Receptor
PDB id Resolution Class Description Source Keywords
4K26 2.21 Å EC: 1.1.1.146 4,4-DIOXO-5,6-DIHYDRO-[1,4,3]OXATHIAZINES, A NOVEL CLASS OF INHIBITORS FOR THE TREATMENT OF DIABETES MUS MUSCULUS OXIDOREDUCTASE ALPHA AND BETA PROTEINS NAD(P)-BINDING ROSSSHORT CHAIN DEHYDROGENASE OXIDOREDUCTASE-OXIDOREDUCTASE INCOMPLEX
Ref.: 1,1-DIOXO-5,6-DIHYDRO-[4,1,2]OXATHIAZINES, A NOVEL 11-HSD1 INHIBITORS FOR THE TREATMENT OF DIABETES. BIOORG.MED.CHEM.LETT. V. 23 4685 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SFF B:301;
A:301;
Valid;
Valid;
none;
none;
ic50 = 1.22 uM
286.39 C13 H22 N2 O3 S C1CCC...
SO4 A:302;
B:302;
A:303;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
NDP A:304;
B:303;
Valid;
Valid;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4K26 2.21 Å EC: 1.1.1.146 4,4-DIOXO-5,6-DIHYDRO-[1,4,3]OXATHIAZINES, A NOVEL CLASS OF INHIBITORS FOR THE TREATMENT OF DIABETES MUS MUSCULUS OXIDOREDUCTASE ALPHA AND BETA PROTEINS NAD(P)-BINDING ROSSSHORT CHAIN DEHYDROGENASE OXIDOREDUCTASE-OXIDOREDUCTASE INCOMPLEX
Ref.: 1,1-DIOXO-5,6-DIHYDRO-[4,1,2]OXATHIAZINES, A NOVEL 11-HSD1 INHIBITORS FOR THE TREATMENT OF DIABETES. BIOORG.MED.CHEM.LETT. V. 23 4685 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4K26 ic50 = 1.22 uM SFF C13 H22 N2 O3 S C1CCC(CC1)....
2 1Y5M - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
70% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ILT Ki = 7 nM NN1 C21 H27 Cl F N O4 S CC(C)(C(=O....
2 4IJU ic50 = 5.1 nM 1EO C19 H18 F N3 O2 c1ccc(c(c1....
3 3PDJ ic50 = 14 nM 3PJ C28 H33 F3 N2 O3 C[C@](c1cc....
4 3CZR ic50 = 3 nM 3CZ C21 H27 N3 O4 S C[C@@H]1C[....
5 3HFG ic50 = 10 nM 17R C20 H19 F4 N5 O2 S C[C@@H]1C[....
6 1XU7 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
7 2BEL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 4C7J ic50 = 9.9 nM 4YQ C19 H26 N2 O4 S C1CC1c2c(s....
9 3H6K ic50 = 26 nM 33T C19 H18 Cl F4 N3 O3 S C[C@@H]1C[....
10 4IJW ic50 = 1.6 nM 1EQ C18 H16 Cl N3 c1cc(c2nnc....
11 4C7K ic50 = 43 nM DZL C20 H28 N2 O3 S CCc1nc(c(s....
12 4BB5 ic50 = 21 nM HD2 C24 H34 N4 O3 c1c(c(nc(n....
13 1XU9 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
14 3BZU ic50 = 14 nM A21 C13 H12 F4 N2 O S C[C@@H](c1....
15 3FRJ ic50 = 167 nM A49 C23 H30 F3 N3 O3 C[C@](c1cc....
16 3CH6 ic50 = 0.1 nM 311 C20 H23 F N2 O Cc1ccc(cc1....
17 4IJV ic50 = 0.7 nM 1EN C21 H15 Cl F N3 O c1ccc(c(c1....
18 4HX5 ic50 = 4 nM 19V C33 H45 N7 O2 CC(C)(C)N1....
19 3TFQ ic50 = 12 nM 07M C16 H12 N4 O2 S c1cc(c(nc1....
20 4K1L ic50 = 0.031 uM SFF C13 H22 N2 O3 S C1CCC(CC1)....
21 2RBE Ki = 17 nM ZMG C12 H13 F N2 O S CC(C)[C@@H....
22 3D4N - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
23 4K26 ic50 = 1.22 uM SFF C13 H22 N2 O3 S C1CCC(CC1)....
24 1Y5M - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
25 3G49 Ki = 287 nM 3G4 C18 H22 Cl N3 O3 S CCN(CC)C(=....
26 3DWF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
27 3LZ6 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
28 1XSE - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2ILT Ki = 7 nM NN1 C21 H27 Cl F N O4 S CC(C)(C(=O....
2 4IJU ic50 = 5.1 nM 1EO C19 H18 F N3 O2 c1ccc(c(c1....
3 3PDJ ic50 = 14 nM 3PJ C28 H33 F3 N2 O3 C[C@](c1cc....
4 3CZR ic50 = 3 nM 3CZ C21 H27 N3 O4 S C[C@@H]1C[....
5 3HFG ic50 = 10 nM 17R C20 H19 F4 N5 O2 S C[C@@H]1C[....
6 1XU7 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
7 2BEL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 4C7J ic50 = 9.9 nM 4YQ C19 H26 N2 O4 S C1CC1c2c(s....
9 3H6K ic50 = 26 nM 33T C19 H18 Cl F4 N3 O3 S C[C@@H]1C[....
10 4IJW ic50 = 1.6 nM 1EQ C18 H16 Cl N3 c1cc(c2nnc....
11 4C7K ic50 = 43 nM DZL C20 H28 N2 O3 S CCc1nc(c(s....
12 4BB5 ic50 = 21 nM HD2 C24 H34 N4 O3 c1c(c(nc(n....
13 1XU9 - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
14 3BZU ic50 = 14 nM A21 C13 H12 F4 N2 O S C[C@@H](c1....
15 3FRJ ic50 = 167 nM A49 C23 H30 F3 N3 O3 C[C@](c1cc....
16 3CH6 ic50 = 0.1 nM 311 C20 H23 F N2 O Cc1ccc(cc1....
17 4IJV ic50 = 0.7 nM 1EN C21 H15 Cl F N3 O c1ccc(c(c1....
18 4HX5 ic50 = 4 nM 19V C33 H45 N7 O2 CC(C)(C)N1....
19 3TFQ ic50 = 12 nM 07M C16 H12 N4 O2 S c1cc(c(nc1....
20 4K1L ic50 = 0.031 uM SFF C13 H22 N2 O3 S C1CCC(CC1)....
21 2RBE Ki = 17 nM ZMG C12 H13 F N2 O S CC(C)[C@@H....
22 3D4N - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
23 4K26 ic50 = 1.22 uM SFF C13 H22 N2 O3 S C1CCC(CC1)....
24 1Y5M - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
25 3G49 Ki = 287 nM 3G4 C18 H22 Cl N3 O3 S CCN(CC)C(=....
26 3DWF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
27 3LZ6 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
28 1XSE - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SFF; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 SFF 1 1
Ligand no: 2; Ligand: NDP; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 DG1 0.68 1
8 1DG 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 2AM 0.529412 0.87013
23 6V0 0.519685 0.974026
24 NAP 0.514493 0.922078
25 EAD 0.507143 0.949367
26 A2D 0.504673 0.921053
27 TXE 0.503876 0.935897
28 NA0 0.496454 0.910256
29 TXD 0.496124 0.911392
30 SAP 0.495575 0.875
31 AGS 0.495575 0.875
32 P1H 0.493056 0.925926
33 CO7 0.489796 0.791209
34 TAP 0.489362 0.864198
35 PAP 0.482456 0.907895
36 BA3 0.481818 0.921053
37 NAJ PZO 0.478261 0.924051
38 ATP 0.477876 0.921053
39 B4P 0.477477 0.921053
40 ADP 0.477477 0.921053
41 AP5 0.477477 0.921053
42 OAD 0.47541 0.897436
43 5FA 0.473684 0.921053
44 AR6 0.473684 0.896104
45 APR 0.473684 0.896104
46 AQP 0.473684 0.921053
47 AN2 0.473214 0.909091
48 3OD 0.467742 0.897436
49 50T 0.464912 0.884615
50 PO4 PO4 A A A A PO4 0.463415 0.857143
51 V3L 0.461538 0.896104
52 2A5 0.46087 0.85
53 A1R 0.459016 0.841463
54 ADQ 0.459016 0.897436
55 4AD 0.459016 0.875
56 OVE 0.458716 0.8375
57 OMR 0.458647 0.813953
58 PPS 0.457627 0.811765
59 AD9 0.456897 0.897436
60 CA0 0.45614 0.897436
61 M33 0.45614 0.884615
62 ADJ 0.455882 0.879518
63 A3P 0.455357 0.894737
64 ACP 0.452174 0.897436
65 ENP 0.451613 0.85
66 UP5 0.451128 0.948052
67 SRP 0.45 0.8625
68 ANP 0.449153 0.897436
69 ACQ 0.449153 0.897436
70 PRX 0.448276 0.82716
71 5AL 0.445378 0.884615
72 7D4 0.443478 0.8375
73 ADX 0.443478 0.811765
74 AMP 0.436364 0.894737
75 A 0.436364 0.894737
76 4TC 0.433824 0.924051
77 7D3 0.433628 0.8375
78 ETB 0.433566 0.797753
79 DCA 0.433566 0.788889
80 1ZZ 0.433071 0.802326
81 BIS 0.433071 0.864198
82 00A 0.432 0.864198
83 ATF 0.429752 0.886076
84 0T1 0.427586 0.788889
85 5SV 0.427419 0.788235
86 8QN 0.427419 0.884615
87 3AM 0.427273 0.857143
88 N01 0.426573 0.884615
89 PR8 0.425197 0.811765
90 WAQ 0.425197 0.841463
91 LAD 0.425197 0.821429
92 DTP 0.425 0.8375
93 AMO 0.424 0.886076
94 PAJ 0.424 0.843373
95 APC 0.423729 0.886076
96 UPA 0.423358 0.935897
97 48N 0.422222 0.853659
98 FYA 0.421875 0.860759
99 PTJ 0.421875 0.853659
100 CNA 0.421429 0.910256
101 PUA 0.42069 0.9125
102 NXX 0.419118 0.910256
103 DND 0.419118 0.910256
104 AV2 0.418033 0.848101
105 COA 0.417808 0.788889
106 3UK 0.417323 0.897436
107 OOB 0.416 0.909091
108 IVC 0.415584 0.78022
109 DAT 0.415254 0.8375
110 NDO 0.414966 0.897436
111 139 0.414286 0.901235
112 3AT 0.413223 0.896104
113 TAT 0.413223 0.886076
114 YLB 0.413043 0.784091
115 62F 0.4125 0.823529
116 ABM 0.412281 0.848101
117 YAP 0.412214 0.875
118 YLP 0.411765 0.784091
119 ME8 0.410853 0.802326
120 NB8 0.410853 0.853659
121 SON 0.410256 0.886076
122 DLL 0.409449 0.909091
123 AHX 0.409449 0.853659
124 COS 0.409396 0.771739
125 AMX 0.409396 0.797753
126 CAO 0.409396 0.763441
127 30N 0.409396 0.72449
128 7D5 0.409091 0.8125
129 4UW 0.408759 0.9125
130 APX 0.407692 0.841463
131 SRA 0.40708 0.85
132 CMX 0.406667 0.788889
133 SCO 0.406667 0.788889
134 TYM 0.405797 0.886076
135 COD 0.405594 0.777778
136 OXK 0.405229 0.771739
137 CA6 0.405229 0.70297
138 A12 0.405172 0.886076
139 AP2 0.405172 0.886076
140 9SN 0.40458 0.853659
141 LAQ 0.404412 0.802326
142 T5A 0.404255 0.914634
143 FAM 0.403974 0.771739
144 ACO 0.403974 0.763441
145 FCX 0.403974 0.763441
146 AMP MG 0.403509 0.825
147 VO4 ADP 0.403226 0.860759
148 ADP VO4 0.403226 0.860759
149 YLC 0.402878 0.823529
150 1VU 0.402597 0.763441
151 FA5 0.401515 0.886076
152 HAX 0.401316 0.771739
153 APU 0.4 0.923077
154 TXA 0.4 0.886076
155 A U 0.4 0.898734
156 4UU 0.4 0.948052
157 AFH 0.4 0.843373
158 CAJ 0.4 0.771739
159 AR6 AR6 0.4 0.871795
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4K26; Ligand: SFF; Similar sites found: 304
This union binding pocket(no: 1) in the query (biounit: 4k26.bio1) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3HYW DCQ 0.02955 0.42093 1.81159
2 3BAZ NAP 0.004597 0.41588 1.81159
3 4KBA 1QM 0.0309 0.40463 1.81159
4 4IXW IXW 0.003489 0.46587 1.9685
5 4ZRN NAD 0.0000002246 0.55506 2.17391
6 4U7W NDP 0.00000004475 0.51091 2.17391
7 2YY7 NAD 0.0000005847 0.49035 2.17391
8 4ZRN UPG 0.0000007592 0.47472 2.17391
9 2EXX NAP 0.0003579 0.41391 2.17391
10 1F3L SAH 0.00863 0.41253 2.17391
11 2GCG NDP 0.004858 0.40469 2.17391
12 3OFK SAH 0.01164 0.41888 2.31481
13 1A5Z NAD 0.008905 0.41193 2.50784
14 1RPN NDP 0.000003613 0.50328 2.53623
15 1E7S NAP 0.0000009036 0.49042 2.53623
16 1E5Q NDP 0.000621 0.44263 2.53623
17 3OA2 NAD 0.004104 0.41003 2.53623
18 1UWK NAD 0.001676 0.40782 2.53623
19 4DMG SAM 0.0319 0.40723 2.53623
20 2BKA NDP 0.000001552 0.46914 2.89256
21 1N7G GDR 0.000001783 0.52264 2.89855
22 1N7G NDP 0.00002696 0.49085 2.89855
23 2Q1S NAI 0.00002866 0.46722 2.89855
24 5F5N NAD 0.000008904 0.43984 2.89855
25 2JJQ SAH 0.02551 0.40882 2.89855
26 2GZ3 NAP 0.00188 0.40882 2.89855
27 3G2O SAM 0.01855 0.40614 2.89855
28 3KYQ DPV 0.04105 0.41238 3.01508
29 3LST SAH 0.02703 0.41094 3.16092
30 2VDV SAM 0.009085 0.43124 3.25203
31 2BH9 NAP 0.0006437 0.48345 3.26087
32 1V6A TRE 0.01351 0.43916 3.26087
33 2I3G NAP 0.002083 0.41652 3.26087
34 1HDG NAD 0.005164 0.41377 3.26087
35 1I0Z NAI 0.002856 0.41373 3.26087
36 1CER NAD 0.008018 0.40323 3.26087
37 4A6D SAM 0.02039 0.40133 3.26087
38 1KEW TYD 0.000003777 0.5053 3.62319
39 1KEW NAD 0.000004939 0.50232 3.62319
40 5JAQ NAI 0.00000199 0.50166 3.62319
41 4EUE NAI 0.0000005762 0.49795 3.62319
42 1SQF SAM 0.001904 0.4524 3.62319
43 1U8X NAD 0.00845 0.40229 3.62319
44 1HDR NAD 0.0001155 0.41151 3.68852
45 1J5P NAD 0.004749 0.41001 3.95257
46 5IN4 NAP 0.00004954 0.51819 3.98551
47 5IN4 6CK 0.00004929 0.5179 3.98551
48 5IN4 GDP 0.00005194 0.51618 3.98551
49 4OOE NDP 0.0008797 0.4427 3.98551
50 2HJR APR 0.001541 0.44215 3.98551
51 1H9A NAP 0.0003585 0.40945 3.98551
52 2V6G NAP 0.00000005338 0.52365 4.34783
53 4GLL NAD 0.0000008798 0.48917 4.34783
54 2PZM NAD 0.00001269 0.4795 4.34783
55 2PZM UDP 0.00001269 0.4795 4.34783
56 5E8J SAH 0.00487 0.44472 4.34783
57 2YOO K2B 0.01174 0.41547 4.34783
58 5XVQ SAH 0.01399 0.40059 4.34783
59 3EGI ADP 0.01363 0.43879 4.36893
60 1O8B ABF 0.03715 0.4109 4.56621
61 1EK6 NAI 0.0000005552 0.53852 4.71014
62 1EK6 UPG 0.000001475 0.52561 4.71014
63 4RDH AMP 0.006352 0.43512 4.71014
64 1G55 SAH 0.009062 0.41755 4.71014
65 3VYW SAM 0.01764 0.40145 4.71014
66 5AIG VPR 0.03017 0.41202 4.8
67 3KO8 NAD 0.0000001205 0.51499 5.07246
68 1I2B NAD 0.000003324 0.51182 5.07246
69 5MSO NAP 0.0000004846 0.47787 5.07246
70 1EQ2 NAP 0.000002725 0.46464 5.07246
71 1Y8Q ATP 0.005212 0.41636 5.07246
72 1I2B USQ 0.02163 0.40063 5.07246
73 1I2B UPG 0.02163 0.40063 5.07246
74 1P77 ATR 0.01426 0.43772 5.14706
75 4NEC SAH 0.01291 0.42009 5.30303
76 4PIV NDP 0.0000004253 0.49455 5.43478
77 1UDB NAD 0.000001229 0.46266 5.43478
78 2X6T NAP 0.0000034 0.46144 5.43478
79 3EGV SAH 0.02334 0.40439 5.44218
80 3H4V DVP 0.00000002752 0.57032 5.7971
81 3H4V NAP 0.00000007322 0.55401 5.7971
82 1SB8 UD2 0.000001411 0.52286 5.7971
83 1SB8 NAD 0.000002676 0.50816 5.7971
84 4J1Q NDP 0.0000006767 0.47915 5.7971
85 1BXK NAD 0.000001755 0.4686 5.7971
86 5L4L 7OX 0.00002331 0.46022 5.7971
87 5L4L NAP 0.00001046 0.4342 5.7971
88 3I6I NDP 0.0004793 0.42265 5.7971
89 3GXO SAH 0.01991 0.41422 5.7971
90 4DPL NAP 0.002613 0.41524 5.84958
91 1VL0 NAI 0.0000003956 0.47382 6.15942
92 5EXA 5SO 0.03864 0.40997 6.15942
93 4XQC NAD 0.001323 0.40944 6.15942
94 4XQC 13D 0.001473 0.40881 6.15942
95 4O1Z MXM 0.01677 0.40244 6.15942
96 1U7T TDT 0.000000004582 0.59546 6.51341
97 1U7T NAD 0.000000003168 0.54439 6.51341
98 4R1S NAP 0.0000004188 0.57912 6.52174
99 4TQG NDP 0.0000000309 0.52309 6.52174
100 3O26 NDP 0.000000002464 0.55813 6.88406
101 3A4V PYR 0.0000003646 0.51719 6.88406
102 3A4V NAD 0.0000003646 0.51719 6.88406
103 4O1M NAD 0.0000001079 0.51262 6.88406
104 4PVD NDP 0.0000007208 0.47244 6.88406
105 1WVG APR 0.000004019 0.44601 6.88406
106 5W3X ACO 0.02619 0.42225 6.88406
107 5H81 NAP 0.01353 0.40389 6.88406
108 4K28 NAD 0.01112 0.40232 6.88406
109 3WMX NAD 0.000001345 0.55831 7.24638
110 1LVL NAD 0.005516 0.42422 7.6087
111 2PK3 A2R 0.000007727 0.41234 7.6087
112 1FK8 NAD 0.0000000003817 0.71163 7.7821
113 1R6D DAU 0.000002635 0.51318 7.97101
114 1R6D NAD 0.000004971 0.50446 7.97101
115 1JG3 ADN 0.02347 0.40132 8.08511
116 3OJF IMJ 0.00000008392 0.55197 8.17121
117 3OJF NDP 0.00000008602 0.53468 8.17121
118 3MJE NDP 0.00000006693 0.51656 8.33333
119 1ORR NAD 0.0000003555 0.50588 8.33333
120 1Y1P NMN AMP PO4 0.00001165 0.42109 8.33333
121 2F1K NAP 0.008085 0.40561 8.33333
122 3ORF NAD 0.000001313 0.4726 8.36653
123 3ABI NAD 0.001971 0.42003 8.49315
124 3LU1 NAD 0.000000435 0.56297 8.51648
125 2DKN NAI 0.00000000007385 0.71772 8.62745
126 1RKX NAD 0.0000001435 0.57667 8.69565
127 2Q46 NAP 0.00000002384 0.52343 8.69565
128 1GY8 NAD 0.0000008024 0.48616 8.69565
129 4KWI NAP 0.0000000001579 0.63375 8.74525
130 4KWI 1TJ 0.0000000001666 0.62534 8.74525
131 1IY8 NAD 0.0000000002073 0.59801 8.98876
132 2Q1W NAD 0.0000004815 0.55179 9.00901
133 1D7O NAD 0.000003137 0.50185 9.42029
134 1HDO NAP 0.000001929 0.52075 9.70874
135 3RFV NAI 0.0000009424 0.47475 9.73783
136 3RFV 15L 0.00001929 0.4292 9.73783
137 4HXY NDP 0.0000001201 0.51282 9.78261
138 1NYT NAP 0.004187 0.41758 9.9631
139 2EG5 SAH 0.01206 0.4251 10.5072
140 4FC7 COA 0.000000001019 0.61981 11.5942
141 4FC7 NAP 0.000000001019 0.61981 11.5942
142 3G89 SAM 0.0006356 0.48863 12.0482
143 2CVQ NDP 0.006949 0.40092 12.3188
144 5HJM MTA 0.02155 0.40023 12.6812
145 2C5A NAD 0.0000001295 0.47961 13.0435
146 2C5A GDC 0.0000001295 0.47961 13.0435
147 1NNU NAD 0.000004554 0.52612 13.4058
148 1NNU TCT 0.000004774 0.52612 13.4058
149 1V35 NAI 0.0000008976 0.51652 13.4058
150 1OC2 TDX 0.000003391 0.5126 13.4058
151 1OC2 NAD 0.000003391 0.5126 13.4058
152 4Q9N NAI 0.000000383 0.49867 13.4058
153 4MDH NAD 0.001011 0.43717 13.4058
154 1QW9 KHP 0.03205 0.40383 13.4058
155 1W73 NAP 0.000000007156 0.66551 14.1304
156 1W8D NAP 0.000000006428 0.5192 14.1304
157 1W6U NAP 0.000000002576 0.52998 14.4928
158 3BMQ NAP 0.00000001083 0.62566 15.2174
159 4CM4 NAP 0.00000001619 0.62474 15.2174
160 3JQF NAP 0.00000001241 0.62335 15.2174
161 5JCJ NAP 0.00000001791 0.62299 15.2174
162 3BMO NAP 0.00000001882 0.62213 15.2174
163 4CMI NAP 0.00000002983 0.61419 15.2174
164 3JQA NAP 0.0000000437 0.61341 15.2174
165 3JQG NAP 0.00000005401 0.60969 15.2174
166 3JQB NAP 0.00000006542 0.60633 15.2174
167 4CM9 NAP 0.000000007248 0.54482 15.2174
168 5K6A NAP 0.00000000726 0.54388 15.2174
169 4CME NAP 0.000000009339 0.5364 15.2174
170 3BMN NAP 0.00000001541 0.53563 15.2174
171 3JQ8 NAP 0.00000001599 0.53411 15.2174
172 3JQ9 NAP 0.00000001738 0.53256 15.2174
173 4CM8 NAP 0.00000001446 0.53052 15.2174
174 5JDC NAP 0.00000001471 0.52988 15.2174
175 3JQ7 NAP 0.00000001011 0.5293 15.2174
176 5JDI NAP 0.00000001522 0.52773 15.2174
177 4CLR NAP 0.00000001923 0.52689 15.2174
178 4CLO NAP 0.00000001218 0.52587 15.2174
179 5JCJ 6JM 0.00521 0.46164 15.2174
180 4CMI M4V 0.01485 0.42059 15.2174
181 3BMO AX4 0.03852 0.41258 15.2174
182 4CM4 4NR 0.04293 0.40768 15.2174
183 2VZ0 D64 0.0000002631 0.57112 15.2985
184 2VZ0 NAP 0.0000002631 0.57112 15.2985
185 2WD7 NAP 0.00000002271 0.52488 15.2985
186 4D42 NAP 0.0000000938 0.56218 15.5797
187 4D42 W0I 0.0000000938 0.56218 15.5797
188 3OIG NAD 0.0000003777 0.48681 15.7895
189 1MXH DHF 0.00000007233 0.54735 16.3043
190 1MXH NAP 0.0000001051 0.54191 16.3043
191 1QG6 NAD 0.0000001914 0.54272 22.6054
192 1QG6 TCL 0.0000001914 0.54272 22.6054
193 1WMA AB3 0.00000002557 0.57306 22.8261
194 1WMA NDP 0.00000002557 0.57306 22.8261
195 5L4S NAP 0.00000001844 0.56366 22.8261
196 5L4S 6KX 0.00000001844 0.56366 22.8261
197 5CG1 NAD BBN 0.000005346 0.51053 22.8261
198 3RJ5 NAD 0.00000003417 0.56635 22.8346
199 1N5D NDP 0.00000001267 0.54148 23.1884
200 5L53 NAP 0.00000001213 0.49706 23.5507
201 1H5Q NAP 0.000000002035 0.56701 24.1509
202 1Z45 NAD 0.000002287 0.53479 24.6377
203 2C29 NAP 0.0000007804 0.52154 24.6377
204 2C29 DQH 0.0000008502 0.52024 24.6377
205 1Z45 UPG 0.01327 0.41297 24.6377
206 2FR1 NDP 0.0000004741 0.55205 25.7246
207 1ZK4 NAP 0.000000000361 0.61599 25.8964
208 1ZK4 AC0 0.001709 0.4585 25.8964
209 2CFC NAD 0.000000000494 0.68493 26
210 2CFC KPC 0.0008687 0.50547 26
211 3AY6 NAI 0.000000000814 0.62791 26.0223
212 3AY6 BGC 0.000000005504 0.53228 26.0223
213 4OHU 2TK 0.0000004129 0.54551 26.087
214 4OHU NAD 0.0000004129 0.54551 26.087
215 3GEG NAD 0.00000000005761 0.59151 26.3158
216 1BDB NAD 0.000000003884 0.62537 26.4493
217 2PD4 DCN 0.0000001028 0.53209 26.9091
218 2PD4 NAD 0.0000001216 0.52994 26.9091
219 3ZV6 NAD 0.00000000152 0.61197 27.1739
220 3ZV6 4HB 0.000000001718 0.61197 27.1739
221 3VZS NAP 0.00000000256 0.56987 27.2374
222 3VZS CAA 0.00000002443 0.46901 27.2374
223 3WXB NDP 0.000000002195 0.64652 27.5986
224 4O0L NDP 0.00000000494 0.63297 27.6364
225 4YAG NAI 0.00000001359 0.58092 27.8986
226 2DTX BMA 0.00000000006442 0.65503 28.4091
227 3A28 NAD 0.000000001271 0.66204 29.0698
228 1GEE NAD 0.0000000002425 0.69016 29.1188
229 2GDZ NAD 0.0000000002289 0.58984 29.2135
230 1XHL NDP 0.0000000003288 0.59526 29.3478
231 2B4Q NAP 0.0000000004202 0.58324 29.3478
232 2WYV NAD 0.000001624 0.47653 29.5019
233 4ITU NAI 0.000000007348 0.61504 29.7398
234 4ITU 1HS 0.0000000006533 0.60004 29.7398
235 1VL8 NAP 0.0000000007193 0.65269 29.9625
236 3HB5 NAP 0.000000001475 0.55403 30.0725
237 1A27 NAP 0.00000001907 0.5331 30.0725
238 3HB5 E2B 0.000301 0.46903 30.0725
239 1ZEM NAD 0.00000004612 0.50499 30.1527
240 3TN7 NJP 0.00000000009528 0.60806 30.3502
241 3SJU NDP 0.0000000001763 0.68867 30.4348
242 1GZ6 NAI 0.0000002817 0.5654 30.7971
243 3OID NDP 0.0000000001972 0.60839 31.0078
244 1PR9 NAP 0.00000000001526 0.64226 31.1475
245 3D3W NAP 0.000000000056 0.626 31.1475
246 3V1U NAD 0.000000002128 0.5349 31.1594
247 1OAA OAA 0.000000000003792 0.70596 31.2741
248 1E3W NAD 0.000000002478 0.65071 31.4176
249 1SNY NAP 0.00000001324 0.51979 31.4607
250 2RH4 EMO 0.00000000008709 0.60758 31.5217
251 3QWI CUE 0.000000004453 0.59589 31.5217
252 3QWI NAP 0.000000001957 0.57207 31.5217
253 1ZBQ NAD 0.0000002822 0.5055 31.5217
254 1E6W NAD 0.000000001827 0.65588 31.5385
255 5GT9 NAP 0.00000000008897 0.6092 31.5589
256 3SJ7 NDP 0.0000000005334 0.57168 31.746
257 4FN4 NAD 0.000000001209 0.66288 31.8898
258 4NBW NAD 0.000000000596 0.56426 31.9066
259 2BD0 NAP 0.00000000004004 0.70635 31.9672
260 2BD0 BIO 0.001187 0.48797 31.9672
261 1GEG NAD 0.000000000717 0.67176 32.0312
262 1JA9 NDP 0.000000002953 0.56734 32.1168
263 4J7U NAP 0.00000000001202 0.68648 32.6389
264 4J7U YTZ 0.00000000001202 0.68648 32.6389
265 1UAY ADN 0.00004181 0.54727 32.6446
266 3O03 NAP 0.0000000423 0.50674 32.971
267 2WSB NAD 0.0000000001571 0.64388 33.0709
268 1G0N PHH 0.0000000006131 0.62554 33.3333
269 1G0N NDP 0.0000000009298 0.61111 33.3333
270 4NBU NAI 0.0000000006172 0.66773 33.6
271 4CQM NAP 0.000000002632 0.55976 33.6066
272 5THQ NDP 0.0000000000363 0.61163 33.8235
273 4OSP NAP 0.0000000001073 0.59014 33.8403
274 1NFQ NAI 0.00000000008148 0.61362 33.8462
275 4ZA2 NAD 0.0000000001275 0.5928 33.9921
276 1UZN NAP 0.0000007217 0.4209 34.413
277 3U4C NDP 0.000000002959 0.55051 34.7826
278 3ICC NAP 0.00000000003314 0.70946 34.902
279 1Z6Z NAP 0.00000000001945 0.62134 35.1064
280 1XG5 NAP 0.00000000002886 0.7189 35.1449
281 2Q2V NAD 0.000000000468 0.59574 35.2941
282 4QED NAP 0.000000005947 0.54895 35.4839
283 1EDO NAP 0.0000000001307 0.60723 35.6557
284 1XKQ NDP 0.0000000002088 0.60501 35.8696
285 3AFN NAP 0.0000000001811 0.60839 36.0465
286 4NBT NAD 0.0000000002186 0.58381 36.25
287 1X1T NAD 0.0000000001787 0.67525 36.5385
288 3RKR NAP 0.0000002244 0.40816 37.0229
289 5T2U NAP 0.00000000001368 0.64323 37.0968
290 1O5I NAD 0.00000006148 0.4661 37.3494
291 5EPO NAP 0.000000005674 0.54844 37.4046
292 2ZAT NAP 0.0000000003534 0.5842 37.6923
293 2AE2 PTO 0.000000000002356 0.70645 38.0769
294 2AE2 NAP 0.000000000002356 0.70645 38.0769
295 1Q7B NAP 0.000000004709 0.6398 38.5246
296 1AE1 NAP 0.00000000003236 0.63238 39.1941
297 5ITV NAI 0.0000000003084 0.59096 40
298 2JAH NDP 0.000000000239 0.59425 40.081
299 2EWM NAD 0.0000000002479 0.68297 40.1606
300 2AG5 NAD 0.0000000002685 0.5882 40.2439
301 2BGM NAJ 0.00000002277 0.51391 40.5797
302 3NUG NAD 0.0000000002526 0.59381 40.8907
303 2JAP NDP 0.0000000001512 0.69123 41.2955
304 2JAP J01 0.003549 0.46547 41.2955
Pocket No.: 2; Query (leader) PDB : 4K26; Ligand: NDP; Similar sites found: 332
This union binding pocket(no: 2) in the query (biounit: 4k26.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3PQC GDP 0.01923 0.42221 None
2 3F81 STT 0.009169 0.40727 None
3 3ISO GSH 0.03857 0.40689 1.37615
4 2F5X ASP 0.03955 0.40575 1.44928
5 4KBA 1QM 0.01012 0.43247 1.81159
6 3BAZ NAP 0.002646 0.41643 1.81159
7 4KP7 NAP 0.007592 0.40214 1.81159
8 4U7W NDP 0.00000001063 0.58631 2.17391
9 4ZRN NAD 0.00000004335 0.55755 2.17391
10 2YY7 NAD 0.0000002691 0.55155 2.17391
11 4ZRN UPG 0.0000002629 0.45798 2.17391
12 2EXX NAP 0.0001353 0.45556 2.17391
13 1F3L SAH 0.007046 0.40748 2.17391
14 2GCG NDP 0.00341 0.40136 2.17391
15 3OFK SAH 0.006984 0.42054 2.31481
16 1A5Z NAD 0.00424 0.41694 2.50784
17 1E7S NAP 0.0000008148 0.53558 2.53623
18 1RPN NDP 0.0000005331 0.50809 2.53623
19 1E5Q NDP 0.0002508 0.44747 2.53623
20 1UWK NAD 0.0007045 0.44106 2.53623
21 4DMG SAM 0.01731 0.41242 2.53623
22 3OA2 NAD 0.003683 0.40259 2.53623
23 2BKA NDP 0.0000007543 0.52576 2.89256
24 1N7G NDP 0.000001091 0.57477 2.89855
25 1N7G GDR 0.0000008426 0.56705 2.89855
26 2Q1S NAI 0.000004256 0.52562 2.89855
27 5F5N NAD 0.000003136 0.49561 2.89855
28 2GZ3 NAP 0.001187 0.43497 2.89855
29 3G2O SAM 0.008893 0.41231 2.89855
30 2JJQ SAH 0.01497 0.41189 2.89855
31 1M2W NAD 0.009583 0.40175 2.89855
32 5TH5 MET 0.04371 0.40295 3.04183
33 3LST SAH 0.02609 0.40012 3.16092
34 2VDV SAM 0.005334 0.43365 3.25203
35 2BH9 NAP 0.0004449 0.48076 3.26087
36 1V6A TRE 0.005714 0.45181 3.26087
37 1I0Z NAI 0.001451 0.41541 3.26087
38 1HDG NAD 0.003216 0.41299 3.26087
39 2I3G NAP 0.001477 0.41246 3.26087
40 1CER NAD 0.004617 0.40393 3.26087
41 1X7D ORN 0.004003 0.40347 3.26087
42 1QO0 BMD 0.03946 0.40239 3.26087
43 4PLG NAI 0.004504 0.40151 3.26087
44 1X7D NAD 0.002361 0.40003 3.26087
45 1TD2 PXL 0.03755 0.40653 3.48432
46 1U1I NAD 0.002616 0.40703 3.57143
47 4EUE NAI 0.0000005406 0.54224 3.62319
48 1KEW TYD 0.000003962 0.53435 3.62319
49 1KEW NAD 0.000005274 0.53056 3.62319
50 5JAQ NAI 0.000002313 0.53022 3.62319
51 1SQF SAM 0.001029 0.45485 3.62319
52 1U8X NAD 0.004197 0.40558 3.62319
53 1LDM NAD 0.002808 0.40456 3.62319
54 2A92 NAI 0.003412 0.40021 3.62319
55 1HDR NAD 0.00004386 0.403 3.68852
56 3GDH SAH 0.007454 0.40357 3.73444
57 1J5P NAD 0.004195 0.40296 3.95257
58 5IN4 NAP 0.00001056 0.5738 3.98551
59 5IN4 6CK 0.00001034 0.5738 3.98551
60 5IN4 GDP 0.00001106 0.57164 3.98551
61 1H9A NAP 0.0001493 0.45394 3.98551
62 2HJR APR 0.0005649 0.45066 3.98551
63 4OOE NDP 0.000572 0.44004 3.98551
64 4QTU SAM 0.01365 0.40081 4.32692
65 2V6G NAP 0.0000000423 0.58143 4.34783
66 4GLL NAD 0.0000001435 0.56377 4.34783
67 2PZM UDP 0.000001774 0.54045 4.34783
68 2PZM NAD 0.000001774 0.54045 4.34783
69 5E8J SAH 0.002531 0.44932 4.34783
70 1SOW NAD 0.00276 0.40365 4.34783
71 1HYE NAP 0.0006567 0.40155 4.34783
72 3EGI ADP 0.0126 0.43205 4.36893
73 5T9E NAP 0.0008645 0.41036 4.42804
74 3CQL NAG 0.04281 0.4041 4.52675
75 1EK6 NAI 0.000003367 0.54061 4.71014
76 1EK6 UPG 0.000004593 0.53736 4.71014
77 4RDH AMP 0.003558 0.43804 4.71014
78 5KKA 6V0 0.001378 0.41494 4.71014
79 1G55 SAH 0.007788 0.41169 4.71014
80 4XG0 CIT 0.03358 0.40909 4.71014
81 9LDT NAD 0.002016 0.40743 4.71014
82 9LDB NAD 0.002183 0.40614 4.71014
83 3VYW SAM 0.01165 0.40092 4.71014
84 3KO8 NAD 0.00000002202 0.59419 5.07246
85 1I2B NAD 0.000002309 0.5483 5.07246
86 5MSO NAP 0.0000001717 0.54041 5.07246
87 1EQ2 NAP 0.0000009619 0.52631 5.07246
88 1I2B UPG 0.01026 0.42868 5.07246
89 1I2B USQ 0.01026 0.42868 5.07246
90 1Y8Q ATP 0.003312 0.41538 5.07246
91 1ZMD NAI 0.006624 0.40026 5.07246
92 1P77 ATR 0.01161 0.43395 5.14706
93 4NEC SAH 0.008708 0.41961 5.30303
94 4PIV NDP 0.0000001097 0.56604 5.43478
95 2X6T NAP 0.0000003998 0.54027 5.43478
96 1UDB NAD 0.000002225 0.43038 5.43478
97 1UXG NAD 0.00412 0.40406 5.43478
98 3EGV SAH 0.01664 0.40299 5.44218
99 3H4V DVP 0.000000009727 0.62699 5.7971
100 3H4V NAP 0.00000003317 0.6046 5.7971
101 1SB8 UD2 0.000001575 0.55267 5.7971
102 4J1Q NDP 0.0000001638 0.54583 5.7971
103 1SB8 NAD 0.000002373 0.54074 5.7971
104 1BXK NAD 0.0000004205 0.53493 5.7971
105 5L4L 7OX 0.00003057 0.48433 5.7971
106 5L4L NAP 0.000004425 0.48368 5.7971
107 3I6I NDP 0.0002275 0.4131 5.7971
108 3GXO SAH 0.01596 0.41055 5.7971
109 1X87 NAD 0.0006881 0.40309 5.7971
110 4DPL NAP 0.001447 0.41545 5.84958
111 1VL0 NAI 0.0000006776 0.51313 6.15942
112 4XQC NAD 0.0006127 0.44139 6.15942
113 4XQC 13D 0.0008618 0.43662 6.15942
114 1H8P PC 0.03618 0.42964 6.42202
115 4UYF 73B 0.0447 0.40474 6.49351
116 1U7T TDT 0.000000005899 0.63367 6.51341
117 1U7T NAD 0.000000001032 0.62291 6.51341
118 4TQG NDP 0.00000000598 0.60225 6.52174
119 4R1S NAP 0.0000001254 0.58557 6.52174
120 1T26 NAI 0.004199 0.40779 6.52174
121 5T9F TYR 0.001082 0.42519 6.64207
122 5T9F NAP 0.001407 0.41965 6.64207
123 3O26 NDP 0.0000000008122 0.63932 6.88406
124 4O1M NAD 0.00000008122 0.56638 6.88406
125 3A4V PYR 0.0000002758 0.56065 6.88406
126 3A4V NAD 0.0000002758 0.56065 6.88406
127 4PVD NDP 0.000000202 0.53683 6.88406
128 1WVG APR 0.000001366 0.50384 6.88406
129 5H81 NAP 0.007004 0.4076 6.88406
130 4K28 NAD 0.006548 0.40315 6.88406
131 3JUT GTQ 0.006325 0.42585 6.92308
132 3WMX NAD 0.0000005621 0.55967 7.24638
133 2JL1 NAP 0.00006104 0.43155 7.24638
134 4GKV NAD 0.003212 0.40366 7.24638
135 2PK3 A2R 0.000004958 0.45638 7.6087
136 1LVL NAD 0.002899 0.42734 7.6087
137 1FK8 NAD 0.0000000001578 0.70888 7.7821
138 1R6D NAD 0.000002459 0.54608 7.97101
139 1R6D DAU 0.000003002 0.54147 7.97101
140 3TLJ SAH 0.006388 0.40931 7.97101
141 1JG3 ADN 0.0149 0.40209 8.08511
142 3OJF IMJ 0.00000008058 0.58966 8.17121
143 3OJF NDP 0.00000009633 0.57616 8.17121
144 1B74 DGN 0.04913 0.40356 8.26772
145 3MJE NDP 0.00000001843 0.58973 8.33333
146 1ORR NAD 0.00000009107 0.57318 8.33333
147 1Y1P NMN AMP PO4 0.000005738 0.47065 8.33333
148 2F1K NAP 0.004867 0.40301 8.33333
149 3ORF NAD 0.0000003693 0.53717 8.36653
150 3ABI NAD 0.001333 0.41681 8.49315
151 3LU1 NAD 0.0000001446 0.5667 8.51648
152 2DKN NAI 0.00000000002332 0.71777 8.62745
153 2Q46 NAP 0.0000000045 0.60423 8.69565
154 1RKX NAD 0.00000004966 0.57884 8.69565
155 1GY8 NAD 0.0000002603 0.55209 8.69565
156 2GSD NAD 0.002186 0.41119 8.69565
157 3SSO SAH 0.003155 0.41062 8.69565
158 4KWI NAP 0.00000000008531 0.59908 8.74525
159 4KWI 1TJ 0.00000000009644 0.59013 8.74525
160 1IY8 NAD 0.0000000001744 0.67013 8.98876
161 2Q1W NAD 0.0000001905 0.54982 9.00901
162 2NAD NAD 0.002434 0.40941 9.05797
163 1M0S CIT 0.02331 0.41354 9.13242
164 1D7O NAD 0.0000009767 0.4947 9.42029
165 1HDO NAP 0.000002137 0.49998 9.70874
166 3RFV NAI 0.0000007166 0.5237 9.73783
167 3RFV 15L 0.00003848 0.45594 9.73783
168 4HXY NDP 0.00000002382 0.59071 9.78261
169 1NYT NAP 0.002511 0.41735 9.9631
170 2EG5 SAH 0.009316 0.42191 10.5072
171 4FC7 NAP 0.000000001932 0.65429 11.5942
172 4FC7 COA 0.000000001932 0.65429 11.5942
173 3G89 SAM 0.0003525 0.49072 12.0482
174 5UAV TFB 0.001486 0.41754 12.3188
175 5UAV NDP 0.003496 0.40227 12.3188
176 5HJM MTA 0.01168 0.40383 12.6812
177 2C5A NAD 0.0000001153 0.45129 13.0435
178 2C5A GDC 0.0000001153 0.45129 13.0435
179 4Q9N NAI 0.0000002278 0.55424 13.4058
180 1V35 NAI 0.000000731 0.55254 13.4058
181 1OC2 TDX 0.000002287 0.54957 13.4058
182 1OC2 NAD 0.000002287 0.54957 13.4058
183 4MDH NAD 0.0006769 0.43396 13.4058
184 1NNU TCT 0.02979 0.42049 13.4058
185 1NNU NAD 0.02979 0.42049 13.4058
186 5MDH NAD 0.000733 0.41395 13.4058
187 2DBZ NAP 0.001006 0.41285 13.4058
188 1W73 NAP 0.000000001883 0.67276 14.1304
189 1W8D NAP 0.000000001551 0.59718 14.1304
190 1W6U NAP 0.0000000005294 0.61211 14.4928
191 4CM4 NAP 0.000000003931 0.63217 15.2174
192 3BMQ NAP 0.000000002795 0.63149 15.2174
193 5JCJ NAP 0.000000004507 0.62989 15.2174
194 3JQF NAP 0.000000003335 0.62859 15.2174
195 3BMO NAP 0.000000005147 0.62767 15.2174
196 4CM9 NAP 0.000000001798 0.62656 15.2174
197 3JQA NAP 0.000000009501 0.62368 15.2174
198 5K6A NAP 0.000000002222 0.62323 15.2174
199 4CMI NAP 0.000000006943 0.62268 15.2174
200 3JQG NAP 0.00000001251 0.61901 15.2174
201 3JQB NAP 0.00000001518 0.61573 15.2174
202 4CME NAP 0.000000002653 0.61445 15.2174
203 3JQ8 NAP 0.000000004005 0.614 15.2174
204 3BMN NAP 0.000000004377 0.61261 15.2174
205 3JQ9 NAP 0.000000004616 0.61174 15.2174
206 4CM8 NAP 0.000000003681 0.60918 15.2174
207 5JDC NAP 0.000000004056 0.60776 15.2174
208 3JQ7 NAP 0.000000002741 0.60767 15.2174
209 5JDI NAP 0.00000000463 0.60585 15.2174
210 4CLR NAP 0.000000004629 0.60573 15.2174
211 4CLO NAP 0.000000003547 0.60329 15.2174
212 5JCJ 6JM 0.007864 0.44299 15.2174
213 3BMO AX4 0.03726 0.40695 15.2174
214 4CM4 4NR 0.03861 0.40414 15.2174
215 2VZ0 D64 0.00000011 0.62187 15.2985
216 2VZ0 NAP 0.00000011 0.62187 15.2985
217 2WD7 NAP 0.00000000548 0.60311 15.2985
218 4D42 NAP 0.00000008246 0.60121 15.5797
219 4D42 W0I 0.00000008246 0.60121 15.5797
220 3OIG NAD 0.0000001568 0.54629 15.7895
221 1MXH DHF 0.00000001884 0.60877 16.3043
222 1MXH NAP 0.00000002566 0.60363 16.3043
223 1NVM NAD 0.003196 0.40253 17.3913
224 1QG6 NAD 0.0000001563 0.58162 22.6054
225 1QG6 TCL 0.0000001563 0.58162 22.6054
226 1WMA AB3 0.0000000298 0.60971 22.8261
227 1WMA NDP 0.0000000298 0.60971 22.8261
228 5L4S NAP 0.00000001706 0.60854 22.8261
229 5L4S 6KX 0.00000001706 0.60854 22.8261
230 5CG1 NAD BBN 0.000001257 0.56542 22.8261
231 3RJ5 NAD 0.00000002994 0.53981 22.8346
232 1N5D NDP 0.000000004096 0.61914 23.1884
233 5L53 NAP 0.000000003492 0.56852 23.5507
234 1H5Q NAP 0.0000000003958 0.65689 24.1509
235 2C29 NAP 0.000001178 0.54738 24.6377
236 2C29 DQH 0.000001338 0.54523 24.6377
237 1Z45 NAD 0.0000008066 0.53848 24.6377
238 2FR1 NDP 0.0000003418 0.54073 25.7246
239 1ZK4 NAP 0.000000001933 0.64258 25.8964
240 1ZK4 AC0 0.003755 0.46116 25.8964
241 2CFC NAD 0.0000000001523 0.68644 26
242 3AY6 NAI 0.000000001361 0.58616 26.0223
243 3AY6 BGC 0.000000006384 0.49768 26.0223
244 4OHU 2TK 0.000000174 0.59466 26.087
245 4OHU NAD 0.000000174 0.59466 26.087
246 3GEG NAD 0.00000000000722 0.69811 26.3158
247 1BDB NAD 0.000000002283 0.61139 26.4493
248 2PD4 DCN 0.0000001085 0.5742 26.9091
249 2PD4 NAD 0.000000123 0.57214 26.9091
250 3ZV6 4HB 0.00000000157 0.6578 27.1739
251 3ZV6 NAD 0.000000001407 0.6578 27.1739
252 3VZS NAP 0.000000005856 0.52588 27.2374
253 3VZS CAA 0.00000005039 0.43328 27.2374
254 3WXB NDP 0.0000000006528 0.64881 27.5986
255 4O0L NDP 0.000000001665 0.63368 27.6364
256 4YAG NAI 0.00000006339 0.59533 27.8986
257 2DTX BMA 0.00000000001613 0.72863 28.4091
258 3A28 NAD 0.0000000004666 0.66088 29.0698
259 1GEE NAD 0.0000000001147 0.68393 29.1188
260 2GDZ NAD 0.00000000007115 0.67797 29.2135
261 1XHL NDP 0.0000000001208 0.67867 29.3478
262 2B4Q NAP 0.0000000001148 0.67054 29.3478
263 2WYV NAD 0.000001225 0.52319 29.5019
264 4ITU NAI 0.000000001077 0.62274 29.7398
265 4ITU 1HS 0.000000003245 0.54344 29.7398
266 1VL8 NAP 0.0000000001215 0.65586 29.9625
267 1A27 NAP 0.000000008651 0.60176 30.0725
268 3HB5 NAP 0.000000006747 0.50295 30.0725
269 1ZEM NAD 0.00000001337 0.57721 30.1527
270 3TN7 NJP 0.0000000000631 0.68655 30.3502
271 3SJU NDP 0.00000000005995 0.68738 30.4348
272 1GZ6 NAI 0.00000008936 0.56935 30.7971
273 3OID NDP 0.00000000008576 0.68679 31.0078
274 1PR9 NAP 0.000000000001015 0.75912 31.1475
275 3D3W NAP 0.000000000004199 0.73597 31.1475
276 3V1U NAD 0.0000000007339 0.61335 31.1594
277 1OAA OAA 0.000000000009384 0.74637 31.2741
278 1E3W NAD 0.0000000009415 0.64936 31.4176
279 1SNY NAP 0.000000003497 0.59654 31.4607
280 3QWI CUE 0.000000001664 0.65497 31.5217
281 3QWI NAP 0.0000000005202 0.65497 31.5217
282 1ZBQ NAD 0.00000008511 0.57224 31.5217
283 2RH4 EMO 0.0000000002594 0.55553 31.5217
284 1E6W NAD 0.0000000006101 0.65648 31.5385
285 5GT9 NAP 0.00000000004972 0.6904 31.5589
286 3SJ7 NDP 0.0000000001236 0.66198 31.746
287 4FN4 NAD 0.0000000004714 0.66071 31.8898
288 4NBW NAD 0.0000000001903 0.6483 31.9066
289 2BD0 NAP 0.00000000001315 0.70036 31.9672
290 1GEG NAD 0.0000000002426 0.67163 32.0312
291 1JA9 NDP 0.0000000006881 0.65043 32.1168
292 4J7U YTZ 0.00000000004898 0.71636 32.6389
293 4J7U NAP 0.00000000004898 0.71636 32.6389
294 1UAY ADN 0.000009128 0.5674 32.6446
295 3O03 NAP 0.00000001694 0.57481 32.971
296 2WSB NAD 0.0000000006293 0.66939 33.0709
297 1G0N PHH 0.0000000006929 0.66972 33.3333
298 1G0N NDP 0.0000000005647 0.66716 33.3333
299 4NBU NAI 0.0000000001646 0.67106 33.6
300 4CQM NAP 0.00000000062 0.64379 33.6066
301 5THQ NDP 0.000000000007247 0.71389 33.8235
302 4OSP NAP 0.00000000001453 0.69524 33.8403
303 1NFQ NAI 0.00000000004056 0.69638 33.8462
304 4ZA2 NAD 0.00000000004577 0.67835 33.9921
305 1UZN NAP 0.0000003474 0.47299 34.413
306 3U4C NDP 0.0000000009368 0.63061 34.7826
307 3ICC NAP 0.00000000000926 0.70581 34.902
308 1Z6Z NAP 0.000000000006386 0.71607 35.1064
309 1XG5 NAP 0.00000000001394 0.71094 35.1449
310 2Q2V NAD 0.0000000000397 0.69934 35.2941
311 4QED NAP 0.000000001853 0.6264 35.4839
312 1EDO NAP 0.00000000002593 0.70364 35.6557
313 1XKQ NDP 0.00000000006716 0.69077 35.8696
314 3AFN NAP 0.0000000000376 0.70023 36.0465
315 4NBT NAD 0.00000000007667 0.66983 36.25
316 1X1T NAD 0.0000000002602 0.64319 36.5385
317 3RKR NAP 0.00000008196 0.45834 37.0229
318 5T2U NAP 0.000000000002657 0.74343 37.0968
319 1O5I NAD 0.00000002451 0.52909 37.3494
320 5EPO NAP 0.000000002124 0.62403 37.4046
321 2ZAT NAP 0.000000000107 0.67149 37.6923
322 2AE2 NAP 0.000000000008062 0.74248 38.0769
323 2AE2 PTO 0.000000000008062 0.74248 38.0769
324 1Q7B NAP 0.000000001827 0.63847 38.5246
325 1AE1 NAP 0.00000000001096 0.72033 39.1941
326 5ITV NAI 0.00000000004227 0.69302 40
327 2JAH NDP 0.0000000001435 0.67328 40.081
328 2EWM NAD 0.00000000008092 0.68253 40.1606
329 2AG5 NAD 0.0000000002899 0.65566 40.2439
330 2BGM NAJ 0.000000008603 0.58415 40.5797
331 3NUG NAD 0.00000000005678 0.68825 40.8907
332 2JAP NDP 0.00000000008004 0.68271 41.2955
Pocket No.: 3; Query (leader) PDB : 4K26; Ligand: SFF; 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: 4k26.bio1) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4K26; Ligand: NDP; 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: 4k26.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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