Receptor
PDB id Resolution Class Description Source Keywords
4GH5 1.6 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF S-2-HYDROXYPROPYL COENZYME M DEHYDROGEN HPCDH) XANTHOBACTER AUTOTROPHICUS ROSSMANN FOLD OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF S-HPCDH REVEAL DETERMINANTS O STEREOSPECIFICITY FOR R- AND S-HYDROXYPROPYL-COENZY DEHYDROGENASES. ARCH.BIOCHEM.BIOPHYS. V. 533 62 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT D:302;
A:302;
B:302;
C:302;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
NAD D:301;
B:301;
C:301;
A:301;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ITU 1.6 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF S-2-HYDROXYPROPYL COENZYME M DEHYDROGEN HPCDH) BOUND TO S-HPC AND NADH XANTHOBACTER AUTOTROPHICUS ROSSMANN FOLD OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURES OF S-HPCDH REVEAL DETERMINANTS O STEREOSPECIFICITY FOR R- AND S-HYDROXYPROPYL-COENZY DEHYDROGENASES. ARCH.BIOCHEM.BIOPHYS. V. 533 62 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 4GH5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 4ITU - 1HS C5 H12 O4 S2 C[C@@H](CS....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 4GH5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 4ITU - 1HS C5 H12 O4 S2 C[C@@H](CS....
50% Homology Family (89)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 1E6W - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1VL8 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 3A28 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1X7G - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
5 2RH4 Ki = 15 uM EMO C15 H10 O5 Cc1cc2c(c(....
6 2RHR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 3RI3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
8 2RHC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
9 1Q7B Kd = 3.5 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
10 1Q7C - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
11 1GEG - GLC C6 H12 O6 C([C@@H]1[....
12 3VZS - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
13 4N5N - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
14 4QEC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
15 4QED - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
16 3AY6 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 3AUU - BGC C6 H12 O6 C([C@@H]1[....
18 3AUT - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
19 4BNT ic50 = 137.69 uM 36E C8 H5 F3 N2 c1ccc2c(c1....
20 4BNY ic50 = 0.08 uM 36I C16 H15 N3 O S c1ccc(cc1)....
21 4BNV ic50 = 0.03 uM Q7U C15 H13 Cl N4 O Cn1c2ccccc....
22 4BO1 ic50 = 0.05 uM NKH C18 H15 Cl N2 O3 COc1cc(c(c....
23 4AG3 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
24 4BO2 ic50 = 0.05 uM 36K C17 H18 N4 O2 CCn1c2cccc....
25 4BNX ic50 = 0.02 uM O74 C20 H14 Cl N3 O c1ccc2c(c1....
26 4BNU ic50 = 0.02 uM 9KQ C16 H11 N5 c1ccc(cc1)....
27 4BO3 ic50 = 0.3 uM U98 C12 H10 F3 N3 O2 S c1cc(cc(c1....
28 4NBT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
29 1H5Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
30 1IPE - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
31 1IPF - TNE C8 H13 N O CN1[C@H]2C....
32 1U7T Ki = 425 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
33 1NFF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
34 1NFR - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
35 1XKQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
36 2ZAT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
37 1O5I - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
38 2ZTL - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
39 2ZTU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 2ZTM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 5EN4 Ki = 64 nM 5Q6 C18 H12 F N O4 c1cc(c(c(c....
42 5L7T Ki = 26 nM 6QJ C19 H14 F N O3 Cc1cc(ccc1....
43 5L7W Ki = 11 nM 6QU C18 H11 F2 N O4 c1cc(c(c(c....
44 5ICM - GLC C6 H12 O6 C([C@@H]1[....
45 5JS6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 5JSF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 1ZK4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
48 1ZK0 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
49 1ZJZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50 1ZJY - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
51 3LQF - MRY C4 H10 O4 C([C@H]([C....
52 2WDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
53 4NBW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
54 1DOH Ki = 2.4 nM NID C9 H5 N O3 c1cc2c(c(c....
55 4GH5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 1CYD - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
57 1RWB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
58 1G6K - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 1GEE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
60 5EPO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
61 4URE - 1PS C8 H11 N O3 S c1cc[n+](c....
62 4URF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
63 4KWI - 1TJ C19 H12 O5 Cc1cc2c(c(....
64 4FN4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
65 2CFC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
66 3ICC - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
67 1UAY - ADN C10 H13 N5 O4 c1nc(c2c(n....
68 2B4Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
69 1IY8 Ki = 23.8 mM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70 4CR7 - MAN C6 H12 O6 C([C@@H]1[....
71 5ITV - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
72 1AHI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
73 1FMC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
74 5B4T - 3HR C4 H8 O3 C[C@H](CC(....
75 5FFF ic50 = 425 uM 5XC C8 H6 O3 c1cc2c(cc1....
76 3O03 - GCO C6 H12 O7 C([C@H]([C....
77 2DTX - BMA C6 H12 O6 C([C@@H]1[....
78 5FEU - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
79 2AG5 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
80 1JA9 Ki = 420 nM PYQ C11 H11 N O c1cc2c3c(c....
81 1AE1 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
82 1PR9 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
83 1WNT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
84 2BGM - NAJ C21 H27 N7 O14 P2 c1cc(c[n+]....
85 2GDZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
86 1UZN Kd = 11.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
87 1HDC Ki = 1 uM CBO C34 H50 O7 CC1([C@@H]....
88 3QWI ic50 = 2.8 uM CUE C15 H8 O5 c1cc2c(cc1....
89 1XHL - TNE C8 H13 N O CN1[C@H]2C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAD; Similar ligands found: 220
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NAD IBO 0.845455 0.933333
3 NHD 0.821429 0.972222
4 NAP 0.811966 0.986111
5 NAJ PYZ 0.803419 0.910256
6 NFD 0.791304 0.946667
7 NXX 0.765766 0.972603
8 DND 0.765766 0.972603
9 ZID 0.737705 0.986111
10 NAQ 0.729508 0.934211
11 NAE 0.721311 0.959459
12 NA0 0.712 0.972603
13 TAP 0.704 0.921053
14 AMP NAD 0.696 0.945946
15 NDE 0.689922 0.972603
16 NAJ 0.683333 0.972222
17 NDC 0.679389 0.934211
18 NDO 0.674603 0.958904
19 N01 0.656 0.972222
20 CNA 0.642276 0.972603
21 NBP 0.621212 0.922078
22 NAD BBN 0.609929 0.876543
23 8ID 0.609756 0.922078
24 NAD CJ3 0.601399 0.845238
25 ADP MG 0.579439 0.918919
26 A2D 0.576923 0.958333
27 ADP 0.575472 0.931507
28 NGD 0.574803 0.922078
29 BEF ADP 0.574074 0.894737
30 ADP BEF 0.574074 0.894737
31 BA3 0.566038 0.958333
32 NAD NDT 0.565789 0.755319
33 M33 0.564815 0.918919
34 ADP PO3 0.563636 0.957747
35 B4P 0.560748 0.958333
36 AP5 0.560748 0.958333
37 ATP MG 0.558559 0.918919
38 AN2 0.555556 0.918919
39 GAP 0.553571 0.932432
40 OOB 0.551724 0.972222
41 CA0 0.550459 0.932432
42 ATP 0.545455 0.931507
43 ACP 0.545455 0.906667
44 NAD TDB 0.544872 0.70297
45 ADP ALF 0.54386 0.883117
46 ALF ADP 0.54386 0.883117
47 5FA 0.540541 0.931507
48 AQP 0.540541 0.931507
49 APR 0.540541 0.931507
50 AR6 0.540541 0.931507
51 ANP MG 0.53913 0.907895
52 VO4 ADP 0.53913 0.945205
53 ADP VO4 0.53913 0.945205
54 AGS 0.535714 0.883117
55 SAP 0.535714 0.883117
56 AD9 0.535714 0.906667
57 WAQ 0.533333 0.896104
58 ABM 0.53271 0.905405
59 00A 0.529412 0.921053
60 DLL 0.529412 0.972222
61 ANP 0.526316 0.906667
62 NJP 0.526316 0.959459
63 ACQ 0.526316 0.906667
64 OAD 0.525 0.932432
65 AMP MG 0.523364 0.905405
66 ADX 0.522523 0.839506
67 5AL 0.521739 0.945205
68 A1R 0.521008 0.871795
69 9SN 0.520325 0.909091
70 AMP 0.518868 0.930556
71 A 0.518868 0.930556
72 50T 0.517857 0.893333
73 ATF 0.517241 0.894737
74 DAL AMP 0.516949 0.945205
75 3OD 0.516393 0.932432
76 1ZZ 0.516393 0.851852
77 SON 0.513514 0.92
78 PRX 0.513274 0.881579
79 SRP 0.512821 0.92
80 ADP BMA 0.512397 0.932432
81 3UK 0.512397 0.958904
82 MYR AMP 0.512195 0.851852
83 NAJ PZO 0.510949 0.909091
84 NMN 0.509434 0.875
85 AMP DBH 0.507937 0.906667
86 A22 0.504202 0.945205
87 FA5 0.504 0.945946
88 ATP A A A 0.504 0.971831
89 TYR AMP 0.5 0.945946
90 8QN 0.5 0.945205
91 NAX 0.496183 0.886076
92 PR8 0.495935 0.8625
93 PAJ 0.495868 0.873418
94 4AD 0.495868 0.933333
95 AMO 0.495868 0.92
96 ADQ 0.495868 0.932432
97 A12 0.495495 0.894737
98 AP2 0.495495 0.894737
99 ALF ADP 3PG 0.492424 0.873418
100 LA8 ALF 3PG 0.492424 0.873418
101 AHZ 0.492308 0.851852
102 YAP 0.492063 0.933333
103 FYA 0.491935 0.918919
104 AHX 0.491803 0.884615
105 4UU 0.488372 0.933333
106 5SV 0.487603 0.8375
107 TAT 0.487179 0.894737
108 APC 0.486957 0.894737
109 SRA 0.486239 0.881579
110 NAI 0.484848 0.921053
111 6V0 0.484848 0.909091
112 GTA 0.484615 0.898734
113 A A 0.483871 0.958333
114 LAD 0.483871 0.873418
115 AU1 0.482456 0.906667
116 TXE 0.481203 0.921053
117 AF3 ADP 3PG 0.481203 0.873418
118 OMR 0.481203 0.841463
119 LAQ 0.480916 0.851852
120 G3A 0.48062 0.909091
121 TXA 0.48 0.92
122 NB8 0.48 0.884615
123 ME8 0.48 0.851852
124 BIS 0.48 0.871795
125 PTJ 0.48 0.884615
126 139 0.477941 0.886076
127 LPA AMP 0.477273 0.851852
128 AR6 AR6 0.476923 0.958333
129 G5P 0.476923 0.909091
130 AFH 0.476923 0.873418
131 25L 0.47619 0.945205
132 25A 0.47541 0.958333
133 DZD 0.47482 0.897436
134 TXD 0.473684 0.921053
135 4UV 0.472868 0.933333
136 TYM 0.470149 0.945946
137 ADV 0.470085 0.894737
138 RBY 0.470085 0.894737
139 ARG AMP 0.469697 0.841463
140 4TA 0.467626 0.864198
141 48N 0.466165 0.884615
142 XAH 0.465116 0.851852
143 4UW 0.462687 0.897436
144 M24 0.461538 0.886076
145 IOT 0.459854 0.821429
146 T5A 0.456522 0.853659
147 EAD 0.455782 0.886076
148 MAP 0.455285 0.883117
149 BT5 0.453901 0.821429
150 A4P 0.452555 0.833333
151 UP5 0.451852 0.933333
152 PAP 0.445378 0.917808
153 AP0 0.445255 0.884615
154 4TC 0.445255 0.909091
155 YLP 0.444444 0.831325
156 P1H 0.443709 0.864198
157 AOC 0.442478 0.810811
158 Z5A 0.439189 0.833333
159 2A5 0.436975 0.857143
160 G A A A 0.43662 0.909091
161 COD 0.43662 0.802326
162 ADJ 0.435714 0.841463
163 YLC 0.434783 0.851852
164 YLB 0.434783 0.831325
165 U A G G 0.433566 0.921053
166 ATR 0.433333 0.90411
167 7MD 0.432836 0.851852
168 G5A 0.429752 0.790698
169 PO4 PO4 A A A A PO4 0.429688 0.943662
170 TAD 0.42963 0.873418
171 5AS 0.42735 0.770115
172 BTX 0.426573 0.831325
173 YLA 0.425532 0.831325
174 DSZ 0.425197 0.790698
175 NCN 0.424779 0.805556
176 UPA 0.42446 0.921053
177 VMS 0.424 0.8
178 54H 0.424 0.8
179 N0B 0.422819 0.853659
180 6AD 0.422764 0.85
181 AYB 0.422535 0.821429
182 7D3 0.422414 0.844156
183 YLY 0.421769 0.821429
184 TSB 0.420635 0.809524
185 ODP 0.41958 0.922078
186 AV2 0.419355 0.855263
187 FB0 0.419355 0.775281
188 A5A 0.419355 0.819277
189 NNR 0.419048 0.739726
190 A A A 0.418605 0.918919
191 LEU LMS 0.418605 0.793103
192 649 0.417266 0.775281
193 NMN AMP PO4 0.416667 0.933333
194 SSA 0.416 0.790698
195 P5A 0.415385 0.755556
196 LSS 0.414062 0.772727
197 A2R 0.412698 0.918919
198 52H 0.412698 0.790698
199 JB6 0.412214 0.896104
200 5N5 0.411215 0.783784
201 YSA 0.410448 0.811765
202 5CA 0.409449 0.790698
203 53H 0.409449 0.790698
204 ITT 0.408333 0.878378
205 7D4 0.408333 0.844156
206 NA7 0.407692 0.894737
207 5CD 0.407407 0.794521
208 0WD 0.406897 0.909091
209 A3P 0.40678 0.930556
210 AVV 0.40625 0.860759
211 RAB 0.40566 0.808219
212 ADN 0.40566 0.808219
213 XYA 0.40566 0.808219
214 FDA 0.405063 0.823529
215 GSU 0.40458 0.790698
216 7MC 0.404255 0.831325
217 NSS 0.403101 0.811765
218 6FA 0.402516 0.853659
219 NVA LMS 0.4 0.793103
220 PPS 0.4 0.817073
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ITU; Ligand: NAI; Similar sites found: 402
This union binding pocket(no: 1) in the query (biounit: 4itu.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FA8 SAM 0.003154 0.42184 None
2 3P7G MAN 0.02941 0.4153 None
3 3B1F NAD 0.000304 0.40323 1.11524
4 4NEC SAH 0.0008551 0.47009 1.13636
5 2VDV SAM 0.0009594 0.47243 1.21951
6 5E8J SAH 0.0002972 0.49721 1.48699
7 5JJR SAH 0.00862 0.41533 1.48699
8 5GM1 SAH 0.006446 0.40867 1.48699
9 5T9E NAP 0.001013 0.40026 1.48699
10 1JG3 ADN 0.004707 0.42737 1.70213
11 4EUE NAI 0.00000137 0.51687 1.85874
12 1EZ4 NAD 0.00005356 0.48412 1.85874
13 5THY SAH 0.0008283 0.45382 1.85874
14 1G55 SAH 0.001684 0.44395 1.85874
15 4MDH NAD 0.0007084 0.43596 1.85874
16 5T9F TYR 0.0005729 0.43017 1.85874
17 5T9F NAP 0.000793 0.42373 1.85874
18 5MDH NAD 0.0005105 0.40985 1.85874
19 1U3U BNF 0.002862 0.40953 1.85874
20 3L9W AMP 0.001366 0.4055 1.85874
21 4K37 SAM 0.0204 0.40428 1.85874
22 3HDY FDA 0.009886 0.40224 1.85874
23 3HDY FAD 0.01112 0.4002 1.85874
24 1J5P NAD 0.0004202 0.41585 1.97628
25 4GLL NAD 0.00000001434 0.58746 2.23048
26 1I2B NAD 0.000000453 0.56754 2.23048
27 1I2B USQ 0.001421 0.46162 2.23048
28 1I2B UPG 0.001421 0.46162 2.23048
29 1GUZ NAD 0.0001321 0.43552 2.23048
30 3TLJ SAH 0.001568 0.4347 2.23048
31 5X62 SAH 0.004235 0.43313 2.23048
32 1HYH NAD 0.0006166 0.41828 2.23048
33 1Z82 NDP 0.002153 0.4169 2.23048
34 2VVM FAD 0.002323 0.41091 2.23048
35 3SSO SAH 0.002455 0.41002 2.23048
36 2VVL FAD 0.002951 0.40803 2.23048
37 1REO FAD 0.003204 0.40464 2.23048
38 2CVQ NDP 0.001128 0.40279 2.23048
39 4XUC 43G 0.00258 0.40246 2.29358
40 4XUC SAM 0.00258 0.40246 2.29358
41 3KU0 ADE 0.04186 0.4042 2.39044
42 2QBU SAH 0.0108 0.41082 2.58621
43 1RKX NAD 0.00000002404 0.5949 2.60223
44 2X6T NAP 0.0000004336 0.52496 2.60223
45 1EQ2 NAP 0.000001642 0.50512 2.60223
46 3GGO ENO 0.0004489 0.43879 2.60223
47 3GGO NAI 0.0004489 0.43879 2.60223
48 5UAV NDP 0.0007017 0.42569 2.60223
49 5UAV TFB 0.0007017 0.42569 2.60223
50 1HDG NAD 0.001872 0.42515 2.60223
51 4D4U FUC GAL NAG 0.02734 0.41789 2.60223
52 2G5C NAD 0.0005758 0.41732 2.60223
53 4MIG G3F 0.004487 0.40754 2.60223
54 4MP8 NAD 0.002801 0.40464 2.60223
55 4R5M NAP 0.00135 0.40152 2.60223
56 4OBW SAM 0.001577 0.4491 2.72374
57 3GDH SAH 0.001108 0.4377 2.90456
58 3MJE NDP 0.0000000001548 0.6456 2.97398
59 2FR1 NDP 0.0000000006876 0.63466 2.97398
60 1SB8 UD2 0.000000008257 0.63262 2.97398
61 1SB8 NAD 0.00000001112 0.62172 2.97398
62 5IN4 NAP 0.00001849 0.55542 2.97398
63 5IN4 6CK 0.0000181 0.55542 2.97398
64 5IN4 GDP 0.00002168 0.55114 2.97398
65 4PIV NDP 0.0000001888 0.54238 2.97398
66 2JJQ SAH 0.005096 0.43709 2.97398
67 3GXO SAH 0.01077 0.42122 2.97398
68 4RQU NAD 0.0003887 0.41972 2.97398
69 4RSL FAD 0.0003961 0.41907 2.97398
70 3CMC NAD 0.004728 0.41763 2.97398
71 3KLJ FAD 0.0009264 0.41742 2.97398
72 1H82 GZZ 0.004219 0.41694 2.97398
73 1D1T NAD 0.0008473 0.41619 2.97398
74 1H82 FAD 0.003933 0.41529 2.97398
75 3WLE NAD 0.001433 0.41425 2.97398
76 3GFB NAD 0.002671 0.41321 2.97398
77 1WP4 NDP 0.0006318 0.40864 2.97398
78 2DFV NAD 0.0008626 0.40526 2.97398
79 1N4W FAD 0.004132 0.40446 2.97398
80 3LXI CAM 0.04666 0.40382 2.97398
81 3IGO ANP 0.01133 0.40381 2.97398
82 1GR0 NAD 0.00273 0.40157 2.97398
83 1X7D ORN 0.00344 0.40134 2.97398
84 1X7D NAD 0.001344 0.40076 2.97398
85 4XBA 5GP 0.02776 0.40102 3
86 2EV9 SKM 0.001788 0.40948 3.04183
87 2EV9 NAP 0.001788 0.40443 3.04183
88 1Z45 NAD 0.00000001227 0.61164 3.34572
89 3KO8 NAD 0.000000003786 0.60797 3.34572
90 1V6A TRE 0.00008257 0.55418 3.34572
91 5MSO NAP 0.0000001717 0.526 3.34572
92 3ABI NAD 0.00002947 0.48266 3.34572
93 5JAQ NAI 0.00007378 0.46576 3.34572
94 1BW9 NAD 0.0004706 0.46064 3.34572
95 1C1X NAD 0.0004577 0.44673 3.34572
96 4GKV NAD 0.0001775 0.44495 3.34572
97 1ZMD NAI 0.001171 0.43347 3.34572
98 1MV8 NAD 0.0002325 0.42069 3.34572
99 5XVK SAH 0.003398 0.42047 3.34572
100 1E5Q NDP 0.0004518 0.41872 3.34572
101 1I8T FAD 0.00157 0.41621 3.34572
102 4DPL NAP 0.002471 0.40925 3.34572
103 1DLJ NAI 0.005082 0.40628 3.34572
104 1DLJ UGA 0.005082 0.40628 3.34572
105 1BXG NAD 0.0005259 0.40613 3.34572
106 2Q7V FAD 0.003491 0.40529 3.34572
107 4M73 SAH 0.002541 0.40507 3.34572
108 1MUU NAD 0.000631 0.40321 3.34572
109 4M73 M72 0.003388 0.40158 3.34572
110 4CJX NAP 0.007531 0.40042 3.34572
111 5LD5 NAD 0.002346 0.42729 3.35196
112 1TUU AMP 0.03696 0.40518 3.50877
113 5GWX SAM 0.002104 0.42014 3.52113
114 5GWX SAR 0.002104 0.42014 3.52113
115 3CIF NAD 0.000229 0.42873 3.62117
116 3CIF G3H 0.002497 0.40419 3.62117
117 3OU2 SAH 0.004994 0.40772 3.66972
118 4ZRN NAD 0.00000001219 0.5869 3.71747
119 1WVG APR 0.00000009414 0.52759 3.71747
120 2Q1S NAI 0.000002932 0.52369 3.71747
121 4ZRN UPG 0.0000001293 0.47438 3.71747
122 3G2O SAM 0.001532 0.44967 3.71747
123 2BH9 NAP 0.004258 0.43685 3.71747
124 2EXX NAP 0.0003334 0.43495 3.71747
125 2PT9 2MH 0.0009011 0.41917 3.71747
126 2B4R NAD 0.0006279 0.41876 3.71747
127 2I7C AAT 0.0008793 0.41825 3.71747
128 2DVZ GLU 0.02213 0.41305 3.71747
129 1X87 NAD 0.0002091 0.41108 3.71747
130 4DSG UDP 0.006304 0.40933 3.71747
131 4DSG FAD 0.007065 0.40871 3.71747
132 4L8V NAP 0.001213 0.40439 3.71747
133 2B4R AES 0.001689 0.40098 3.71747
134 2DKH FAD 0.002758 0.40017 3.71747
135 2DC1 NAD 0.000229 0.42444 3.81356
136 4DMG SAM 0.007735 0.43223 4.07125
137 1N7G NDP 0.000001593 0.5594 4.08922
138 1N7G GDR 0.00000181 0.54518 4.08922
139 1UWK URO 0.00009556 0.46867 4.08922
140 1UWK NAD 0.00009556 0.46867 4.08922
141 5HJM MTA 0.002213 0.43863 4.08922
142 4YCA NDP 0.001134 0.43091 4.08922
143 2CDU FAD 0.0005222 0.43042 4.08922
144 3B1J NAD 0.001243 0.42064 4.08922
145 1JQ3 AAT 0.00133 0.41171 4.08922
146 3I6I NDP 0.0006909 0.40464 4.08922
147 1YY5 FAD 0.004537 0.40384 4.08922
148 1RSG FAD 0.004318 0.40278 4.08922
149 3OFK SAH 0.004036 0.42037 4.16667
150 2YY7 NAD 0.000000009538 0.58872 4.46097
151 2C29 NAP 0.000003375 0.52137 4.46097
152 2C29 DQH 0.00001081 0.50224 4.46097
153 5L95 AMP 0.0001894 0.48647 4.46097
154 2HYV UAP SGN IDS SGN IDS 0.003812 0.46596 4.46097
155 5MW4 5JU 0.003464 0.4044 4.46097
156 5KOK SAH 0.004323 0.42559 4.78589
157 2PZM UDP 0.000001778 0.53191 4.83271
158 2PZM NAD 0.000001778 0.53191 4.83271
159 4PVD NDP 0.0000003506 0.51482 4.83271
160 1VKO NAD 0.000293 0.43851 4.83271
161 5FTW SAH 0.002389 0.4336 4.83271
162 4OOE NDP 0.001245 0.42928 4.83271
163 1YQZ FAD 0.006084 0.40925 4.83271
164 3A4T SFG 0.0003233 0.40325 4.83271
165 4D3F NAP 0.0002518 0.40314 4.83271
166 1EK6 UPG 0.0000003439 0.5734 5.17241
167 1EK6 NAI 0.00000004645 0.46912 5.17241
168 5LW0 AR6 0.008144 0.40164 5.19481
169 1R6D NAD 0.0000003436 0.57101 5.20446
170 1R6D DAU 0.0000009492 0.55265 5.20446
171 1Y1P NMN AMP PO4 0.000005099 0.53999 5.20446
172 4D79 ATP 0.0005619 0.46959 5.20446
173 1LDM NAD 0.0001244 0.45879 5.20446
174 3A27 SAM 0.001243 0.45383 5.20446
175 1CER NAD 0.0004169 0.44836 5.20446
176 4RDH AMP 0.002448 0.44832 5.20446
177 1U1I NAD 0.000318 0.4357 5.20446
178 3LZW FAD 0.001715 0.41367 5.20446
179 3LZW NAP 0.004922 0.41218 5.20446
180 5G3U ITW 0.003464 0.4083 5.20446
181 1H2B NAJ 0.001667 0.40814 5.20446
182 5G3U FDA 0.002889 0.40524 5.20446
183 4YMH SAH 0.002564 0.43224 5.41667
184 3NJ4 AFX 0.02088 0.40981 5.51724
185 3NJ4 NAD 0.02388 0.40729 5.51724
186 2HMT NAI 0.0000238 0.43537 5.55556
187 4TQG NDP 0.00000001247 0.57466 5.57621
188 2GZ3 NAP 0.0006307 0.44035 5.57621
189 3BAZ NAP 0.004339 0.41022 5.57621
190 1DL5 SAH 0.006131 0.40147 5.57621
191 2C5A NAD 0.00000004344 0.60597 5.94796
192 4U7W NDP 0.00000008852 0.58993 5.94796
193 1E7S NAP 0.0000005029 0.53307 5.94796
194 2C5A GDC 0.00000004344 0.47142 5.94796
195 5H81 NAP 0.0009882 0.44674 5.94796
196 1LVL NAD 0.002106 0.43601 5.94796
197 4BG4 ARG 0.02606 0.41869 5.94796
198 1DSS NAD 0.0004582 0.40859 5.94796
199 3M6W SAM 0.02319 0.4016 5.94796
200 5CAE COA 0.002349 0.42413 6.3197
201 3FPF MTA 0.00156 0.41631 6.3197
202 4J4H NAI 0.002757 0.41392 6.3197
203 4J4H 1J1 0.002757 0.41392 6.3197
204 5DX8 SFG 0.005849 0.41046 6.3197
205 5DXA SFG 0.006994 0.40717 6.3197
206 5BUK FAD 0.003953 0.40612 6.3197
207 4JK3 NAD 0.0008679 0.40239 6.3197
208 2VHW NAI 0.003058 0.40211 6.3197
209 4QTU SAM 0.0004285 0.47058 6.66667
210 1GY8 NAD 0.0000001104 0.55104 6.69145
211 1NYT NAP 0.0004641 0.44989 6.69145
212 1GV0 NAD 0.00008029 0.44627 6.69145
213 4AP3 NAP 0.00713 0.40721 6.69145
214 3AYI FAD 0.005949 0.40522 6.69145
215 3AYI HCI 0.006226 0.40522 6.69145
216 5JCA NDP 0.009516 0.4029 6.69145
217 2GSD NAD 0.003046 0.40101 6.69145
218 2NXE SAM 0.005074 0.42588 6.69291
219 3EGV SAH 0.01022 0.41523 6.69291
220 3HVJ 705 0.002115 0.40916 6.78733
221 1HDO NAP 0.000004234 0.50423 6.79612
222 3A4V NAD 0.000000005622 0.61352 7.0632
223 3A4V PYR 0.000000005622 0.58388 7.0632
224 2DT5 NAD 0.0002068 0.45366 7.109
225 3RFV NAI 0.00000002214 0.56152 7.11611
226 3RFV 15L 0.0000006915 0.50498 7.11611
227 5XVQ SAH 0.003748 0.41867 7.39437
228 1V35 NAI 0.0000003928 0.55373 7.43494
229 3ORF NAD 0.0000001372 0.54103 7.43494
230 1UXG NAD 0.00007648 0.46387 7.43494
231 5F8F SFG 0.002066 0.45183 7.43494
232 3VPH OXM 0.0002256 0.44252 7.43494
233 3VPH NAD 0.000212 0.44072 7.43494
234 3LST SAH 0.02087 0.40712 7.43494
235 1Y8Q ATP 0.0004443 0.4542 7.80669
236 1LDN NAD 0.0001124 0.44441 7.80669
237 3VYW SAM 0.007386 0.41202 7.80669
238 2FZW NAD 0.003092 0.40923 7.80669
239 4OPC PGT 0.02129 0.40646 7.80669
240 4OPC FDA 0.01826 0.40646 7.80669
241 3E1T FAD 0.003885 0.40547 7.80669
242 3G5S FAD 0.002774 0.4048 7.80669
243 1BXK NAD 0.00000003626 0.55577 8.17844
244 3JV7 NAD 0.001283 0.42012 8.17844
245 5L1O 7PF 0.0326 0.41472 8.17844
246 1E6E FAD 0.001818 0.41044 8.17844
247 2NVK FAD 0.002996 0.40779 8.17844
248 3H9E NAD 0.0007777 0.40539 8.17844
249 5MGZ SAH 0.004452 0.42501 8.47458
250 1R37 NAD 0.0008613 0.41989 8.55019
251 3OA2 NAD 0.001929 0.41603 8.55019
252 2PV7 NAD 0.0004187 0.41437 8.55019
253 1OC2 NAD 0.000001126 0.55325 8.62069
254 1OC2 TDX 0.000001126 0.43079 8.62069
255 1RPN NDP 0.0000005305 0.51724 8.65672
256 1C1L GAL BGC 0.03836 0.41082 8.75912
257 4I6H 1C8 0.01711 0.40472 9.29368
258 5FJN BE2 0.004775 0.4039 9.29368
259 5FJN FAD 0.004034 0.4039 9.29368
260 1UDB NAD 0.0000001295 0.58492 9.66543
261 5L53 NAP 0.0000000003481 0.58158 9.66543
262 2F1K NAP 0.000122 0.46977 9.66543
263 4RPL FAD 0.002363 0.42834 9.66543
264 5ULP KB1 0.002446 0.4234 9.66543
265 4RPL 3UC 0.003752 0.4223 9.66543
266 2BKA NDP 0.000001664 0.49839 9.91736
267 2Q46 NAP 0.0000002467 0.53097 10.0372
268 3V1Y NAD 0.0003457 0.41607 10.0372
269 2A92 NAI 0.0005132 0.4241 10.4089
270 2VYN NAD 0.001068 0.40511 10.4089
271 3LU1 NAD 0.0000000005201 0.66402 10.4396
272 5K7U SAM 0.005009 0.42613 10.6667
273 2Q1W NAD 0.0000007371 0.52636 10.7807
274 1T26 NAI 0.0001963 0.45345 10.7807
275 1E3I CXF 0.0009319 0.406 10.9043
276 5MPT SAH 0.00008034 0.50818 11.1524
277 5FA5 MTA 0.0002026 0.49988 11.1524
278 1SAY PYR 0.001641 0.40966 11.1524
279 1PS9 FAD 0.004644 0.40062 11.1524
280 5IL1 SAM 0.009082 0.41429 11.3208
281 1KEW TYD 0.0000006511 0.55652 11.5242
282 1KEW NAD 0.000001931 0.5395 11.5242
283 3DMH SAM 0.001176 0.44714 11.8959
284 1SOW NAD 0.0001239 0.44631 11.8959
285 1A5Z NAD 0.00003506 0.43147 11.8959
286 3DMH GMP 0.001954 0.41857 11.8959
287 3WGT FAD 0.00434 0.40724 11.8959
288 3WGT QSC 0.004625 0.40703 11.8959
289 4J36 1HR 0.0044 0.40342 11.8959
290 4J36 FAD 0.002462 0.40197 11.8959
291 5JE8 NAD 0.001048 0.43544 12.2677
292 1RYI FAD 0.004621 0.4007 12.2677
293 2PWY SAH 0.000413 0.40334 12.4031
294 2I3G NAP 0.001903 0.41099 12.5
295 4HXY NDP 0.00000000004453 0.67144 12.6394
296 3NYC FAD 0.0043 0.4099 12.6394
297 1HDR NAD 0.00001793 0.42 12.7049
298 1I0Z NAI 0.00007495 0.44751 13.3829
299 1JNR FAD 0.01158 0.40603 13.3829
300 9LDT NAD 0.0001016 0.44631 13.7546
301 9LDB NAD 0.0001079 0.44538 13.7546
302 1J0X NAD 0.001815 0.418 13.7546
303 1LTH NAD 0.00004891 0.43418 14.1264
304 4W6Z 8ID 0.001982 0.40906 14.1264
305 2Y69 CHD 0.01718 0.4244 14.433
306 5L4S 6KX 0.0000000001482 0.67396 14.4981
307 5L4S NAP 0.0000000001482 0.67396 14.4981
308 1LLU NAD 0.002782 0.40127 14.4981
309 1PZG A3D 0.0001806 0.42721 14.8699
310 3ZNN FAD 0.005163 0.41064 14.8699
311 3ZNN 4WL 0.005163 0.41064 14.8699
312 2HK9 NAP 0.001027 0.40147 14.8699
313 5KKA 6V0 0.0001583 0.44839 15.9851
314 1ORR NAD 0.00000001222 0.5949 16.3569
315 2Y6Q I7T 0.003412 0.41037 16.3569
316 2Y6Q FAD 0.001289 0.40912 16.3569
317 5JE0 AZ8 0.001708 0.41275 16.5992
318 5JE0 SAH 0.001708 0.41275 16.5992
319 3O26 NDP 0.000000000005397 0.69589 19.2926
320 1LSS NAD 0.0000177 0.43642 20
321 1N5D NDP 0.00000000004764 0.66968 20.0744
322 3G89 SAM 0.0007794 0.47683 20.4461
323 1FK8 NAD 0.0000000002901 0.70319 20.6226
324 1WMA AB3 0.0000000001964 0.68168 22.8261
325 1WMA NDP 0.0000000001964 0.57874 22.8261
326 3WXB NDP 0.00000000001771 0.7125 23.7918
327 3H4V DVP 0.000000006408 0.62267 24.1636
328 3H4V NAP 0.0000000208 0.60169 24.1636
329 3JQ7 NAP 0.000000004607 0.64056 25.6506
330 4J1Q NDP 0.00000000161 0.59936 26.3941
331 1NVM NAD 0.001852 0.41143 26.3941
332 2WD7 NAP 0.000000002584 0.598 26.4925
333 1W8D NAP 0.0000000001019 0.61283 27.1375
334 1W73 NAP 0.0000000001415 0.60886 27.1375
335 1W6U NAP 0.00000000005941 0.62077 27.881
336 4K26 NDP 0.000000001077 0.62274 29.7398
337 4K26 SFF 0.000000007348 0.61504 29.7398
338 3CH6 NAP 0.000000006944 0.64623 30.4833
339 3CH6 311 0.000000006944 0.64623 30.4833
340 1GZ6 NAI 0.00000000002304 0.70821 32.342
341 1XSE NDP 0.0000000004223 0.66333 33.0855
342 3RJ5 NAD 0.00000000003888 0.69774 33.4572
343 1OAA OAA 0.000000001013 0.65472 34.2007
344 2BD0 NAP 0.0000000000001679 0.76405 35.6877
345 1ZBQ NAD 0.000000000004078 0.71415 36.0595
346 4J7U YTZ 0.000000003132 0.6344 36.803
347 4J7U NAP 0.000000003132 0.6344 36.803
348 1Z6Z NAP 0.0000000007829 0.62189 37.1747
349 3V1U NAD 0.0000000000002813 0.70058 40.5204
350 1XKQ NDP 0.000000000006834 0.71318 40.8922
351 1PR9 NAP 0.0000000000003822 0.75872 41.2639
352 3D3W NAP 0.0000000000006768 0.7497 41.2639
353 2GDZ NAD 0.000000000000003442 0.8047 41.6357
354 1AE1 NAP 0.000000000006092 0.71499 42.3792
355 4FC7 NAP 0.0000000001319 0.68628 42.7509
356 4FC7 COA 0.0000000001319 0.68628 42.7509
357 1A27 NAP 0.0000000001005 0.65128 42.7509
358 3HB5 NAP 0.000000000294 0.54512 42.7509
359 3RKR NAP 0.000005117 0.41673 42.7509
360 1U7T TDT 0.000000000001615 0.75616 43.1227
361 1U7T NAD 0.0000000000008121 0.70754 43.1227
362 3ZV6 4HB 0.000000000009583 0.72924 43.4944
363 3ZV6 NAD 0.000000000008403 0.72924 43.4944
364 3VZS NAP 0.0000000001909 0.68403 43.4944
365 3VZS CAA 0.0000000009678 0.47334 43.4944
366 1O5I NAD 0.0000008423 0.47033 43.4944
367 2DKN NAI 0.0000000000003819 0.72813 43.8662
368 4CLO NAP 0.0000000008222 0.67008 43.8662
369 4CME NAP 0.000000001081 0.65853 43.8662
370 3BMQ NAP 0.00000000112 0.65131 43.8662
371 4CM8 NAP 0.000000001793 0.65001 43.8662
372 4CM4 NAP 0.000000001895 0.64908 43.8662
373 3JQF NAP 0.000000001288 0.649 43.8662
374 3JQA NAP 0.00000000364 0.6446 43.8662
375 4CMI NAP 0.000000003142 0.64056 43.8662
376 3JQG NAP 0.000000004994 0.63918 43.8662
377 4CM9 NAP 0.0000000009114 0.61888 43.8662
378 3JQ8 NAP 0.000000001186 0.61516 43.8662
379 3BMN NAP 0.000000001642 0.6102 43.8662
380 3JQ9 NAP 0.000000002805 0.60248 43.8662
381 3BMO NAP 0.000000002153 0.60067 43.8662
382 4CLR NAP 0.000000002231 0.60002 43.8662
383 3JQB NAP 0.000000006157 0.57865 43.8662
384 4NBT NAD 0.00000000000002165 0.76819 44.2379
385 1XHL NDP 0.000000000002038 0.72572 44.2379
386 3ICC NAP 0.00000000001498 0.69402 44.2379
387 1G0N PHH 0.0000000000002069 0.7897 44.6097
388 1G0N NDP 0.0000000000001606 0.78632 44.6097
389 1UZN NAP 0.0000000164 0.48728 44.6097
390 1E3W NAD 0.00000000000007971 0.80957 44.9814
391 1E6W NAD 0.00000000000009004 0.80754 44.9814
392 2ZAT NAP 0.0000000000463 0.66424 44.9814
393 1H5Q NAP 0.0000000000008136 0.73121 45.3532
394 4QED NAP 0.000000000008911 0.68725 45.3532
395 2B4Q NAP 0.000000000006085 0.69519 45.7249
396 1VL8 NAP 0.000000000000289 0.76314 46.8401
397 3QWI CUE 0.000000000003562 0.74325 47.2119
398 3QWI NAP 0.0000000000006305 0.74325 47.2119
399 1Q7B NAP 0.0000000004287 0.66722 47.5836
400 2RH4 EMO 0.00000000002236 0.59336 47.5836
401 1GEG NAD 0.000000000000003442 0.86166 48.3271
402 1GEE NAD 0.000000000004571 0.74247 49.8141
Pocket No.: 2; Query (leader) PDB : 4ITU; Ligand: NAI; 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: 4itu.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4ITU; Ligand: NAI; 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: 4itu.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4ITU; Ligand: 1HS; Similar sites found: 296
This union binding pocket(no: 4) in the query (biounit: 4itu.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1WUW TSU 0.02245 0.44526 None
2 5FA8 SAM 0.005306 0.42184 None
3 3P7G MAN 0.04148 0.4153 None
4 3HO6 IHP 0.04577 0.40853 1.1236
5 4NEC SAH 0.001794 0.46497 1.13636
6 2VDV SAM 0.001561 0.47243 1.21951
7 5E8J SAH 0.0005348 0.49572 1.48699
8 5JJR SAH 0.01355 0.41533 1.48699
9 5GM1 SAH 0.0106 0.40867 1.48699
10 1JG3 ADN 0.007538 0.42737 1.70213
11 1EZ4 NAD 0.0001027 0.48467 1.85874
12 4EUE NAI 0.000002522 0.46533 1.85874
13 5THY SAH 0.001425 0.45382 1.85874
14 1G55 SAH 0.002807 0.44395 1.85874
15 4MDH NAD 0.001252 0.43663 1.85874
16 1O68 KIV 0.03724 0.41733 1.85874
17 4K37 SAM 0.03478 0.40156 1.85874
18 1I2B NAD 0.000000603 0.52763 2.23048
19 4GLL NAD 0.00000003914 0.51467 2.23048
20 4CCN OGA 0.01416 0.44336 2.23048
21 3TLJ SAH 0.002697 0.4347 2.23048
22 5X62 SAH 0.00674 0.43313 2.23048
23 5W3Y ACO 0.01917 0.43244 2.23048
24 1I2B UPG 0.003407 0.42724 2.23048
25 1I2B USQ 0.003407 0.42724 2.23048
26 1Z82 NDP 0.003357 0.41914 2.23048
27 1RM0 NAI 0.0005368 0.40667 2.23048
28 5CAD PCA 0.04177 0.40655 2.23048
29 2QBU SAH 0.01687 0.41082 2.58621
30 1RKX NAD 0.00000002893 0.60858 2.60223
31 2X6T NAP 0.000001046 0.46432 2.60223
32 1EQ2 NAP 0.000001307 0.46145 2.60223
33 3B6R CRN 0.02072 0.427 2.60223
34 1HDG NAD 0.003263 0.42515 2.60223
35 4XNV BUR 0.02372 0.4225 2.60223
36 3GGO NAI 0.0009889 0.40475 2.60223
37 3GGO ENO 0.0009889 0.40475 2.60223
38 5UAV TFB 0.0005076 0.40175 2.60223
39 4OBW SAM 0.002608 0.4491 2.72374
40 3GDH SAH 0.001946 0.4377 2.90456
41 1SB8 UD2 0.00000001176 0.58384 2.97398
42 1SB8 NAD 0.00000002309 0.56806 2.97398
43 2FR1 NDP 0.0000000006735 0.56574 2.97398
44 3MJE NDP 0.00000000049 0.56007 2.97398
45 5IN4 6CK 0.0000397 0.51351 2.97398
46 5IN4 NAP 0.00004061 0.51351 2.97398
47 5IN4 GDP 0.00004407 0.51092 2.97398
48 4PIV NDP 0.0000004752 0.48256 2.97398
49 2JJQ SAH 0.007918 0.43709 2.97398
50 1D1T NAD 0.001222 0.43137 2.97398
51 3GXO SAH 0.01637 0.42122 2.97398
52 4RSL FAD 0.001041 0.41878 2.97398
53 3GFB NAD 0.00446 0.41409 2.97398
54 4XBA 5GP 0.04096 0.40102 3
55 2EV9 SKM 0.001299 0.42502 3.04183
56 1S14 NOV 0.04204 0.41438 3.09278
57 1Z45 NAD 0.00000003209 0.61235 3.34572
58 1V6A TRE 0.000135 0.55418 3.34572
59 3KO8 NAD 0.00000001117 0.52877 3.34572
60 3ABI NAD 0.00006073 0.48288 3.34572
61 1BW9 NAD 0.0005118 0.47002 3.34572
62 5MSO NAP 0.0000004095 0.46668 3.34572
63 1C1X NAD 0.000738 0.44914 3.34572
64 5JAQ NAI 0.00007662 0.43823 3.34572
65 1ZMD NAI 0.001913 0.43494 3.34572
66 5XVK SAH 0.005704 0.42047 3.34572
67 4DPL NAP 0.004427 0.40925 3.34572
68 1HKU NAD 0.003978 0.4087 3.34572
69 4CJX NAP 0.009075 0.40636 3.34572
70 4GKV NAD 0.0003674 0.40218 3.34572
71 5LD5 NAD 0.003984 0.42729 3.35196
72 5GWX SAR 0.003064 0.42348 3.52113
73 5GWX SAM 0.003064 0.42348 3.52113
74 3OU2 SAH 0.008491 0.40758 3.66972
75 4ZRN NAD 0.00000003784 0.58858 3.71747
76 4ZRN UPG 0.0000002943 0.49528 3.71747
77 2Q1S NAI 0.00001233 0.47097 3.71747
78 1WVG APR 0.0000002255 0.46547 3.71747
79 3G2O SAM 0.002536 0.44967 3.71747
80 2BH9 NAP 0.006714 0.43685 3.71747
81 2DVZ GLU 0.03032 0.41454 3.71747
82 4DMG SAM 0.01176 0.43223 4.07125
83 1N7G GDR 0.000001254 0.5178 4.08922
84 1N7G NDP 0.00001496 0.4915 4.08922
85 5HJM MTA 0.003659 0.43863 4.08922
86 4YCA NDP 0.00207 0.43056 4.08922
87 3B1J NAD 0.002155 0.42163 4.08922
88 3I6I NDP 0.0006699 0.42094 4.08922
89 1UWK NAD 0.0004695 0.42039 4.08922
90 1UWK URO 0.0004695 0.42039 4.08922
91 4TXE 38F 0.016 0.41828 4.08922
92 1JQ3 AAT 0.002419 0.41229 4.08922
93 3OFK SAH 0.006676 0.42037 4.16667
94 2YY7 NAD 0.00000002622 0.51553 4.46097
95 2C29 NAP 0.000001146 0.50534 4.46097
96 2C29 DQH 0.000003368 0.48974 4.46097
97 5L95 AMP 0.0003367 0.48647 4.46097
98 2HYV UAP SGN IDS SGN IDS 0.005679 0.46596 4.46097
99 3PA8 IHP 0.04899 0.40691 4.72441
100 5KOK SAH 0.007005 0.42559 4.78589
101 2PZM NAD 0.000006472 0.48029 4.83271
102 2PZM UDP 0.000006472 0.48029 4.83271
103 4PVD NDP 0.0000008166 0.45746 4.83271
104 1VKO NAD 0.0005279 0.44 4.83271
105 5FTW SAH 0.00398 0.4336 4.83271
106 4OOE NDP 0.002221 0.42928 4.83271
107 4V15 PLP 0.03658 0.40677 5.01319
108 1EK6 UPG 0.0000003439 0.53723 5.17241
109 1EK6 NAI 0.00000004344 0.50264 5.17241
110 5LW0 AR6 0.01318 0.40195 5.19481
111 1Y1P NMN AMP PO4 0.00001048 0.53999 5.20446
112 1R6D DAU 0.0000007871 0.52127 5.20446
113 1R6D NAD 0.0000008778 0.52084 5.20446
114 4D79 ATP 0.0009577 0.46959 5.20446
115 1LDM NAD 0.0002302 0.46002 5.20446
116 3A27 SAM 0.00207 0.45383 5.20446
117 1CER NAD 0.0007709 0.44836 5.20446
118 4RDH AMP 0.003921 0.44832 5.20446
119 2X1L ADN 0.03794 0.41299 5.20446
120 2ZSH GA3 0.01472 0.40777 5.20446
121 5DN9 NAD 0.004966 0.40049 5.20446
122 4YMH SAH 0.004262 0.43224 5.41667
123 5M06 ADP 0.02572 0.4113 5.43478
124 4TQG NDP 0.00000003343 0.50464 5.57621
125 2GZ3 NAP 0.0007823 0.41583 5.57621
126 3BAZ NAP 0.007356 0.41022 5.57621
127 1DL5 SAH 0.007655 0.40694 5.57621
128 4U7W NDP 0.0000002189 0.58993 5.94796
129 2C5A NAD 0.00000004634 0.56476 5.94796
130 2C5A GDC 0.00000004634 0.50209 5.94796
131 1E7S NAP 0.0000004156 0.4864 5.94796
132 5H81 NAP 0.00175 0.44627 5.94796
133 1LVL NAD 0.003659 0.43525 5.94796
134 4BG4 ARG 0.03655 0.41869 5.94796
135 3M6W SAM 0.03471 0.4016 5.94796
136 5CAE COA 0.002482 0.43317 6.3197
137 5DX8 SFG 0.009646 0.41046 6.3197
138 5DXA SFG 0.01147 0.40717 6.3197
139 3FPF TNA 0.001755 0.40418 6.3197
140 4QTU SAM 0.000744 0.47058 6.66667
141 1GY8 NAD 0.0000002702 0.48581 6.69145
142 1NYT NAP 0.001161 0.4441 6.69145
143 5FI3 NAP 0.004451 0.40916 6.69145
144 1GV0 NAD 0.0001562 0.40204 6.69145
145 2NXE SAM 0.008108 0.42588 6.69291
146 3EGV SAH 0.01584 0.41523 6.69291
147 1HDO NAP 0.000002841 0.47074 6.79612
148 3A4V PYR 0.000000007091 0.60523 7.0632
149 3A4V NAD 0.000000007091 0.55489 7.0632
150 2DT5 NAD 0.0003265 0.45718 7.109
151 3RFV NAI 0.00000001915 0.50787 7.11611
152 3RFV 15L 0.0000001284 0.47803 7.11611
153 5XVQ SAH 0.00627 0.41867 7.39437
154 1V35 NAI 0.0000005643 0.5115 7.43494
155 3ORF NAD 0.0000003392 0.481 7.43494
156 5F8F SFG 0.003325 0.45183 7.43494
157 1UXG NAD 0.0002202 0.41914 7.43494
158 3LST SAH 0.0294 0.40836 7.43494
159 3VPH OXM 0.0003016 0.40732 7.43494
160 3VPH NAD 0.0002862 0.40347 7.43494
161 1Y8Q ATP 0.0008557 0.45302 7.80669
162 3VYW SAM 0.01188 0.41202 7.80669
163 1LDN NAD 0.0002141 0.40089 7.80669
164 1BXK NAD 0.00000009377 0.48787 8.17844
165 4XQC NAD 0.0002259 0.42468 8.17844
166 3JV7 NAD 0.002042 0.42255 8.17844
167 4XQC 13D 0.0003548 0.41537 8.17844
168 5MGZ SAH 0.007207 0.42501 8.47458
169 3OA2 NAD 0.003354 0.41655 8.55019
170 1OC2 NAD 0.0000009417 0.5221 8.62069
171 1OC2 TDX 0.0000009417 0.45974 8.62069
172 1RPN NDP 0.000001946 0.51724 8.65672
173 5GZ6 7C3 0.01554 0.40137 8.92193
174 2VGD XYP XYP 0.0287 0.41829 9.17431
175 5EE7 5MV 0.04966 0.40854 9.29368
176 4I6H 1C8 0.02538 0.4053 9.29368
177 1UDB NAD 0.0000001568 0.54398 9.66543
178 5L53 NAP 0.0000000009453 0.50651 9.66543
179 2F1K NAP 0.0002348 0.46977 9.66543
180 5ULP KB1 0.004187 0.4234 9.66543
181 2BKA NDP 0.000004093 0.44358 9.91736
182 2Q46 NAP 0.0000005981 0.47114 10.0372
183 1TB4 PEJ 0.005059 0.40696 10.4089
184 3LU1 NAD 0.000000001579 0.66402 10.4396
185 5K7U SAM 0.008007 0.42613 10.6667
186 2Q1W NAD 0.000001713 0.46758 10.7807
187 1T26 NAI 0.0006141 0.41337 10.7807
188 1E3I CXF 0.001201 0.41654 10.9043
189 5MPT SAH 0.0001448 0.50818 11.1524
190 5FA5 MTA 0.0003478 0.49988 11.1524
191 5IL1 SAM 0.01425 0.41429 11.3208
192 1KEW TYD 0.00000068 0.52097 11.5242
193 1KEW NAD 0.000001518 0.51031 11.5242
194 3DMH SAM 0.001884 0.44832 11.8959
195 3DMH GMP 0.003374 0.41904 11.8959
196 1SOW NAD 0.0002054 0.40518 11.8959
197 5JE8 NAD 0.001671 0.43742 12.2677
198 2I3G NAP 0.002773 0.41481 12.5
199 4HXY NDP 0.0000000001499 0.58177 12.6394
200 1HDR NAD 0.00003485 0.43389 12.7049
201 1I0Z NAI 0.0001465 0.40362 13.3829
202 9LDB NAD 0.000194 0.40343 13.7546
203 9LDT NAD 0.0001886 0.40316 13.7546
204 5L4S 6KX 0.0000000001697 0.60831 14.4981
205 5L4S NAP 0.0000000001697 0.60831 14.4981
206 1PZG A3D 0.0004033 0.43113 14.8699
207 2IXB NAD 0.003209 0.41234 15.6134
208 5KKA 6V0 0.0003028 0.44924 15.9851
209 1ORR NAD 0.00000003492 0.52034 16.3569
210 5JE0 SAH 0.003107 0.41288 16.5992
211 5JE0 AZ8 0.003107 0.41288 16.5992
212 3O26 NDP 0.00000000001916 0.59898 19.2926
213 1N5D NDP 0.0000000001599 0.57841 20.0744
214 3G89 SAM 0.001276 0.47683 20.4461
215 1FK8 NAD 0.0000000008364 0.70319 20.6226
216 1WMA AB3 0.0000000004501 0.61879 22.8261
217 1WMA NDP 0.0000000004501 0.60997 22.8261
218 3WXB NDP 0.00000000005729 0.71371 23.7918
219 3H4V DVP 0.00000001521 0.56619 24.1636
220 3H4V NAP 0.00000004009 0.54899 24.1636
221 4IXW IXW 0.008426 0.44833 24.4094
222 3JQ7 NAP 0.00000001256 0.64056 25.6506
223 4J1Q NDP 0.000000004545 0.52422 26.3941
224 1NVM NAD 0.002935 0.41385 26.3941
225 2WD7 NAP 0.000000007303 0.52321 26.4925
226 1W8D NAP 0.0000000002982 0.53071 27.1375
227 1W73 NAP 0.0000000004098 0.52789 27.1375
228 1W6U NAP 0.0000000001769 0.53734 27.881
229 4K26 SFF 0.0000000006533 0.60004 29.7398
230 4K26 NDP 0.000000003245 0.54344 29.7398
231 3CH6 311 0.0000000006842 0.63768 30.4833
232 3CH6 NAP 0.0000000006842 0.63768 30.4833
233 1GZ6 NAI 0.00000000007935 0.70821 32.342
234 1XSE NDP 0.00000000004944 0.63998 33.0855
235 3RJ5 NAD 0.00000000002269 0.64197 33.4572
236 1OAA OAA 0.0000000002533 0.62711 34.2007
237 2BD0 NAP 0.000000000000701 0.65241 35.6877
238 1ZBQ NAD 0.00000000001522 0.6117 36.0595
239 4J7U YTZ 0.000000000703 0.61049 36.803
240 4J7U NAP 0.000000000703 0.61049 36.803
241 1Z6Z NAP 0.000000002344 0.54275 37.1747
242 3V1U NAD 0.000000000001013 0.5978 40.5204
243 1XKQ NDP 0.00000000002554 0.61577 40.8922
244 1PR9 NAP 0.000000000001585 0.64989 41.2639
245 3D3W NAP 0.000000000002748 0.64325 41.2639
246 2GDZ NAD 0.00000000000001577 0.68063 41.6357
247 1AE1 NAP 0.00000000002286 0.61612 42.3792
248 4FC7 NAP 0.0000000002831 0.62359 42.7509
249 4FC7 COA 0.0000000002831 0.62359 42.7509
250 3HB5 NAP 0.00000000004621 0.60885 42.7509
251 1A27 NAP 0.0000000002628 0.5658 42.7509
252 3HB5 E2B 0.0003439 0.47001 42.7509
253 1U7T TDT 0.000000000009434 0.66781 43.1227
254 1U7T NAD 0.000000000002949 0.60678 43.1227
255 3ZV6 4HB 0.000000000005658 0.67997 43.4944
256 3ZV6 NAD 0.000000000004337 0.679 43.4944
257 3VZS NAP 0.0000000001207 0.63973 43.4944
258 3VZS CAA 0.0000000007732 0.50856 43.4944
259 1O5I NAD 0.000001756 0.41947 43.4944
260 4CLO NAP 0.000000002374 0.67008 43.8662
261 4CME NAP 0.000000003148 0.65853 43.8662
262 3BMQ NAP 0.000000003313 0.65131 43.8662
263 4CM8 NAP 0.000000005131 0.65001 43.8662
264 4CM4 NAP 0.000000005413 0.64908 43.8662
265 3JQF NAP 0.00000000379 0.649 43.8662
266 3JQA NAP 0.00000001 0.6446 43.8662
267 4CMI NAP 0.000000008824 0.64056 43.8662
268 3JQG NAP 0.00000001358 0.63918 43.8662
269 2DKN NAI 0.000000000001453 0.62458 43.8662
270 4CM9 NAP 0.000000002715 0.53905 43.8662
271 3JQ8 NAP 0.000000003502 0.53549 43.8662
272 3BMN NAP 0.000000004793 0.53288 43.8662
273 3JQ9 NAP 0.000000008039 0.52778 43.8662
274 3BMO NAP 0.000000006123 0.5241 43.8662
275 4CLR NAP 0.000000006337 0.5233 43.8662
276 3JQB NAP 0.00000001663 0.50848 43.8662
277 4CME KTZ 0.01913 0.42513 43.8662
278 4NBT NAD 0.00000000000009059 0.65278 44.2379
279 1XHL NDP 0.000000000007793 0.62531 44.2379
280 3ICC NAP 0.00000000005337 0.59662 44.2379
281 1G0N PHH 0.0000000000002359 0.72035 44.6097
282 1G0N NDP 0.0000000000002046 0.70524 44.6097
283 1UZN NAP 0.00000003791 0.42886 44.6097
284 1E3W NAD 0.0000000000003268 0.80957 44.9814
285 1E6W NAD 0.0000000000003678 0.80754 44.9814
286 2ZAT NAP 0.0000000001527 0.5753 44.9814
287 1H5Q NAP 0.000000000003147 0.62431 45.3532
288 4QED NAP 0.0000000000311 0.59021 45.3532
289 2B4Q NAP 0.00000000002151 0.60093 45.7249
290 1VL8 NAP 0.00000000000121 0.76314 46.8401
291 3QWI CUE 0.00000000001088 0.66579 47.2119
292 3QWI NAP 0.000000000002513 0.63483 47.2119
293 2RH4 EMO 0.000000000002113 0.67024 47.5836
294 1Q7B NAP 0.00000000131 0.66722 47.5836
295 1GEG NAD 0.00000000000001565 0.86166 48.3271
296 1GEE NAD 0.00000000001632 0.74247 49.8141
Pocket No.: 5; Query (leader) PDB : 4ITU; Ligand: 1HS; 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: 4itu.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4ITU; Ligand: NAI; 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: 4itu.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4ITU; Ligand: 1HS; 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: 4itu.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4ITU; Ligand: 1HS; 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: 4itu.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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