Receptor
PDB id Resolution Class Description Source Keywords
4J7U 2.44 Å EC: 1.1.1.153 CRYSTAL STRUCTURE OF HUMAN SEPIAPTERIN REDUCTASE IN COMPLEX SULFATHIAZOLE HOMO SAPIENS REDUCTASE OXIDOREDUCTASE-ANTIBIOTIC COMPLEX
Ref.: TETRAHYDROBIOPTERIN BIOSYNTHESIS AS AN OFF-TARGET O DRUGS. SCIENCE V. 340 987 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL C:806;
B:805;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 D:803;
B:803;
C:804;
A:804;
A:803;
C:803;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
NAP A:801;
C:801;
B:801;
D:801;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
PEG C:805;
A:805;
B:804;
A:806;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
106.12 C4 H10 O3 C(COC...
YTZ A:802;
B:802;
C:802;
D:802;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Ki = 14 nM
255.317 C9 H9 N3 O2 S2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4J7U 2.44 Å EC: 1.1.1.153 CRYSTAL STRUCTURE OF HUMAN SEPIAPTERIN REDUCTASE IN COMPLEX SULFATHIAZOLE HOMO SAPIENS REDUCTASE OXIDOREDUCTASE-ANTIBIOTIC COMPLEX
Ref.: TETRAHYDROBIOPTERIN BIOSYNTHESIS AS AN OFF-TARGET O DRUGS. SCIENCE V. 340 987 2013
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4HWK ic50 = 82 nM SFY C11 H11 N3 O2 S c1ccnc(c1)....
2 4Z3K ic50 = 0.15 uM 4KL C10 H7 N O4 c1cc2c(cc(....
3 4XWY ic50 = 54 nM 43O C14 H18 N2 O3 Cc1c(c2cc(....
4 4J7U Ki = 14 nM YTZ C9 H9 N3 O2 S2 c1cc(ccc1N....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1SEP - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1NAS - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 1OAA - OAA C4 H3 O5 C(C(=O)C(=....
4 4HWK ic50 = 82 nM SFY C11 H11 N3 O2 S c1ccnc(c1)....
5 4Z3K ic50 = 0.15 uM 4KL C10 H7 N O4 c1cc2c(cc(....
6 4XWY ic50 = 54 nM 43O C14 H18 N2 O3 Cc1c(c2cc(....
7 4J7U Ki = 14 nM YTZ C9 H9 N3 O2 S2 c1cc(ccc1N....
8 1Z6Z - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1SEP - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1NAS - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 1OAA - OAA C4 H3 O5 C(C(=O)C(=....
4 4HWK ic50 = 82 nM SFY C11 H11 N3 O2 S c1ccnc(c1)....
5 4Z3K ic50 = 0.15 uM 4KL C10 H7 N O4 c1cc2c(cc(....
6 4XWY ic50 = 54 nM 43O C14 H18 N2 O3 Cc1c(c2cc(....
7 4J7U Ki = 14 nM YTZ C9 H9 N3 O2 S2 c1cc(ccc1N....
8 1Z6Z - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; 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
Ligand no: 2; Ligand: YTZ; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 YTZ 1 1
2 SFY 0.444444 0.851852
3 XTZ 0.417722 0.6375
4 LS4 0.413333 0.746269
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4J7U; Ligand: YTZ; Similar sites found: 419
This union binding pocket(no: 1) in the query (biounit: 4j7u.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1FK8 NAD 0.0000000005499 0.71087 0.694444
2 2HJR APR 0.0002976 0.47652 1.04167
3 1GY8 NAD 0.000001303 0.54426 1.73611
4 4PVD NDP 0.000009323 0.52789 1.73611
5 2Q1W NAD 0.000003038 0.52174 1.73611
6 1X87 NAD 0.00108 0.45207 1.73611
7 3WLE NAD 0.0009812 0.41971 1.73611
8 3V1Y NAD 0.003914 0.41906 1.73611
9 3B20 NAD 0.008405 0.41038 1.73611
10 4EYG VNL 0.04583 0.40165 1.73611
11 4K7O EKZ 0.0212 0.43 1.78571
12 2XVM SAH 0.001573 0.47227 2.01005
13 2FR1 NDP 0.0000002174 0.56965 2.05761
14 1RKX NAD 0.0000003407 0.56692 2.08333
15 4OOE NDP 0.0008787 0.446 2.08333
16 1GUZ NAD 0.001488 0.43073 2.08333
17 2X7I CIT 0.01761 0.42703 2.08333
18 2PUZ NIG 0.04174 0.41456 2.08333
19 3GGO NAI 0.001404 0.40343 2.08333
20 3GGO ENO 0.001404 0.40343 2.08333
21 1G55 SAH 0.02147 0.403 2.08333
22 4CJX NAP 0.01172 0.40164 2.08333
23 2G5C NAD 0.003713 0.41228 2.13523
24 3A27 SAM 0.006509 0.43038 2.20588
25 3WV8 ATP 0.002731 0.4445 2.29358
26 2VT3 ATP 0.01606 0.42528 2.32558
27 3ORF NAD 0.000002325 0.54339 2.39044
28 2VUT NAD 0.001797 0.44925 2.43056
29 1TI7 NAP 0.002335 0.4441 2.43056
30 2EXX NAP 0.0003153 0.44288 2.43056
31 1V59 NAD 0.01127 0.4332 2.43056
32 4ZNO SUC 0.01427 0.43142 2.43056
33 5DN9 NAD 0.000936 0.42786 2.43056
34 1DNP MHF 0.03062 0.42649 2.43056
35 5FA5 MTA 0.01148 0.42538 2.43056
36 1HYH NAD 0.002799 0.41465 2.43056
37 4N9Z V3L 0.04772 0.40549 2.43056
38 1Y8Q ATP 0.01201 0.40369 2.43056
39 4DYG MES 0.03016 0.4132 2.45902
40 2F1K NAP 0.0004323 0.45878 2.50896
41 4JK3 NAD 0.007228 0.40798 2.7027
42 4ZRN NAD 0.0000006696 0.54221 2.77778
43 2C5A NAD 0.0000006622 0.47051 2.77778
44 2C5A GDC 0.0000006622 0.47051 2.77778
45 2I3G NAP 0.000175 0.4615 2.77778
46 4ZRN UPG 0.000004178 0.46058 2.77778
47 1YS4 NAP 0.0009461 0.45815 2.77778
48 4D3F NAP 0.001607 0.44792 2.77778
49 2PZM NAD 0.0000843 0.44316 2.77778
50 2PZM UDP 0.0000843 0.44316 2.77778
51 4DPL NAP 0.0008664 0.43727 2.77778
52 5CG1 NAD BBN 0.00000224 0.43461 2.77778
53 4RDH AMP 0.01095 0.42641 2.77778
54 4E5N NAD 0.001868 0.42149 2.77778
55 2B4R NAD 0.001922 0.421 2.77778
56 4D79 ATP 0.01136 0.41895 2.77778
57 4XQC NAD 0.0003514 0.41815 2.77778
58 2JJQ SAH 0.02185 0.41489 2.77778
59 4DMG SAM 0.02742 0.41327 2.77778
60 4XQC 13D 0.0004986 0.41008 2.77778
61 4RDI ATP 0.01828 0.40917 2.77778
62 1U1I NAD 0.002912 0.40698 2.77778
63 2GZ3 NAP 0.0003181 0.40463 2.77778
64 5A7Y SAH 0.04655 0.40461 2.77778
65 1ZH8 NAP 0.008683 0.40225 2.77778
66 2B4R AES 0.006658 0.40224 2.77778
67 4AZT SAM 0.02614 0.40177 2.77778
68 2VDV SAM 0.006444 0.44158 2.84553
69 1ORR NAD 0.000001402 0.53441 2.88184
70 3GDH SAH 0.01466 0.40248 2.90456
71 3EGI ADP 0.02051 0.43175 2.91262
72 1P77 ATR 0.04954 0.41037 2.94118
73 1NYT NAP 0.002523 0.42987 2.95203
74 5BW4 SAM 0.0202 0.41012 2.99625
75 1QG6 TCL 0.00000004791 0.5443 3.06513
76 1QG6 NAD 0.00000004791 0.5443 3.06513
77 1HDO NAP 0.00001151 0.4963 3.125
78 5H81 NAP 0.002902 0.43649 3.125
79 2GCG NDP 0.002472 0.42187 3.125
80 3ICS ADP 0.0255 0.4149 3.125
81 4XYB NDP 0.001955 0.41342 3.125
82 3VSE SAH 0.03081 0.41065 3.125
83 4LWP SAH 0.02099 0.40631 3.125
84 3ICT ADP 0.03801 0.4059 3.125
85 4TQ3 GPP 0.04176 0.40376 3.125
86 5EPA AKG 0.03464 0.41909 3.22581
87 3I6B KDO 0.01472 0.43972 3.33333
88 2DC1 NAD 0.0001201 0.47818 3.38983
89 4EUE NAI 0.00000004807 0.59475 3.47222
90 2V6G NAP 0.000001144 0.54646 3.47222
91 5IN4 6CK 0.0002934 0.47896 3.47222
92 5IN4 NAP 0.0003283 0.47738 3.47222
93 5IN4 GDP 0.0003512 0.47515 3.47222
94 5KOD IAC 0.02755 0.42804 3.47222
95 1OC2 NAD 0.00001645 0.42636 3.47222
96 1OC2 TDX 0.00001645 0.42636 3.47222
97 2J6U DGT 0.03771 0.4095 3.47222
98 1X7D NAD 0.005182 0.40895 3.47222
99 4JBI NDP 0.009135 0.40624 3.47222
100 1R18 SAH 0.0159 0.40352 3.52423
101 4GLL NAD 0.000002508 0.46139 3.56083
102 3FUU ADN 0.01364 0.41217 3.69004
103 2DT5 NAD 0.005098 0.40923 3.79147
104 2UYQ SAM 0.008944 0.45414 3.81944
105 3O7W SAM 0.003871 0.45268 3.81944
106 1CER NAD 0.001209 0.44025 3.81944
107 3I6I NDP 0.0004044 0.42863 3.81944
108 4MDH NAD 0.002232 0.42637 3.81944
109 5MDH NAD 0.002866 0.42194 3.81944
110 4GKV NAD 0.001352 0.41938 3.81944
111 3GFB NAD 0.003436 0.41872 3.81944
112 1GQ2 NAP 0.003526 0.41568 3.81944
113 3VPH NAD 0.002099 0.41461 3.81944
114 3VPH OXM 0.001861 0.41191 3.81944
115 4R5M NAP 0.004776 0.41037 3.81944
116 3JV7 NAD 0.004321 0.40967 3.81944
117 4YMH SAH 0.01548 0.40677 3.81944
118 5X20 NAD 0.01294 0.40486 3.81944
119 1OPK MYR 0.0269 0.40407 3.81944
120 4R5M 4NO 0.006463 0.40048 3.81944
121 2BZG SAH 0.0207 0.4066 3.87931
122 2CUL FAD 0.003263 0.40297 3.87931
123 2DFV NAD 0.001328 0.43558 4.03458
124 1EQ2 NAP 0.000003481 0.53194 4.16667
125 2X6T NAP 0.000006614 0.52092 4.16667
126 5F5N NAD 0.00003324 0.50499 4.16667
127 1RPN NDP 0.00001316 0.48729 4.16667
128 1E5Q NDP 0.0007027 0.44382 4.16667
129 1BW9 NAD 0.002462 0.43968 4.16667
130 4RQU NAD 0.00137 0.43218 4.16667
131 1C1X NAD 0.002478 0.42731 4.16667
132 5CAE COA 0.004423 0.42238 4.16667
133 1OHE ACE ALA SEP PRO 0.0324 0.42071 4.16667
134 1YB5 NAP 0.001981 0.41321 4.16667
135 5LD5 NAD 0.00898 0.41183 4.16667
136 1P0F NAP 0.003002 0.41107 4.16667
137 5GZ6 NDP 0.01686 0.40508 4.16667
138 3C3Y SAH 0.00756 0.42405 4.21941
139 2YLN CYS 0.04728 0.41241 4.24028
140 4K28 NAD 0.002536 0.42977 4.46097
141 2DKN NAI 0.00000000002228 0.74483 4.51389
142 1Y1P NMN AMP PO4 0.00002961 0.52029 4.51389
143 5JAQ NAI 0.00000144 0.51089 4.51389
144 4OHU NAD 0.0000004891 0.46802 4.51389
145 4OHU 2TK 0.0000004891 0.46802 4.51389
146 1EK6 NAI 0.000002395 0.45467 4.51389
147 3ABI NAD 0.0003953 0.45074 4.51389
148 1EK6 UPG 0.000004827 0.43986 4.51389
149 4CQB MLI 0.03002 0.42266 4.51389
150 1F6D UDP 0.04067 0.40774 4.51389
151 4PBG BGP 0.04963 0.4066 4.51389
152 3L4S NAD 0.003953 0.40649 4.51389
153 3L4S 3PG 0.004449 0.40229 4.51389
154 3SJU NDP 0.000000003486 0.64432 4.6595
155 4II2 ATP 0.01006 0.4153 4.81928
156 1VM6 NAD 0.001249 0.44276 4.82456
157 4R1S NAP 0.000002173 0.55412 4.86111
158 5E8J SAH 0.0006361 0.49195 4.86111
159 5JE8 NAD 0.002953 0.42698 4.86111
160 5A1S FLC 0.03825 0.41548 4.86111
161 1V8B ADN 0.02842 0.4091 4.86111
162 1MV8 NAD 0.009016 0.40399 4.86111
163 2GUD BMA 0.04251 0.4086 4.91803
164 5TWJ SAM 0.01076 0.41112 4.93827
165 2PXX SAH 0.01602 0.40892 5.11628
166 5LOG SAH 0.0212 0.40326 5.15021
167 5T9F TYR 0.0007731 0.42107 5.16605
168 5T9F NAP 0.001014 0.41919 5.16605
169 3A4V NAD 0.0000005195 0.53794 5.20833
170 3A4V PYR 0.0000005195 0.53794 5.20833
171 2YY7 NAD 0.000001117 0.47079 5.20833
172 1KEW TYD 0.00001602 0.44109 5.20833
173 1KEW NAD 0.00001659 0.43835 5.20833
174 1VL0 NAI 0.000004143 0.43439 5.20833
175 1N7G GDR 0.00001958 0.42366 5.20833
176 3OA2 NAD 0.003608 0.41527 5.20833
177 1F06 NDP 0.002952 0.41375 5.20833
178 3G89 SAM 0.008124 0.43653 5.22088
179 1QPR PHT 0.03861 0.42098 5.28169
180 4NEC SAH 0.008135 0.43275 5.30303
181 3KB6 NAD 0.0009046 0.44239 5.55556
182 5KKA 6V0 0.0005258 0.44007 5.55556
183 1EZ4 NAD 0.001442 0.43707 5.55556
184 2YX1 SFG 0.01 0.43199 5.55556
185 3PT9 SAH 0.007883 0.42645 5.55556
186 4XZ3 COA 0.004981 0.42304 5.55556
187 1PZG A3D 0.002376 0.40371 5.55556
188 4LS7 1X9 0.03571 0.40099 5.55556
189 1WY7 SAH 0.007174 0.41898 5.7971
190 1PL6 NAD 0.001979 0.44735 5.90278
191 1PL6 572 0.001027 0.42892 5.90278
192 3OFK SAH 0.009012 0.42705 5.90278
193 1D1T NAD 0.00127 0.42539 5.90278
194 4JX1 CAM 0.02213 0.41675 5.90278
195 5UAV NDP 0.001449 0.41359 5.90278
196 5UAV TFB 0.001449 0.41359 5.90278
197 1DJN ADP 0.01033 0.40915 5.90278
198 1US2 XYP XYP XYP XYP 0.04764 0.40758 5.90278
199 5THY SAH 0.01535 0.40693 5.90278
200 1LJ8 NAD 0.01476 0.40498 5.90278
201 1BXK NAD 0.0000009255 0.55945 5.91549
202 4TQG NDP 0.000000606 0.47258 6.25
203 1I9G SAM 0.007699 0.42058 6.25
204 3X27 TRP 0.04181 0.41068 6.25
205 1WP4 NDP 0.006276 0.40803 6.25
206 2Q46 NAP 0.000001005 0.55802 6.32411
207 3GU3 SAH 0.01313 0.43375 6.33803
208 3ZCB ATP 0.03539 0.40426 6.56566
209 1EJ0 SAM 0.002168 0.45289 6.66667
210 1ZQ9 SAM 0.01352 0.41538 6.66667
211 4XDY NAI 0.01099 0.40041 6.80473
212 3TL1 JRO 0.02872 0.42362 6.91824
213 4U7W NDP 0.0000001412 0.5977 6.94444
214 2DBZ NAP 0.0002249 0.46368 6.94444
215 1KYQ NAD 0.004539 0.44139 6.94444
216 5W4W 9WG 0.007287 0.4158 6.94444
217 3A25 SAM 0.01334 0.41565 6.94444
218 4DCM SAM 0.0227 0.41077 6.94444
219 1GT6 OLA 0.02768 0.40968 6.94444
220 4KBA 1QM 0.04871 0.40705 6.94444
221 5HJM MTA 0.01916 0.4053 6.94444
222 5KO1 6UY 0.03596 0.40084 6.94444
223 1ZBQ NAD 0.000000003816 0.63689 7.03364
224 2D2F ADP 0.04775 0.40613 7.2
225 3WMX NAD 0.000001345 0.56276 7.29167
226 5FI3 NAP 0.002389 0.41985 7.29167
227 5U5G NAP 0.003292 0.41687 7.29167
228 4KRG SAH 0.01776 0.41282 7.29167
229 1NVM NAD 0.005658 0.40273 7.29167
230 2XYQ SAH 0.006808 0.42946 7.37705
231 4OBW SAM 0.0245 0.40311 7.393
232 2FOI JPA 0.009296 0.44163 7.43494
233 1H5Q NAP 0.00000001413 0.62068 7.54717
234 1I36 NAP 0.006657 0.42043 7.57576
235 3MJE NDP 0.0000001676 0.58399 7.63889
236 5DOZ NDP 0.00263 0.41092 7.63889
237 1ZMD NAI 0.008514 0.40753 7.63889
238 5F91 5WJ 0.04756 0.40411 7.63889
239 2C29 NAP 0.000005151 0.47815 8.01187
240 2C29 DQH 0.00001563 0.46243 8.01187
241 1JAY NAP 0.01362 0.40653 8.01887
242 2PK3 A2R 0.00002074 0.54233 8.33333
243 1J49 NAD 0.003806 0.41434 8.33333
244 2VYN NAD 0.004301 0.4122 8.33333
245 3A4T SFG 0.01606 0.40333 8.39416
246 1N5D NDP 0.00000000001074 0.74199 8.68056
247 1WMA AB3 0.00000000002628 0.64994 8.68056
248 1WMA NDP 0.00000000002628 0.64994 8.68056
249 4PIV NDP 0.000007564 0.51456 8.68056
250 1WDK NAD 0.009457 0.41084 8.68056
251 3HQP OXL 0.04208 0.40634 8.68056
252 1NNU NAD 0.00000108 0.40668 8.73362
253 1NNU TCT 0.000001138 0.40419 8.73362
254 5MSO NAP 0.0000002588 0.59245 9.02778
255 2HK9 ATR 0.002405 0.47242 9.02778
256 2HK9 NAP 0.003935 0.41896 9.02778
257 2ZWA SAH 0.01453 0.40528 9.06475
258 2WYV NAD 0.000001708 0.54415 9.1954
259 3H4V DVP 0.0000002865 0.52389 9.375
260 3H4V NAP 0.0000007819 0.51288 9.375
261 5F8F SFG 0.006451 0.4377 9.375
262 3A06 NDP 0.001524 0.41745 9.375
263 3A06 FOM 0.001452 0.41356 9.375
264 1FAO 4IP 0.04009 0.41553 9.52381
265 4LO2 GAL BGC 0.04265 0.40542 9.52381
266 4QTU SAM 0.007552 0.42407 9.62963
267 3T7S SAM 0.01046 0.42065 9.70149
268 1SQF SAM 0.003234 0.4447 9.72222
269 5HWK BEZ 0.03138 0.41987 9.72222
270 5KVS NAP 0.005444 0.4185 9.72222
271 1KYZ SAH 0.01773 0.41286 9.72222
272 3QV1 NAD 0.003649 0.4231 9.7561
273 1EYQ NAR 0.04887 0.40697 10.0694
274 1XTT U5P 0.01155 0.42525 10.1852
275 3H8V ATP 0.0009185 0.47044 10.7639
276 5L95 AMP 0.0008047 0.46901 10.7639
277 1O6Z NAD 0.0004152 0.4665 10.7639
278 4WA2 SIA GAL NAG 0.04878 0.41075 10.7639
279 1CKM GTP 0.04653 0.40814 10.7639
280 4FOU C2E 0.04417 0.40249 11.3636
281 1LLU NAD 0.002706 0.40817 11.4583
282 2PV7 NAD 0.001311 0.43581 12.1528
283 3GRU AMP 0.00893 0.41193 12.1528
284 4NBT NAD 0.0000000002008 0.7065 12.5
285 2NNJ 225 0.02005 0.42803 12.5
286 4JLS 3ZE 0.03217 0.42119 12.5
287 5MPT SAH 0.007684 0.42698 12.8472
288 1LSS NAD 0.003596 0.43559 12.8571
289 3LU1 NAD 0.000000385 0.56972 13.1944
290 4O1M NAD 0.0000001355 0.58764 13.8889
291 2CVQ NDP 0.001628 0.42916 13.8889
292 1W73 NAP 0.0000001077 0.62039 14.5695
293 1W8D NAP 0.0000001185 0.61859 14.5695
294 4J1Q NDP 0.000002163 0.45238 14.5833
295 3VYW SAM 0.01565 0.40655 14.5833
296 1L3I SAH 0.01189 0.40138 15.625
297 5L4L NAP 0.0001793 0.48215 15.9722
298 5L4L 7OX 0.001057 0.41624 15.9722
299 1DTL BEP 0.02389 0.41638 16.1491
300 4Q9N NAI 0.00000001525 0.52448 16.443
301 1W6U NAP 0.00000005648 0.63241 16.6667
302 4HXY NDP 0.00000006984 0.59369 17.3516
303 4HXY ACA 0.002366 0.44095 17.3516
304 1GZ6 NAI 0.00000009124 0.58917 17.3611
305 5LUB 3Y7 0.03906 0.41585 18.3206
306 4FC7 COA 0.00000003937 0.55249 19.1336
307 4FC7 NAP 0.00000003937 0.55249 19.1336
308 3O26 NDP 0.000000000006218 0.75903 20.1389
309 5L53 NAP 0.00000002049 0.66553 20.8333
310 3RJ5 NAD 0.000000003341 0.60687 22.0472
311 2PD4 DCN 0.00000003585 0.58457 22.1818
312 2PD4 NAD 0.00000003741 0.5839 22.1818
313 5L4S 6KX 0.000000000005378 0.71123 22.9167
314 5L4S NAP 0.000000000005378 0.71123 22.9167
315 3VZS NAP 0.00000005478 0.5378 23.3463
316 3VZS CAA 0.0000005166 0.44527 23.3463
317 5GT9 NAP 0.000000001702 0.65643 26.9962
318 3QWI NAP 0.000000002169 0.64628 28.4722
319 3QWI CUE 0.000000003707 0.59105 28.4722
320 1U7T NAD 0.000000009577 0.64537 28.8194
321 1U7T TDT 0.000000006393 0.58309 28.8194
322 4D42 W0I 0.00000005518 0.5581 28.8194
323 4D42 NAP 0.00000005518 0.5581 28.8194
324 4CME NAP 0.0000002699 0.58093 29.8611
325 4CLO NAP 0.0000003802 0.58015 29.8611
326 4CM9 NAP 0.0000002855 0.57485 29.8611
327 3JQA NAP 0.0000005639 0.57316 29.8611
328 5JDC NAP 0.0000004524 0.57192 29.8611
329 4CM8 NAP 0.0000004622 0.57155 29.8611
330 4CM4 NAP 0.0000005215 0.56944 29.8611
331 3BMQ NAP 0.000000417 0.56835 29.8611
332 4CLR NAP 0.0000005597 0.56821 29.8611
333 5JCJ NAP 0.0000005693 0.56792 29.8611
334 3JQ8 NAP 0.0000004555 0.56683 29.8611
335 3JQ9 NAP 0.0000004584 0.56672 29.8611
336 5JDI NAP 0.0000006484 0.56565 29.8611
337 3JQF NAP 0.0000004914 0.56553 29.8611
338 3BMO NAP 0.0000006816 0.56478 29.8611
339 3JQG NAP 0.0000009784 0.5634 29.8611
340 4CMI NAP 0.0000007614 0.56285 29.8611
341 3BMN NAP 0.000000583 0.5626 29.8611
342 3JQB NAP 0.000001125 0.56093 29.8611
343 3JQ7 NAP 0.000002004 0.55069 29.8611
344 5K6A NAP 0.0000002487 0.48381 29.8611
345 5JCJ 6JM 0.01861 0.43409 29.8611
346 5JDI 6JO 0.02355 0.42934 29.8611
347 3JQA DX4 0.01566 0.41823 29.8611
348 4CME KTZ 0.04332 0.40628 29.8611
349 3OJF NDP 0.00000001571 0.5977 30.2083
350 4YAG NAI 0.000000008888 0.57393 30.2083
351 3OJF IMJ 0.00000002902 0.561 30.2083
352 4O0L NDP 0.000000004327 0.64067 30.5455
353 1VL8 NAP 0.0000000001511 0.68406 30.7116
354 5THQ NDP 0.0000000001716 0.5718 30.8824
355 3AFN NAP 0.0000000002034 0.58839 31.0078
356 1JA9 NDP 0.001084 0.45539 31.0219
357 4QED NAP 0.0000001111 0.59104 31.25
358 1MXH DHF 0.000000416 0.5334 31.5217
359 1MXH NAP 0.0000005554 0.52899 31.5217
360 1E6W NAD 0.000000002836 0.65398 31.5972
361 4OSP NAP 0.0000000002391 0.70346 31.9392
362 4OSP 2V4 0.02477 0.4272 31.9392
363 1XSE NDP 0.000000000007529 0.68748 31.9444
364 2WD7 NAP 0.000000598 0.56706 32.0896
365 2WD7 VGD 0.02114 0.42429 32.0896
366 2VZ0 NAP 0.000001274 0.41158 32.0896
367 2VZ0 D64 0.000001274 0.41158 32.0896
368 1AE1 NAP 0.0000000000239 0.61506 32.6007
369 4K26 NDP 0.00000000004898 0.71636 32.6389
370 4K26 SFF 0.00000000001202 0.68648 32.6389
371 1E3W NAD 0.000000002007 0.6599 32.6389
372 4NBW NAD 0.000000009774 0.64501 32.6848
373 3CH6 311 0.00000000002973 0.55615 32.9861
374 3CH6 NAP 0.00000000002973 0.55615 32.9861
375 5ITV NAI 0.000000002544 0.64964 33.6806
376 2AG5 NAD 0.000000008077 0.5282 33.7398
377 1XKQ NDP 0.000000000374 0.66921 34.0278
378 3WXB NDP 0.000000000002499 0.76662 34.0502
379 4FN4 NAD 0.000000001702 0.66274 34.252
380 5EPO NAP 0.00000001951 0.62089 34.7328
381 5EPO TUD 0.01726 0.41342 34.7328
382 2Q2V NAD 0.0000000003091 0.67233 34.902
383 1GEG NAD 0.0000000002559 0.69524 35.1562
384 2CFC NAD 0.0000000006532 0.68594 35.2
385 2CFC KPC 0.0002564 0.54016 35.2
386 1EDO NAP 0.004771 0.42984 35.2459
387 2WSB NAD 0.0000000004127 0.61053 35.4331
388 2B4Q NAP 0.0000000002596 0.695 35.5072
389 4NBU NAI 0.0000000006191 0.67351 35.6
390 3NUG NAD 0.000000008106 0.63007 35.6275
391 4CQM NAP 0.000000004141 0.64748 35.6557
392 1NFQ NAI 0.0000000002321 0.57966 35.7692
393 5T2U NAP 0.00000000006171 0.69873 35.8871
394 4ZA2 NAD 0.0000000001163 0.71603 35.9684
395 1O5I NAD 0.0000004046 0.62121 36.1446
396 2ZAT NAP 0.0000000006497 0.67926 36.1538
397 1IY8 NAD 0.00000000026 0.68817 36.3296
398 1ZEM NAD 0.00000008686 0.61212 36.6412
399 4ITU NAI 0.000000003132 0.6344 36.803
400 4ITU 1HS 0.000000000703 0.61049 36.803
401 1YXM ADE 0.0001667 0.53681 37.5
402 1XG5 NAP 0.0000000000154 0.73591 37.6344
403 1XHL NDP 0.0005335 0.43533 37.8472
404 2AE2 NAP 0.00000000001663 0.67575 38.0769
405 2AE2 PTO 0.00000000001663 0.67575 38.0769
406 3AY6 NAI 0.000000002655 0.61543 38.29
407 3AY6 BGC 0.00000002122 0.52641 38.29
408 2JAP NDP 0.0000000001114 0.70249 38.4615
409 2JAP J01 0.0007655 0.5042 38.4615
410 3A28 NAD 0.0000000002104 0.6986 38.7597
411 2JAH NDP 0.0000000002316 0.69012 38.8664
412 3OID NDP 0.000000004277 0.62929 39.9225
413 3OID TCL 0.008928 0.45171 39.9225
414 3AI3 SOL 0.01261 0.44343 40.6844
415 2GDZ NAD 0.000394 0.43707 41.1985
416 1GEE NAD 0.000000007721 0.63679 41.7625
417 1Q7B NAP 0.0000001797 0.58279 46.3115
418 3D3W NAP 0.00000000000915 0.72999 46.7213
419 1PR9 NAP 0.0001241 0.45941 46.7213
Pocket No.: 2; Query (leader) PDB : 4J7U; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4j7u.bio1) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4J7U; Ligand: NAP; Similar sites found: 419
This union binding pocket(no: 3) in the query (biounit: 4j7u.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1FK8 NAD 0.0000000005499 0.71087 0.694444
2 2HJR APR 0.0002976 0.47652 1.04167
3 1GY8 NAD 0.000001303 0.54426 1.73611
4 4PVD NDP 0.000009323 0.52789 1.73611
5 2Q1W NAD 0.000003038 0.52174 1.73611
6 1X87 NAD 0.00108 0.45207 1.73611
7 3WLE NAD 0.0009812 0.41971 1.73611
8 3V1Y NAD 0.003914 0.41906 1.73611
9 3B20 NAD 0.008405 0.41038 1.73611
10 4EYG VNL 0.04583 0.40165 1.73611
11 4K7O EKZ 0.0212 0.43 1.78571
12 2XVM SAH 0.001573 0.47227 2.01005
13 2FR1 NDP 0.0000002174 0.56965 2.05761
14 1RKX NAD 0.0000003407 0.56692 2.08333
15 4OOE NDP 0.0008787 0.446 2.08333
16 1GUZ NAD 0.001488 0.43073 2.08333
17 2X7I CIT 0.01761 0.42703 2.08333
18 2PUZ NIG 0.04174 0.41456 2.08333
19 3GGO NAI 0.001404 0.40343 2.08333
20 3GGO ENO 0.001404 0.40343 2.08333
21 1G55 SAH 0.02147 0.403 2.08333
22 4CJX NAP 0.01172 0.40164 2.08333
23 2G5C NAD 0.003713 0.41228 2.13523
24 3A27 SAM 0.006509 0.43038 2.20588
25 3WV8 ATP 0.002731 0.4445 2.29358
26 2VT3 ATP 0.01606 0.42528 2.32558
27 3ORF NAD 0.000002325 0.54339 2.39044
28 2VUT NAD 0.001797 0.44925 2.43056
29 1TI7 NAP 0.002335 0.4441 2.43056
30 2EXX NAP 0.0003153 0.44288 2.43056
31 1V59 NAD 0.01127 0.4332 2.43056
32 4ZNO SUC 0.01427 0.43142 2.43056
33 5DN9 NAD 0.000936 0.42786 2.43056
34 1DNP MHF 0.03062 0.42649 2.43056
35 5FA5 MTA 0.01148 0.42538 2.43056
36 1HYH NAD 0.002799 0.41465 2.43056
37 4N9Z V3L 0.04772 0.40549 2.43056
38 1Y8Q ATP 0.01201 0.40369 2.43056
39 4DYG MES 0.03016 0.4132 2.45902
40 2F1K NAP 0.0004323 0.45878 2.50896
41 4JK3 NAD 0.007228 0.40798 2.7027
42 4ZRN NAD 0.0000006696 0.54221 2.77778
43 2C5A NAD 0.0000006622 0.47051 2.77778
44 2C5A GDC 0.0000006622 0.47051 2.77778
45 2I3G NAP 0.000175 0.4615 2.77778
46 4ZRN UPG 0.000004178 0.46058 2.77778
47 1YS4 NAP 0.0009461 0.45815 2.77778
48 4D3F NAP 0.001607 0.44792 2.77778
49 2PZM NAD 0.0000843 0.44316 2.77778
50 2PZM UDP 0.0000843 0.44316 2.77778
51 4DPL NAP 0.0008664 0.43727 2.77778
52 5CG1 NAD BBN 0.00000224 0.43461 2.77778
53 4RDH AMP 0.01095 0.42641 2.77778
54 4E5N NAD 0.001868 0.42149 2.77778
55 2B4R NAD 0.001922 0.421 2.77778
56 4D79 ATP 0.01136 0.41895 2.77778
57 4XQC NAD 0.0003514 0.41815 2.77778
58 2JJQ SAH 0.02185 0.41489 2.77778
59 4DMG SAM 0.02742 0.41327 2.77778
60 4XQC 13D 0.0004986 0.41008 2.77778
61 4RDI ATP 0.01828 0.40917 2.77778
62 1U1I NAD 0.002912 0.40698 2.77778
63 2GZ3 NAP 0.0003181 0.40463 2.77778
64 5A7Y SAH 0.04655 0.40461 2.77778
65 1ZH8 NAP 0.008683 0.40225 2.77778
66 2B4R AES 0.006658 0.40224 2.77778
67 4AZT SAM 0.02614 0.40177 2.77778
68 2VDV SAM 0.006444 0.44158 2.84553
69 1ORR NAD 0.000001402 0.53441 2.88184
70 3GDH SAH 0.01466 0.40248 2.90456
71 3EGI ADP 0.02051 0.43175 2.91262
72 1P77 ATR 0.04954 0.41037 2.94118
73 1NYT NAP 0.002523 0.42987 2.95203
74 5BW4 SAM 0.0202 0.41012 2.99625
75 1QG6 TCL 0.00000004791 0.5443 3.06513
76 1QG6 NAD 0.00000004791 0.5443 3.06513
77 1HDO NAP 0.00001151 0.4963 3.125
78 5H81 NAP 0.002902 0.43649 3.125
79 2GCG NDP 0.002472 0.42187 3.125
80 3ICS ADP 0.0255 0.4149 3.125
81 4XYB NDP 0.001955 0.41342 3.125
82 3VSE SAH 0.03081 0.41065 3.125
83 4LWP SAH 0.02099 0.40631 3.125
84 3ICT ADP 0.03801 0.4059 3.125
85 4TQ3 GPP 0.04176 0.40376 3.125
86 5EPA AKG 0.03464 0.41909 3.22581
87 3I6B KDO 0.01472 0.43972 3.33333
88 2DC1 NAD 0.0001201 0.47818 3.38983
89 4EUE NAI 0.00000004807 0.59475 3.47222
90 2V6G NAP 0.000001144 0.54646 3.47222
91 5IN4 6CK 0.0002934 0.47896 3.47222
92 5IN4 NAP 0.0003283 0.47738 3.47222
93 5IN4 GDP 0.0003512 0.47515 3.47222
94 5KOD IAC 0.02755 0.42804 3.47222
95 1OC2 NAD 0.00001645 0.42636 3.47222
96 1OC2 TDX 0.00001645 0.42636 3.47222
97 2J6U DGT 0.03771 0.4095 3.47222
98 1X7D NAD 0.005182 0.40895 3.47222
99 4JBI NDP 0.009135 0.40624 3.47222
100 1R18 SAH 0.0159 0.40352 3.52423
101 4GLL NAD 0.000002508 0.46139 3.56083
102 3FUU ADN 0.01364 0.41217 3.69004
103 2DT5 NAD 0.005098 0.40923 3.79147
104 2UYQ SAM 0.008944 0.45414 3.81944
105 3O7W SAM 0.003871 0.45268 3.81944
106 1CER NAD 0.001209 0.44025 3.81944
107 3I6I NDP 0.0004044 0.42863 3.81944
108 4MDH NAD 0.002232 0.42637 3.81944
109 5MDH NAD 0.002866 0.42194 3.81944
110 4GKV NAD 0.001352 0.41938 3.81944
111 3GFB NAD 0.003436 0.41872 3.81944
112 1GQ2 NAP 0.003526 0.41568 3.81944
113 3VPH NAD 0.002099 0.41461 3.81944
114 3VPH OXM 0.001861 0.41191 3.81944
115 4R5M NAP 0.004776 0.41037 3.81944
116 3JV7 NAD 0.004321 0.40967 3.81944
117 4YMH SAH 0.01548 0.40677 3.81944
118 5X20 NAD 0.01294 0.40486 3.81944
119 1OPK MYR 0.0269 0.40407 3.81944
120 4R5M 4NO 0.006463 0.40048 3.81944
121 2BZG SAH 0.0207 0.4066 3.87931
122 2CUL FAD 0.003263 0.40297 3.87931
123 2DFV NAD 0.001328 0.43558 4.03458
124 1EQ2 NAP 0.000003481 0.53194 4.16667
125 2X6T NAP 0.000006614 0.52092 4.16667
126 5F5N NAD 0.00003324 0.50499 4.16667
127 1RPN NDP 0.00001316 0.48729 4.16667
128 1E5Q NDP 0.0007027 0.44382 4.16667
129 1BW9 NAD 0.002462 0.43968 4.16667
130 4RQU NAD 0.00137 0.43218 4.16667
131 1C1X NAD 0.002478 0.42731 4.16667
132 5CAE COA 0.004423 0.42238 4.16667
133 1OHE ACE ALA SEP PRO 0.0324 0.42071 4.16667
134 1YB5 NAP 0.001981 0.41321 4.16667
135 5LD5 NAD 0.00898 0.41183 4.16667
136 1P0F NAP 0.003002 0.41107 4.16667
137 5GZ6 NDP 0.01686 0.40508 4.16667
138 3C3Y SAH 0.00756 0.42405 4.21941
139 2YLN CYS 0.04728 0.41241 4.24028
140 4K28 NAD 0.002536 0.42977 4.46097
141 2DKN NAI 0.00000000002228 0.74483 4.51389
142 1Y1P NMN AMP PO4 0.00002961 0.52029 4.51389
143 5JAQ NAI 0.00000144 0.51089 4.51389
144 4OHU NAD 0.0000004891 0.46802 4.51389
145 4OHU 2TK 0.0000004891 0.46802 4.51389
146 1EK6 NAI 0.000002395 0.45467 4.51389
147 3ABI NAD 0.0003953 0.45074 4.51389
148 1EK6 UPG 0.000004827 0.43986 4.51389
149 4CQB MLI 0.03002 0.42266 4.51389
150 1F6D UDP 0.04067 0.40774 4.51389
151 4PBG BGP 0.04963 0.4066 4.51389
152 3L4S NAD 0.003953 0.40649 4.51389
153 3L4S 3PG 0.004449 0.40229 4.51389
154 3SJU NDP 0.000000003486 0.64432 4.6595
155 4II2 ATP 0.01006 0.4153 4.81928
156 1VM6 NAD 0.001249 0.44276 4.82456
157 4R1S NAP 0.000002173 0.55412 4.86111
158 5E8J SAH 0.0006361 0.49195 4.86111
159 5JE8 NAD 0.002953 0.42698 4.86111
160 5A1S FLC 0.03825 0.41548 4.86111
161 1V8B ADN 0.02842 0.4091 4.86111
162 1MV8 NAD 0.009016 0.40399 4.86111
163 2GUD BMA 0.04251 0.4086 4.91803
164 5TWJ SAM 0.01076 0.41112 4.93827
165 2PXX SAH 0.01602 0.40892 5.11628
166 5LOG SAH 0.0212 0.40326 5.15021
167 5T9F TYR 0.0007731 0.42107 5.16605
168 5T9F NAP 0.001014 0.41919 5.16605
169 3A4V NAD 0.0000005195 0.53794 5.20833
170 3A4V PYR 0.0000005195 0.53794 5.20833
171 2YY7 NAD 0.000001117 0.47079 5.20833
172 1KEW TYD 0.00001602 0.44109 5.20833
173 1KEW NAD 0.00001659 0.43835 5.20833
174 1VL0 NAI 0.000004143 0.43439 5.20833
175 1N7G GDR 0.00001958 0.42366 5.20833
176 3OA2 NAD 0.003608 0.41527 5.20833
177 1F06 NDP 0.002952 0.41375 5.20833
178 3G89 SAM 0.008124 0.43653 5.22088
179 1QPR PHT 0.03861 0.42098 5.28169
180 4NEC SAH 0.008135 0.43275 5.30303
181 3KB6 NAD 0.0009046 0.44239 5.55556
182 5KKA 6V0 0.0005258 0.44007 5.55556
183 1EZ4 NAD 0.001442 0.43707 5.55556
184 2YX1 SFG 0.01 0.43199 5.55556
185 3PT9 SAH 0.007883 0.42645 5.55556
186 4XZ3 COA 0.004981 0.42304 5.55556
187 1PZG A3D 0.002376 0.40371 5.55556
188 4LS7 1X9 0.03571 0.40099 5.55556
189 1WY7 SAH 0.007174 0.41898 5.7971
190 1PL6 NAD 0.001979 0.44735 5.90278
191 1PL6 572 0.001027 0.42892 5.90278
192 3OFK SAH 0.009012 0.42705 5.90278
193 1D1T NAD 0.00127 0.42539 5.90278
194 4JX1 CAM 0.02213 0.41675 5.90278
195 5UAV NDP 0.001449 0.41359 5.90278
196 5UAV TFB 0.001449 0.41359 5.90278
197 1DJN ADP 0.01033 0.40915 5.90278
198 1US2 XYP XYP XYP XYP 0.04764 0.40758 5.90278
199 5THY SAH 0.01535 0.40693 5.90278
200 1LJ8 NAD 0.01476 0.40498 5.90278
201 1BXK NAD 0.0000009255 0.55945 5.91549
202 4TQG NDP 0.000000606 0.47258 6.25
203 1I9G SAM 0.007699 0.42058 6.25
204 3X27 TRP 0.04181 0.41068 6.25
205 1WP4 NDP 0.006276 0.40803 6.25
206 2Q46 NAP 0.000001005 0.55802 6.32411
207 3GU3 SAH 0.01313 0.43375 6.33803
208 3ZCB ATP 0.03539 0.40426 6.56566
209 1EJ0 SAM 0.002168 0.45289 6.66667
210 1ZQ9 SAM 0.01352 0.41538 6.66667
211 4XDY NAI 0.01099 0.40041 6.80473
212 3TL1 JRO 0.02872 0.42362 6.91824
213 4U7W NDP 0.0000001412 0.5977 6.94444
214 2DBZ NAP 0.0002249 0.46368 6.94444
215 1KYQ NAD 0.004539 0.44139 6.94444
216 5W4W 9WG 0.007287 0.4158 6.94444
217 3A25 SAM 0.01334 0.41565 6.94444
218 4DCM SAM 0.0227 0.41077 6.94444
219 1GT6 OLA 0.02768 0.40968 6.94444
220 4KBA 1QM 0.04871 0.40705 6.94444
221 5HJM MTA 0.01916 0.4053 6.94444
222 5KO1 6UY 0.03596 0.40084 6.94444
223 1ZBQ NAD 0.000000003816 0.63689 7.03364
224 2D2F ADP 0.04775 0.40613 7.2
225 3WMX NAD 0.000001345 0.56276 7.29167
226 5FI3 NAP 0.002389 0.41985 7.29167
227 5U5G NAP 0.003292 0.41687 7.29167
228 4KRG SAH 0.01776 0.41282 7.29167
229 1NVM NAD 0.005658 0.40273 7.29167
230 2XYQ SAH 0.006808 0.42946 7.37705
231 4OBW SAM 0.0245 0.40311 7.393
232 2FOI JPA 0.009296 0.44163 7.43494
233 1H5Q NAP 0.00000001413 0.62068 7.54717
234 1I36 NAP 0.006657 0.42043 7.57576
235 3MJE NDP 0.0000001676 0.58399 7.63889
236 5DOZ NDP 0.00263 0.41092 7.63889
237 1ZMD NAI 0.008514 0.40753 7.63889
238 5F91 5WJ 0.04756 0.40411 7.63889
239 2C29 NAP 0.000005151 0.47815 8.01187
240 2C29 DQH 0.00001563 0.46243 8.01187
241 1JAY NAP 0.01362 0.40653 8.01887
242 2PK3 A2R 0.00002074 0.54233 8.33333
243 1J49 NAD 0.003806 0.41434 8.33333
244 2VYN NAD 0.004301 0.4122 8.33333
245 3A4T SFG 0.01606 0.40333 8.39416
246 1N5D NDP 0.00000000001074 0.74199 8.68056
247 1WMA AB3 0.00000000002628 0.64994 8.68056
248 1WMA NDP 0.00000000002628 0.64994 8.68056
249 4PIV NDP 0.000007564 0.51456 8.68056
250 1WDK NAD 0.009457 0.41084 8.68056
251 3HQP OXL 0.04208 0.40634 8.68056
252 1NNU NAD 0.00000108 0.40668 8.73362
253 1NNU TCT 0.000001138 0.40419 8.73362
254 5MSO NAP 0.0000002588 0.59245 9.02778
255 2HK9 ATR 0.002405 0.47242 9.02778
256 2HK9 NAP 0.003935 0.41896 9.02778
257 2ZWA SAH 0.01453 0.40528 9.06475
258 2WYV NAD 0.000001708 0.54415 9.1954
259 3H4V DVP 0.0000002865 0.52389 9.375
260 3H4V NAP 0.0000007819 0.51288 9.375
261 5F8F SFG 0.006451 0.4377 9.375
262 3A06 NDP 0.001524 0.41745 9.375
263 3A06 FOM 0.001452 0.41356 9.375
264 1FAO 4IP 0.04009 0.41553 9.52381
265 4LO2 GAL BGC 0.04265 0.40542 9.52381
266 4QTU SAM 0.007552 0.42407 9.62963
267 3T7S SAM 0.01046 0.42065 9.70149
268 1SQF SAM 0.003234 0.4447 9.72222
269 5HWK BEZ 0.03138 0.41987 9.72222
270 5KVS NAP 0.005444 0.4185 9.72222
271 1KYZ SAH 0.01773 0.41286 9.72222
272 3QV1 NAD 0.003649 0.4231 9.7561
273 1EYQ NAR 0.04887 0.40697 10.0694
274 1XTT U5P 0.01155 0.42525 10.1852
275 3H8V ATP 0.0009185 0.47044 10.7639
276 5L95 AMP 0.0008047 0.46901 10.7639
277 1O6Z NAD 0.0004152 0.4665 10.7639
278 4WA2 SIA GAL NAG 0.04878 0.41075 10.7639
279 1CKM GTP 0.04653 0.40814 10.7639
280 4FOU C2E 0.04417 0.40249 11.3636
281 1LLU NAD 0.002706 0.40817 11.4583
282 2PV7 NAD 0.001311 0.43581 12.1528
283 3GRU AMP 0.00893 0.41193 12.1528
284 4NBT NAD 0.0000000002008 0.7065 12.5
285 2NNJ 225 0.02005 0.42803 12.5
286 4JLS 3ZE 0.03217 0.42119 12.5
287 5MPT SAH 0.007684 0.42698 12.8472
288 1LSS NAD 0.003596 0.43559 12.8571
289 3LU1 NAD 0.000000385 0.56972 13.1944
290 4O1M NAD 0.0000001355 0.58764 13.8889
291 2CVQ NDP 0.001628 0.42916 13.8889
292 1W73 NAP 0.0000001077 0.62039 14.5695
293 1W8D NAP 0.0000001185 0.61859 14.5695
294 4J1Q NDP 0.000002163 0.45238 14.5833
295 3VYW SAM 0.01565 0.40655 14.5833
296 1L3I SAH 0.01189 0.40138 15.625
297 5L4L NAP 0.0001793 0.48215 15.9722
298 5L4L 7OX 0.001057 0.41624 15.9722
299 1DTL BEP 0.02389 0.41638 16.1491
300 4Q9N NAI 0.00000001525 0.52448 16.443
301 1W6U NAP 0.00000005648 0.63241 16.6667
302 4HXY NDP 0.00000006984 0.59369 17.3516
303 4HXY ACA 0.002366 0.44095 17.3516
304 1GZ6 NAI 0.00000009124 0.58917 17.3611
305 5LUB 3Y7 0.03906 0.41585 18.3206
306 4FC7 COA 0.00000003937 0.55249 19.1336
307 4FC7 NAP 0.00000003937 0.55249 19.1336
308 3O26 NDP 0.000000000006218 0.75903 20.1389
309 5L53 NAP 0.00000002049 0.66553 20.8333
310 3RJ5 NAD 0.000000003341 0.60687 22.0472
311 2PD4 DCN 0.00000003585 0.58457 22.1818
312 2PD4 NAD 0.00000003741 0.5839 22.1818
313 5L4S 6KX 0.000000000005378 0.71123 22.9167
314 5L4S NAP 0.000000000005378 0.71123 22.9167
315 3VZS NAP 0.00000005478 0.5378 23.3463
316 3VZS CAA 0.0000005166 0.44527 23.3463
317 5GT9 NAP 0.000000001702 0.65643 26.9962
318 3QWI NAP 0.000000002169 0.64628 28.4722
319 3QWI CUE 0.000000003707 0.59105 28.4722
320 1U7T NAD 0.000000009577 0.64537 28.8194
321 1U7T TDT 0.000000006393 0.58309 28.8194
322 4D42 W0I 0.00000005518 0.5581 28.8194
323 4D42 NAP 0.00000005518 0.5581 28.8194
324 4CME NAP 0.0000002699 0.58093 29.8611
325 4CLO NAP 0.0000003802 0.58015 29.8611
326 4CM9 NAP 0.0000002855 0.57485 29.8611
327 3JQA NAP 0.0000005639 0.57316 29.8611
328 5JDC NAP 0.0000004524 0.57192 29.8611
329 4CM8 NAP 0.0000004622 0.57155 29.8611
330 4CM4 NAP 0.0000005215 0.56944 29.8611
331 3BMQ NAP 0.000000417 0.56835 29.8611
332 4CLR NAP 0.0000005597 0.56821 29.8611
333 5JCJ NAP 0.0000005693 0.56792 29.8611
334 3JQ8 NAP 0.0000004555 0.56683 29.8611
335 3JQ9 NAP 0.0000004584 0.56672 29.8611
336 5JDI NAP 0.0000006484 0.56565 29.8611
337 3JQF NAP 0.0000004914 0.56553 29.8611
338 3BMO NAP 0.0000006816 0.56478 29.8611
339 3JQG NAP 0.0000009784 0.5634 29.8611
340 4CMI NAP 0.0000007614 0.56285 29.8611
341 3BMN NAP 0.000000583 0.5626 29.8611
342 3JQB NAP 0.000001125 0.56093 29.8611
343 3JQ7 NAP 0.000002004 0.55069 29.8611
344 5K6A NAP 0.0000002487 0.48381 29.8611
345 5JCJ 6JM 0.01861 0.43409 29.8611
346 5JDI 6JO 0.02355 0.42934 29.8611
347 3JQA DX4 0.01566 0.41823 29.8611
348 4CME KTZ 0.04332 0.40628 29.8611
349 3OJF NDP 0.00000001571 0.5977 30.2083
350 4YAG NAI 0.000000008888 0.57393 30.2083
351 3OJF IMJ 0.00000002902 0.561 30.2083
352 4O0L NDP 0.000000004327 0.64067 30.5455
353 1VL8 NAP 0.0000000001511 0.68406 30.7116
354 5THQ NDP 0.0000000001716 0.5718 30.8824
355 3AFN NAP 0.0000000002034 0.58839 31.0078
356 1JA9 NDP 0.001084 0.45539 31.0219
357 4QED NAP 0.0000001111 0.59104 31.25
358 1MXH DHF 0.000000416 0.5334 31.5217
359 1MXH NAP 0.0000005554 0.52899 31.5217
360 1E6W NAD 0.000000002836 0.65398 31.5972
361 4OSP NAP 0.0000000002391 0.70346 31.9392
362 4OSP 2V4 0.02477 0.4272 31.9392
363 1XSE NDP 0.000000000007529 0.68748 31.9444
364 2WD7 NAP 0.000000598 0.56706 32.0896
365 2WD7 VGD 0.02114 0.42429 32.0896
366 2VZ0 NAP 0.000001274 0.41158 32.0896
367 2VZ0 D64 0.000001274 0.41158 32.0896
368 1AE1 NAP 0.0000000000239 0.61506 32.6007
369 4K26 NDP 0.00000000004898 0.71636 32.6389
370 4K26 SFF 0.00000000001202 0.68648 32.6389
371 1E3W NAD 0.000000002007 0.6599 32.6389
372 4NBW NAD 0.000000009774 0.64501 32.6848
373 3CH6 311 0.00000000002973 0.55615 32.9861
374 3CH6 NAP 0.00000000002973 0.55615 32.9861
375 5ITV NAI 0.000000002544 0.64964 33.6806
376 2AG5 NAD 0.000000008077 0.5282 33.7398
377 1XKQ NDP 0.000000000374 0.66921 34.0278
378 3WXB NDP 0.000000000002499 0.76662 34.0502
379 4FN4 NAD 0.000000001702 0.66274 34.252
380 5EPO NAP 0.00000001951 0.62089 34.7328
381 5EPO TUD 0.01726 0.41342 34.7328
382 2Q2V NAD 0.0000000003091 0.67233 34.902
383 1GEG NAD 0.0000000002559 0.69524 35.1562
384 2CFC NAD 0.0000000006532 0.68594 35.2
385 2CFC KPC 0.0002564 0.54016 35.2
386 1EDO NAP 0.004771 0.42984 35.2459
387 2WSB NAD 0.0000000004127 0.61053 35.4331
388 2B4Q NAP 0.0000000002596 0.695 35.5072
389 4NBU NAI 0.0000000006191 0.67351 35.6
390 3NUG NAD 0.000000008106 0.63007 35.6275
391 4CQM NAP 0.000000004141 0.64748 35.6557
392 1NFQ NAI 0.0000000002321 0.57966 35.7692
393 5T2U NAP 0.00000000006171 0.69873 35.8871
394 4ZA2 NAD 0.0000000001163 0.71603 35.9684
395 1O5I NAD 0.0000004046 0.62121 36.1446
396 2ZAT NAP 0.0000000006497 0.67926 36.1538
397 1IY8 NAD 0.00000000026 0.68817 36.3296
398 1ZEM NAD 0.00000008686 0.61212 36.6412
399 4ITU NAI 0.000000003132 0.6344 36.803
400 4ITU 1HS 0.000000000703 0.61049 36.803
401 1YXM ADE 0.0001667 0.53681 37.5
402 1XG5 NAP 0.0000000000154 0.73591 37.6344
403 1XHL NDP 0.0005335 0.43533 37.8472
404 2AE2 NAP 0.00000000001663 0.67575 38.0769
405 2AE2 PTO 0.00000000001663 0.67575 38.0769
406 3AY6 NAI 0.000000002655 0.61543 38.29
407 3AY6 BGC 0.00000002122 0.52641 38.29
408 2JAP NDP 0.0000000001114 0.70249 38.4615
409 2JAP J01 0.0007655 0.5042 38.4615
410 3A28 NAD 0.0000000002104 0.6986 38.7597
411 2JAH NDP 0.0000000002316 0.69012 38.8664
412 3OID NDP 0.000000004277 0.62929 39.9225
413 3OID TCL 0.008928 0.45171 39.9225
414 3AI3 SOL 0.01261 0.44343 40.6844
415 2GDZ NAD 0.000394 0.43707 41.1985
416 1GEE NAD 0.000000007721 0.63679 41.7625
417 1Q7B NAP 0.0000001797 0.58279 46.3115
418 3D3W NAP 0.00000000000915 0.72999 46.7213
419 1PR9 NAP 0.0001241 0.45941 46.7213
Pocket No.: 4; Query (leader) PDB : 4J7U; Ligand: YTZ; 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: 4j7u.bio1) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4J7U; Ligand: NAP; 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: 4j7u.bio2) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4J7U; Ligand: YTZ; 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: 4j7u.bio2) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4J7U; Ligand: YTZ; Similar sites found: 20
This union binding pocket(no: 7) in the query (biounit: 4j7u.bio2) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5C2N NAG 0.04587 0.41504 None
2 5XNA SHV 0.04292 0.41474 1.38889
3 1P4A PCP 0.01866 0.41178 2.10526
4 3G2O SAM 0.02702 0.40109 2.43056
5 3T4L ZEA 0.01889 0.41153 2.59259
6 2OKL BB2 0.02564 0.40508 2.7027
7 1NVT NAP 0.0146 0.40003 2.77778
8 5GZ6 7C3 0.01456 0.40261 4.16667
9 5FTW SAH 0.01887 0.40284 5.07812
10 1VBO MAN MAN MAN 0.03845 0.41101 6.71141
11 2R2N KYN 0.03614 0.4003 6.94444
12 2YY8 MTA 0.03972 0.4049 6.96517
13 5EY0 GTP 0.01468 0.43119 8.0292
14 2UVO NDG 0.04195 0.40493 8.18713
15 2UVO NAG 0.04195 0.40493 8.18713
16 4C4A SAH 0.02173 0.40275 9.72222
17 4HBM 0Y7 0.0289 0.41564 10.8333
18 5HBN RPI 0.04514 0.40886 12.1795
19 1Z0N BCD 0.04734 0.41687 14.5833
20 4CMI M4V 0.03451 0.40482 29.8611
Pocket No.: 8; Query (leader) PDB : 4J7U; Ligand: NAP; Similar sites found: 20
This union binding pocket(no: 8) in the query (biounit: 4j7u.bio2) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5C2N NAG 0.04587 0.41504 None
2 5XNA SHV 0.04292 0.41474 1.38889
3 1P4A PCP 0.01866 0.41178 2.10526
4 3G2O SAM 0.02702 0.40109 2.43056
5 3T4L ZEA 0.01889 0.41153 2.59259
6 2OKL BB2 0.02564 0.40508 2.7027
7 1NVT NAP 0.0146 0.40003 2.77778
8 5GZ6 7C3 0.01456 0.40261 4.16667
9 5FTW SAH 0.01887 0.40284 5.07812
10 1VBO MAN MAN MAN 0.03845 0.41101 6.71141
11 2R2N KYN 0.03614 0.4003 6.94444
12 2YY8 MTA 0.03972 0.4049 6.96517
13 5EY0 GTP 0.01468 0.43119 8.0292
14 2UVO NAG 0.04195 0.40493 8.18713
15 2UVO NDG 0.04195 0.40493 8.18713
16 4C4A SAH 0.02173 0.40275 9.72222
17 4HBM 0Y7 0.0289 0.41564 10.8333
18 5HBN RPI 0.04514 0.40886 12.1795
19 1Z0N BCD 0.04734 0.41687 14.5833
20 4CMI M4V 0.03451 0.40482 29.8611
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