971
142 1X7D NAD 0.004825 0.40619 5.7971
143 1BXK NAD 0.000001378 0.54651 6.15942
144 3ABI NAD 0.001565 0.42284 6.30137
145 1RPN NDP 0.000007715 0.49008 6.52174
146 1EK6 NAI 0.000006495 0.43137 6.52174
147 1EK6 UPG 0.000003933 0.42979 6.52174
148 1LVL NAD 0.01615 0.40223 6.52174
149 2J73 GLC GLC GLC GLC 0.0459 0.40469 6.79612
150 1A5Z NAD 0.0001562 0.48809 6.88406
151 4KOA NDP 0.003597 0.44217 6.88406
152 2IZ1 ATR 0.01267 0.43857 6.88406
153 1DSS NAD 0.001243 0.4385 6.88406
154 2EXX NAP 0.000422 0.43358 6.88406
155 4KRG SAH 0.01594 0.41138 6.88406
156 1NYT NAP 0.008087 0.4046 7.01107
157 1J5P NAD 0.00503 0.40796 7.11462
158 4HXY NDP 0.0000003299 0.56112 7.24638
159 3RFV NAI 0.000001749 0.54717 7.24638
160 3RFV 15L 0.00002912 0.50212 7.24638
161 1V59 NAD 0.007716 0.43775 7.24638
162 1WDK NAD 0.00256 0.43153 7.24638
163 3QX9 ATP 0.02791 0.42168 7.24638
164 4JK3 NAD 0.00392 0.41498 7.33591
165 4ZRN NAD 0.0000001855 0.55643 7.6087
166 4ZRN UPG 0.000002013 0.45791 7.6087
167 4N49 SAM 0.01537 0.40319 7.6087
168 2HK9 ATR 0.00408 0.45635 7.63636
169 2HK9 NAP 0.00828 0.40165 7.63636
170 2HMT NAI 0.001483 0.44518 7.63889
171 1LSS NAD 0.001513 0.44834 7.85714
172 4U7W NDP 0.00000001797 0.52863 7.97101
173 1E7S NAP 0.0000005123 0.50241 8.33333
174 2Y6Q FAD 0.002365 0.41086 8.33333
175 3LKZ SFG 0.01435 0.40741 8.33333
176 1NVM NAD 0.003854 0.40517 8.33333
177 1KYQ NAD 0.009744 0.42158 8.39416
178 3LU1 NAD 0.0000005702 0.55676 9.05797
179 1V35 NAI 0.0000245 0.45409 9.05797
180 1X14 NAD 0.002238 0.45196 9.42029
181 2OOR NAD 0.004382 0.42449 9.77011
182 1Z45 NAD 0.000000411 0.5623 9.78261
183 1R6D NAD 0.000005986 0.50487 9.78261
184 1R6D DAU 0.00001296 0.49163 9.78261
185 4EUE NAI 0.00008662 0.46508 9.78261
186 1FP1 SAH 0.004475 0.44148 9.78261
187 2YVJ NAI 0.00689 0.42529 10.0917
188 3H9E NAD 0.00343 0.41735 10.1449
189 1U1I NAD 0.002139 0.40777 10.1449
190 1SB8 NAD 0.000004434 0.45406 10.5072
191 1SB8 UD2 0.000002506 0.44652 10.5072
192 4RQU NAD 0.001987 0.42146 10.5072
193 1EJ0 SAM 0.02062 0.40303 10.5556
194 1OGX EQU 0.009907 0.42837 10.687
195 1ORR NAD 0.0000002491 0.55629 10.8696
196 4J1Q NDP 0.0000009521 0.47745 10.8696
197 5MDH NAD 0.0003496 0.45459 10.8696
198 4MDH NAD 0.000887 0.43832 10.8696
199 1C1X NAD 0.003936 0.41491 10.8696
200 1BW9 NAD 0.003724 0.4276 11.2319
201 1HYE NAP 0.01272 0.40142 11.2319
202 3KO8 NAD 0.0000001185 0.57315 11.5942
203 1KYZ SAH 0.002336 0.44718 11.5942
204 1OC2 TDX 0.000006811 0.42916 11.5942
205 1OC2 NAD 0.000006811 0.42916 11.5942
206 2I3G NAP 0.00475 0.40169 11.5942
207 2BKA NDP 0.00005701 0.48252 11.9835
208 2VYN NAD 0.00172 0.42395 12.3188
209 3RJ5 NAD 0.0000009619 0.51455 12.5984
210 2NVK NAP 0.03997 0.41212 12.6812
211 1GY8 NAD 0.0000007493 0.54746 13.0435
212 3O26 NDP 0.0000003198 0.4992 14.8551
213 4Q9N NAI 0.000008031 0.50798 15.5797
214 1PL6 NAD 0.000498 0.46994 15.5797
215 1PL6 572 0.00206 0.41313 15.5797
216 3CH6 NAP 0.0000002022 0.56645 15.942
217 1GZ6 NAI 0.000001692 0.5339 15.942
218 3CH6 311 0.0000002022 0.45031 15.942
219 1KEW TYD 0.00001948 0.43028 15.942
220 1KEW NAD 0.0000195 0.42696 15.942
221 4OHU NAD 0.00002134 0.41418 15.942
222 4OHU 2TK 0.00002134 0.41418 15.942
223 4K26 NDP 0.00000002566 0.60363 16.3043
224 1ZBQ NAD 0.0000005043 0.54941 16.3043
225 4K26 SFF 0.0000001051 0.54191 16.3043
226 1N5D NDP 0.000001337 0.53782 16.3043
227 5L53 NAP 0.0000008064 0.45293 16.6667
228 5L4S NAP 0.0000004994 0.52086 17.3913
229 5L4S 6KX 0.0000004994 0.52086 17.3913
230 1WMA NDP 0.000007272 0.46252 17.3913
231 1WMA AB3 0.000007272 0.46252 17.3913
232 1FK8 NAD 0.0000000353 0.62774 17.8988
233 3LQV ADE 0.01516 0.41524 17.9487
234 1XSE NDP 0.000000004823 0.58033 18.8406
235 5E8J SAH 0.01457 0.42003 19.9275
236 2PD4 DCN 0.00002264 0.47673 20
237 2PD4 NAD 0.00002693 0.47401 20
238 2DKN NAI 0.000000003132 0.65113 20.3922
239 3OIG NAD 0.000006788 0.52347 21.4286
240 4O1M NAD 0.00003244 0.48841 22.4638
241 5IN4 NAP 0.0002127 0.49465 23.913
242 5IN4 6CK 0.0002085 0.49465 23.913
243 5IN4 GDP 0.0002186 0.49306 23.913
244 2BD0 NAP 0.00000003543 0.59294 26.8116
245 3WXB NDP 0.0000005344 0.55309 27.1739
246 4J7U NAP 0.0000005554 0.52899 31.5217
247 4J7U YTZ 0.0000005554 0.52899 31.5217
248 1Z6Z NAP 0.000003269 0.52723 31.5217
249 1A27 NAP 0.000007225 0.51382 31.5217
250 3HB5 NAP 0.00000007316 0.50153 31.5217
251 1D7O NAD 0.00001078 0.48159 32.2464
252 1NFQ NAI 0.00000001491 0.55011 32.6923
253 1OAA OAA 0.00000009737 0.52127 32.8185
254 1W8D NAP 0.000000004093 0.6739 34.4371
255 1W73 NAP 0.000000005338 0.66901 34.4371
256 1W6U NAP 0.000000005957 0.667 35.4305
257 1W6U HXC 0.01088 0.40709 35.4305
258 3OJF NDP 0.000008883 0.49137 36.2319
259 3OJF IMJ 0.0000122 0.46415 36.2319
260 2GDZ NAD 0.00000003444 0.53042 38.5768
261 1H5Q NAP 0.000000001007 0.65753 39.6226
262 2B4Q NAP 0.0000004357 0.56132 39.8551
263 4FC7 COA 0.0000001493 0.549 39.8551
264 2Q2V NAD 0.00000003722 0.54407 39.8551
265 4FC7 NAP 0.0000001493 0.52029 39.8551
266 4D42 W0I 0.00000228 0.51656 39.8551
267 4D42 NAP 0.00000228 0.51656 39.8551
268 1E3W NAD 0.00000006858 0.59259 40.2299
269 1E6W NAD 0.00000004355 0.60026 40.3846
270 3V1U NAD 0.00000001076 0.64921 40.942
271 3RKR NAP 0.0000365 0.56237 41.2214
272 3O03 NAP 0.000000004102 0.65969 41.3043
273 1U7T NAD 0.00000005987 0.60614 41.3793
274 1U7T TDT 0.00000001902 0.55525 41.3793
275 2AE2 NAP 0.00000001902 0.57694 41.5385
276 2AE2 PTO 0.00000001902 0.57694 41.5385
277 1ZEM NAD 0.00000002091 0.63075 41.6031
278 5CG1 NAD BBN 0.00005724 0.40058 42.029
279 1YXM ADE 0.000163 0.53856 42.3913
280 1X1T NAD 0.00000002371 0.59425 42.6923
281 1XHL NDP 0.0000002959 0.50983 42.7536
282 3ZV6 NAD 0.0000005513 0.50756 42.7536
283 3ZV6 4HB 0.0000006216 0.5011 42.7536
284 2WSB NAD 0.00000003484 0.5678 42.9134
285 2RH4 EMO 0.000000007587 0.54528 43.1159
286 1O5I NAD 0.00003165 0.52862 43.3735
287 3AFN NAP 0.00000001275 0.55831 43.4109
288 2CFC NAD 0.00000001237 0.62751 43.4783
289 3VZS NAP 0.00000002645 0.53443 43.5798
290 3VZS CAA 0.0000001215 0.44749 43.5798
291 1AE1 NAP 0.00000002549 0.54918 43.5897
292 1QG6 TCL 0.00001702 0.47814 43.6782
293 1QG6 NAD 0.00001702 0.45288 43.6782
294 3QWI NAP 0.000000002575 0.6359 43.7037
295 3QWI CUE 0.00000002091 0.5529 43.7037
296 1ZK4 NAP 0.0000000174 0.5841 43.8247
297 1G0N PHH 0.000000006446 0.5951 44.5652
298 1G0N NDP 0.000000005004 0.59335 44.5652
299 1XKQ NDP 0.0000001785 0.56167 44.5652
300 2ZAT NAP 0.0000001684 0.57739 44.6154
301 2DTX BMA 0.00000009429 0.54328 44.697
302 3ICC NAP 0.0000000005477 0.66127 44.7059
303 4ZA2 NAD 0.00000004865 0.52151 44.9275
304 3NUG NAD 0.000000005288 0.56022 44.9393
305 1VL8 NAP 0.00000001756 0.59909 44.9438
306 2WYV NAD 0.00001332 0.50347 45.5939
307 3AI3 SOL 0.02006 0.42863 46.0076
308 5ITV NAI 0.000000008396 0.55528 46.6667
309 1PR9 NAP 0.00000001318 0.55811 47.541
310 3D3W NAP 0.00000002927 0.54673 47.541
311 3AY6 NAI 0.00000006262 0.55985 47.5836
312 3AY6 BGC 0.0000003146 0.47952 47.5836
313 1GEE NAD 0.000000009938 0.62526 48.2759
314 4NBT NAD 0.00000002164 0.61791 48.3333
315 4QED NAP 0.00000008421 0.58911 48.3871
316 3OID NDP 0.0000000005074 0.65629 50
317 3OID TCL 0.007407 0.45228 50
Pocket No.: 3; Query (leader) PDB : 1MXH; Ligand: DHF; Similar sites found: 329
This union binding pocket(no: 3) in the query (biounit: 1mxh.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DA3 58V 0.01513 0.42677 0.754717
2 5U8U FAD 0.007 0.40047 1.08696
3 4CJX NAP 0.003125 0.42183 1.44928
4 2GZ3 NAP 0.002053 0.40842 1.44928
5 2D7I UDP 0.03904 0.4018 1.44928
6 5ULP KB1 0.008101 0.40719 1.49254
7 2DC1 NAD 0.005029 0.40797 1.69492
8 1WVG APR 0.00002734 0.50751 1.81159
9 3B1F NAD 0.0001065 0.4954 1.81159
10 2YY7 NAD 0.000004303 0.46968 1.81159
11 3TTM PUT 0.004504 0.45919 1.81159
12 2DFV NAD 0.0005892 0.44547 1.81159
13 2F1K NAP 0.0007546 0.44428 1.81159
14 1N7G GDR 0.00001108 0.41982 1.81159
15 4NFN 2KC 0.01527 0.41556 1.81159
16 3ORF NAD 0.000004579 0.52587 1.99203
17 1ZGA SAH 0.004956 0.4433 2.17391
18 1GV0 NAD 0.0007243 0.43588 2.17391
19 3GFB NAD 0.00109 0.43472 2.17391
20 1U8X NAD 0.001912 0.42776 2.17391
21 2G5C NAD 0.002209 0.41701 2.17391
22 3GGO ENO 0.0008933 0.41549 2.17391
23 3SQP FAD 0.01815 0.41424 2.17391
24 3B20 NAD 0.008001 0.40742 2.17391
25 2X1L ADN 0.03611 0.40699 2.17391
26 3LST SAH 0.02782 0.406 2.17391
27 1UXG NAD 0.001386 0.40554 2.17391
28 2D2I NAP 0.009834 0.40361 2.17391
29 1VKO NAD 0.003692 0.40355 2.17391
30 4YCA NDP 0.007671 0.40302 2.17391
31 3GGO NAI 0.0008933 0.40261 2.17391
32 3B1J NAD 0.005443 0.40173 2.17391
33 1TZD ADP 0.03871 0.41525 2.18182
34 3W9F I3P 0.02646 0.41863 2.30769
35 2VDV SAM 0.02201 0.41109 2.43902
36 4TQG NDP 0.00000009194 0.59304 2.53623
37 2C29 NAP 0.0000006362 0.49389 2.53623
38 2C29 DQH 0.000001502 0.48327 2.53623
39 1V6A TRE 0.004543 0.46516 2.53623
40 3V1Y NAD 0.0008687 0.44178 2.53623
41 9LDB NAD 0.000508 0.43894 2.53623
42 1WP4 NDP 0.001699 0.42695 2.53623
43 1VJT NAD 0.005845 0.42527 2.53623
44 2PV7 NAD 0.002125 0.42304 2.53623
45 1E5Q NDP 0.001995 0.4214 2.53623
46 1LDM NAD 0.002313 0.41622 2.53623
47 3SSO SAH 0.01601 0.40239 2.53623
48 5CAE COA 0.004715 0.41717 2.55591
49 5N53 8NB 0.01801 0.43055 2.5641
50 3DUW SAH 0.01344 0.40871 2.69058
51 3MJE NDP 0.0000001846 0.507 2.82258
52 2CDU ADP 0.003553 0.44242 2.89855
53 3G2O SAM 0.003446 0.43931 2.89855
54 1OMO NAD 0.00572 0.41361 2.89855
55 4GKV NAD 0.003249 0.40111 2.89855
56 3MB5 SAM 0.008936 0.40807 3.13725
57 1Y1P NMN AMP PO4 0.000001394 0.57225 3.26087
58 1RKX NAD 0.0000008846 0.5447 3.26087
59 4PIV NDP 0.0000002987 0.50469 3.26087
60 4XH0 ADP 0.01596 0.43503 3.26087
61 2B4R NAD 0.0011 0.42607 3.26087
62 5JJR SAH 0.009634 0.4185 3.26087
63 2B4R AES 0.002316 0.4162 3.26087
64 3OA2 NAD 0.003819 0.41022 3.26087
65 1ZMD NAI 0.00647 0.40865 3.26087
66 1PZG A3D 0.001467 0.40687 3.26087
67 1HDO NAP 0.00004537 0.46902 3.39806
68 3CBG SAH 0.01514 0.41244 3.44828
69 4Z4P SAH 0.005871 0.43575 3.61446
70 3H8V ATP 0.0007728 0.46952 3.62319
71 3BAZ NAP 0.001721 0.43263 3.62319
72 1CER NAD 0.001823 0.4286 3.62319
73 1I0Z NAI 0.001372 0.42507 3.62319
74 2BH9 NAP 0.01195 0.42074 3.62319
75 2IXB NAD 0.002074 0.4155 3.62319
76 3VPD CIT 0.01083 0.41245 3.62319
77 4WNP 3RJ 0.0298 0.40784 3.62319
78 3L9W AMP 0.003371 0.40741 3.62319
79 3RGG AIR 0.04647 0.4012 3.77358
80 2DT5 NAD 0.0005863 0.44245 3.79147
81 1JG3 ADN 0.01445 0.41027 3.82979
82 4PVD NDP 0.0000002061 0.49084 3.98551
83 5MSO NAP 0.0000007744 0.47684 3.98551
84 1LTH NAD 0.0005451 0.45689 3.98551
85 3OJO NAD 0.002358 0.43307 3.98551
86 1SQF SAM 0.01469 0.40993 3.98551
87 2VUT NAD 0.01688 0.40135 3.98551
88 1SW1 PBE 0.02593 0.42463 4
89 1P77 ATR 0.01227 0.44032 4.04412
90 4GLL NAD 0.0000002602 0.51122 4.34783
91 3A4V NAD 0.000002846 0.50546 4.34783
92 3A4V PYR 0.000002846 0.50546 4.34783
93 4BWL MN9 0.008662 0.45175 4.34783
94 2CVQ NDP 0.001082 0.43192 4.34783
95 1MV8 NAD 0.001919 0.42768 4.34783
96 2WPB ZZI 0.02147 0.42701 4.34783
97 1F8G NAD 0.005001 0.42197 4.34783
98 1DJN ADP 0.004578 0.42063 4.34783
99 2P41 SAH 0.008896 0.42012 4.34783
100 1L7E NAI 0.004814 0.41679 4.34783
101 1MUU NAD 0.004346 0.41586 4.34783
102 4CJN QNZ 0.03642 0.41446 4.34783
103 1O94 ADP 0.005792 0.41338 4.34783
104 3EVG SAH 0.004161 0.4355 4.36364
105 2PZM UDP 0.000004451 0.49864 4.71014
106 2PZM NAD 0.000004451 0.49864 4.71014
107 1I2B NAD 0.00000319 0.43894 4.71014
108 1EZ4 NAD 0.001305 0.43454 4.71014
109 1HYH NAD 0.0009682 0.4282 4.71014
110 2UYQ SAM 0.02641 0.42443 4.71014
111 1X87 NAD 0.004113 0.42264 4.71014
112 1I2B UPG 0.00807 0.41957 4.71014
113 1I2B USQ 0.00807 0.41957 4.71014
114 3KLJ FAD 0.003591 0.40173 4.71014
115 2XYQ SAH 0.02278 0.401 4.71014
116 3A4T SFG 0.01363 0.40278 4.74453
117 4YMH SAH 0.01118 0.40384 5
118 2X6T NAP 0.0000004924 0.55924 5.07246
119 1EQ2 NAP 0.000001117 0.54539 5.07246
120 2Q1S NAI 0.000008086 0.48952 5.07246
121 3VPH NAD 0.0004688 0.43461 5.07246
122 5JE8 NAD 0.001998 0.42992 5.07246
123 5LD5 NAD 0.003066 0.42815 5.07246
124 5H81 NAP 0.003825 0.42709 5.07246
125 2A92 NAI 0.001111 0.42325 5.07246
126 1HKU NAD 0.001349 0.42267 5.07246
127 3VPH OXM 0.001066 0.4164 5.07246
128 1DXY NAD 0.005146 0.41013 5.07246
129 1DXY COI 0.02945 0.40444 5.07246
130 2DKH FAD 0.003246 0.40336 5.07246
131 5MPT SAH 0.02165 0.40203 5.07246
132 2FR1 NDP 0.0000005218 0.54885 5.43478
133 1SOW NAD 0.0007572 0.42954 5.43478
134 3KB6 NAD 0.00172 0.42674 5.43478
135 3TLJ SAH 0.009465 0.40976 5.43478
136 4DPL NAP 0.003841 0.40764 5.43478
137 1R18 SAH 0.01172 0.40567 5.43478
138 2NU8 COA 0.006675 0.4055 5.43478
139 1J0X NAD 0.002541 0.4016 5.43478
140 2Q46 NAP 0.00000005777 0.60103 5.5336
141 2Q1W NAD 0.0000005529 0.54791 5.7971
142 1UDB NAD 0.000001255 0.45703 5.7971
143 2C5A GDC 0.000002163 0.44451 5.7971
144 2C5A NAD 0.000002163 0.44451 5.7971
145 5JAQ NAI 0.0002419 0.43294 5.7971
146 1O6Z NAD 0.0024 0.42961 5.7971
147 1ZQ9 SAM 0.008163 0.42186 5.7971
148 4C2W ANP 0.03432 0.41693 5.7971
149 3UN3 G16 0.01327 0.40947 5.7971
150 2GVC FAD 0.002621 0.40682 5.7971
151 1VQW FAD 0.002715 0.40625 5.7971
152 1X7D NAD 0.005274 0.40466 5.7971
153 2GV8 FAD 0.002714 0.40398 5.7971
154 1YKJ PHB 0.006486 0.40041 5.7971
155 1YKJ FAD 0.006486 0.40041 5.7971
156 1BXK NAD 0.000001262 0.54802 6.15942
157 3ABI NAD 0.0008784 0.43261 6.30137
158 1RPN NDP 0.000006047 0.49384 6.52174
159 1EK6 NAI 0.000004146 0.43656 6.52174
160 1EK6 UPG 0.000003253 0.43202 6.52174
161 1LVL NAD 0.01712 0.40108 6.52174
162 3QV1 NAD 0.008559 0.40106 6.52174
163 2J73 GLC GLC GLC 0.04067 0.40802 6.79612
164 1A5Z NAD 0.0001068 0.49535 6.88406
165 1DSS NAD 0.0005581 0.45299 6.88406
166 4KOA NDP 0.003032 0.44569 6.88406
167 2EXX NAP 0.0002601 0.44127 6.88406
168 2IZ1 ATR 0.01885 0.42796 6.88406
169 4KRG SAH 0.02459 0.40236 6.88406
170 1NYT NAP 0.008633 0.40341 7.01107
171 1J5P NAD 0.002906 0.41757 7.11462
172 4HXY NDP 0.0000002269 0.56735 7.24638
173 3RFV NAI 0.00000157 0.54905 7.24638
174 3RFV 15L 0.00002692 0.50352 7.24638
175 1WDK NAD 0.001536 0.44111 7.24638
176 1V59 NAD 0.009929 0.43219 7.24638
177 3QX9 ATP 0.02224 0.4274 7.24638
178 4JK3 NAD 0.002573 0.42247 7.33591
179 4ZRN NAD 0.0000001431 0.56056 7.6087
180 4ZRN UPG 0.000001411 0.46284 7.6087
181 4N49 SAM 0.01225 0.40762 7.6087
182 2HK9 ATR 0.002935 0.46376 7.63636
183 2HK9 NAP 0.008254 0.40171 7.63636
184 2HMT NAI 0.001707 0.4425 7.63889
185 1LSS NAD 0.0009481 0.45743 7.85714
186 4U7W NDP 0.00000001189 0.53385 7.97101
187 1KTG AMP 0.01903 0.43653 7.97101
188 1E7S NAP 0.000000285 0.51059 8.33333
189 2Y6Q FAD 0.001899 0.41447 8.33333
190 3LKZ SFG 0.0119 0.41113 8.33333
191 1NVM NAD 0.003412 0.40721 8.33333
192 2Q0L NAP 0.02976 0.40137 8.33333
193 1KYQ NAD 0.006366 0.43038 8.39416
194 3LU1 NAD 0.0000003728 0.56395 9.05797
195 1V35 NAI 0.00002765 0.45268 9.05797
196 1X14 NAD 0.00211 0.45317 9.42029
197 2OOR NAD 0.003908 0.42668 9.77011
198 1Z45 NAD 0.0000002789 0.56886 9.78261
199 1R6D NAD 0.000002809 0.51678 9.78261
200 1R6D DAU 0.000007093 0.5011 9.78261
201 4EUE NAI 0.00007324 0.46783 9.78261
202 1FP1 SAH 0.003921 0.44426 9.78261
203 1HDG NAD 0.007091 0.40698 9.78261
204 2YVJ NAI 0.006114 0.42771 10.0917
205 3H9E NAD 0.002178 0.42544 10.1449
206 1U1I NAD 0.001537 0.41303 10.1449
207 1SB8 NAD 0.000001817 0.46622 10.5072
208 1SB8 UD2 0.000001059 0.45702 10.5072
209 4RQU NAD 0.001442 0.42697 10.5072
210 1EJ0 SAM 0.02296 0.40083 10.5556
211 1ORR NAD 0.0000002006 0.55979 10.8696
212 4J1Q NDP 0.000001045 0.47728 10.8696
213 5MDH NAD 0.0002376 0.46134 10.8696
214 4MDH NAD 0.0005902 0.44544 10.8696
215 1C1X NAD 0.003089 0.41922 10.8696
216 1BW9 NAD 0.002577 0.43463 11.2319
217 1HYE NAP 0.011 0.40415 11.2319
218 3KO8 NAD 0.0000001069 0.57484 11.5942
219 1KYZ SAH 0.002543 0.44546 11.5942
220 1OC2 NAD 0.00000382 0.43536 11.5942
221 1OC2 TDX 0.00000382 0.43536 11.5942
222 2BKA NDP 0.00003627 0.4903 11.9835
223 2VYN NAD 0.001141 0.431 12.3188
224 3RJ5 NAD 0.0000008722 0.51601 12.5984
225 1GY8 NAD 0.0000006305 0.55034 13.0435
226 3S5W FAD 0.004778 0.40394 13.0435
227 3O26 NDP 0.0000002441 0.5028 14.8551
228 4Q9N NAI 0.000009014 0.50605 15.5797
229 1PL6 NAD 0.0003387 0.47743 15.5797
230 1PL6 572 0.001558 0.41771 15.5797
231 3CH6 NAP 0.0000001654 0.56968 15.942
232 1GZ6 NAI 0.000001697 0.53386 15.942
233 3CH6 311 0.0000001654 0.45225 15.942
234 1KEW TYD 0.000009128 0.43985 15.942
235 1KEW NAD 0.00001004 0.43576 15.942
236 4OHU 2TK 0.00002432 0.41267 15.942
237 4OHU NAD 0.00002432 0.41267 15.942
238 4K26 NDP 0.00000001884 0.60877 16.3043
239 1ZBQ NAD 0.0000004511 0.55124 16.3043
240 4K26 SFF 0.00000007233 0.54735 16.3043
241 1N5D NDP 0.0000012 0.53962 16.3043
242 5L53 NAP 0.0000008299 0.45339 16.6667
243 5L4S NAP 0.0000004896 0.5211 17.3913
244 5L4S 6KX 0.0000004896 0.5211 17.3913
245 1WMA NDP 0.000006628 0.4637 17.3913
246 1WMA AB3 0.000006628 0.4637 17.3913
247 1FK8 NAD 0.00000001585 0.64221 17.8988
248 1XSE NDP 0.000000003048 0.58684 18.8406
249 5E8J SAH 0.02002 0.41315 19.9275
250 2PD4 DCN 0.00002176 0.47734 20
251 2PD4 NAD 0.00002483 0.47528 20
252 2DKN NAI 0.000000001858 0.66011 20.3922
253 3OIG NAD 0.000006167 0.52515 21.4286
254 4O1M NAD 0.00003082 0.48928 22.4638
255 5IN4 6CK 0.0001079 0.50657 23.913
256 5IN4 NAP 0.0001124 0.5062 23.913
257 5IN4 GDP 0.0001182 0.50417 23.913
258 2BD0 NAP 0.00000002312 0.59993 26.8116
259 3WXB NDP 0.0000004323 0.55662 27.1739
260 1Z6Z NAP 0.000002108 0.53465 31.5217
261 4J7U YTZ 0.000000416 0.5334 31.5217
262 4J7U NAP 0.000000416 0.5334 31.5217
263 1A27 NAP 0.000005632 0.51803 31.5217
264 3HB5 NAP 0.0000000793 0.50051 31.5217
265 1D7O NAD 0.00001036 0.48219 32.2464
266 1NFQ NAI 0.0000000117 0.5534 32.6923
267 1OAA OAA 0.00000004823 0.53143 32.8185
268 1W8D NAP 0.000000002907 0.68019 34.4371
269 1W73 NAP 0.00000000377 0.67541 34.4371
270 1W6U NAP 0.000000004382 0.67264 35.4305
271 1W6U HXC 0.007124 0.4152 35.4305
272 3OJF NDP 0.000008784 0.49155 36.2319
273 3OJF IMJ 0.00001221 0.4641 36.2319
274 2GDZ NAD 0.00000002009 0.53776 38.5768
275 1H5Q NAP 0.0000000008778 0.65982 39.6226
276 2B4Q NAP 0.0000002927 0.56804 39.8551
277 4FC7 COA 0.0000001145 0.55305 39.8551
278 2Q2V NAD 0.00000002764 0.54782 39.8551
279 4FC7 NAP 0.0000001145 0.52411 39.8551
280 4D42 W0I 0.000002474 0.51529 39.8551
281 4D42 NAP 0.000002474 0.51529 39.8551
282 1E3W NAD 0.00000004024 0.6016 40.2299
283 1E6W NAD 0.00000002829 0.60756 40.3846
284 3V1U NAD 0.000000004574 0.66467 40.942
285 3RKR NAP 0.00001307 0.58544 41.2214
286 3O03 NAP 0.000000003122 0.66454 41.3043
287 1U7T NAD 0.00000003616 0.61495 41.3793
288 1U7T TDT 0.000000009026 0.56579 41.3793
289 2AE2 PTO 0.00000001056 0.58584 41.5385
290 2AE2 NAP 0.00000001056 0.58584 41.5385
291 1ZEM NAD 0.00000001121 0.64183 41.6031
292 5CG1 NAD BBN 0.00005421 0.40113 42.029
293 1YXM ADE 0.0001117 0.54469 42.3913
294 1X1T NAD 0.0000000198 0.59716 42.6923
295 1XHL NDP 0.0000001999 0.51485 42.7536
296 3ZV6 NAD 0.0000003305 0.51472 42.7536
297 3ZV6 4HB 0.0000003654 0.5084 42.7536
298 2WSB NAD 0.00000001932 0.5767 42.9134
299 2RH4 EMO 0.000000004071 0.55306 43.1159
300 1O5I NAD 0.00001383 0.54501 43.3735
301 3AFN NAP 0.00000001223 0.55886 43.4109
302 2CFC NAD 0.00000000559 0.64117 43.4783
303 3VZS NAP 0.00000002267 0.53697 43.5798
304 3VZS CAA 0.0000001042 0.45011 43.5798
305 1AE1 NAP 0.00000001726 0.55527 43.5897
306 1QG6 TCL 0.00001694 0.47821 43.6782
307 1QG6 NAD 0.00001694 0.45168 43.6782
308 3QWI NAP 0.000000002676 0.63527 43.7037
309 3QWI CUE 0.00000002015 0.55338 43.7037
310 1ZK4 NAP 0.00000001539 0.58599 43.8247
311 1G0N PHH 0.000000005233 0.59826 44.5652
312 1G0N NDP 0.00000000452 0.59487 44.5652
313 1XKQ NDP 0.0000001202 0.56805 44.5652
314 2ZAT NAP 0.0000002131 0.57341 44.6154
315 2DTX BMA 0.00000005457 0.55127 44.697
316 3ICC NAP 0.0000000004139 0.66585 44.7059
317 4ZA2 NAD 0.00000003475 0.5255 44.9275
318 3NUG NAD 0.000000005307 0.56001 44.9393
319 1VL8 NAP 0.00000001244 0.60466 44.9438
320 2WYV NAD 0.00001412 0.50248 45.5939
321 3AI3 SOL 0.01601 0.43399 46.0076
322 5ITV NAI 0.000000005069 0.56167 46.6667
323 1PR9 NAP 0.0000000108 0.5605 47.541
324 3D3W NAP 0.00000002801 0.54849 47.541
325 3AY6 NAI 0.00000003811 0.5674 47.5836
326 3AY6 BGC 0.0000001958 0.48527 47.5836
327 1GEE NAD 0.000000007561 0.62988 48.2759
328 4NBT NAD 0.00000001464 0.62462 48.3333
329 4QED NAP 0.00000006104 0.59456 48.3871
330 3OID NDP 0.0000000004685 0.65757 50
331 3OID TCL 0.005553 0.4591 50
Pocket No.: 4; Query (leader) PDB : 1MXH; 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: 1mxh.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1MXH; Ligand: DHF; 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: 1mxh.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1MXH; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1mxh.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1MXH; Ligand: DHF; 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: 1mxh.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1MXH; Ligand: DHF; 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: 1mxh.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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