Receptor
PDB id Resolution Class Description Source Keywords
1UXR 2.3 Å EC: 1.2.1.9 STRUCTURAL BASIS FOR ALLOSTERIC REGULATION AND SUBSTRATE SPE OF THE NON-PHOSPHORYLATING GLYCERALDEHYDE-3-PHOSPHATE DEHYD( GAPN) FROM THERMOPROTEUS TENAX THERMOPROTEUS TENAX GAPN ALDH FRUCTOSE 6-PHOSPHATE GLYCOLYSIS REGULATION CAOXIDOREDUCTASE
Ref.: STRUCTURAL BASIS OF ALLOSTERIC REGULATION AND SUBST SPECIFICITY OF THE NON-PHOSPHORYLATING GLYCERALDEHY 3-PHOSPHATE DEHYDROGENASE FROM THERMOPROTEUS TENAX J.MOL.BIOL. V. 341 815 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
F6P A:1503;
 Valid;
 none;
 submit data
260.136 C6 H13 O9 P C([C@...
NA A:1504;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
NAP A:1502;
 Valid;
 none;
 submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1KY8 2.4 Å EC: 1.2.1.9 CRYSTAL STRUCTURE OF THE NON-PHOSPHORYLATING GLYCERALDEHYDE- PHOSPHATE DEHYDROGENASE THERMOPROTEUS TENAX GAPN ALDH OXIDOREDUCTASE
Ref.: THE CRYSTAL STRUCTURE OF THE ALLOSTERIC NON-PHOSPHO GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE FROM THE HYPERTHERMOPHILIC ARCHAEUM THERMOPROTEUS TENAX J.BIOL.CHEM. V. 277 19938 2002
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1UXN - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1KY8 Kd = 1 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 1UXU - G3H C3 H7 O6 P C([C@H](C=....
4 1UXT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1UXV - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 1UXR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 1UXQ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1UXN - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
2 1KY8 Kd = 1 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 1UXU - G3H C3 H7 O6 P C([C@H](C=....
4 1UXT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1UXV - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 1UXR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
7 1UXQ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (73)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5AC1 - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
2 5L2O ic50 = 0.76 uM 6ZW C14 H17 N O2 CCN(CC)c1c....
3 6DUM ic50 = 0.08 uM A5Y C21 H17 F N4 O2 S c1ccc(cc1)....
4 7JWW ic50 = 0.36 uM VMG C22 H22 N4 O2 S C[C@H](c1c....
5 5L2N ic50 = 2.8 uM 6ZU C18 H16 O5 S CC1=C(C(=O....
6 1BXS - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 5ABM - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
8 7JWV ic50 = 0.6 uM VMJ C21 H20 N4 O2 S C[C@H](c1c....
9 7JWU ic50 = 0.242 uM VMA C19 H17 N5 O S C[C@H](c1c....
10 7JWS ic50 = 0.13 uM VLY C20 H18 N4 O S C[C@H](c1c....
11 5L2M Ki = 170 nM 6ZY C22 H25 N O4 Cc1c(oc2c1....
12 4X4L ic50 = 4.6 uM 3XG C21 H25 N3 O3 S2 CCOC(=O)CS....
13 5AC0 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 7JWT ic50 = 0.13 uM VM4 C20 H18 N4 O2 S C[C@H](c1c....
15 4WP7 ic50 = 0.8 uM 3SR C22 H30 N6 O4 CC(C)CCn1c....
16 4WB9 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 4WPN ic50 = 0.21 uM 3ST C19 H30 N6 O3 CC(C)CCn1c....
18 5AC2 - TXE C21 H31 N7 O14 P2 c1nc(c2c(n....
19 4I9B - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
20 4I3X - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
21 6J76 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
22 5N5S Kd = 31 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
23 6VR6 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
24 4PZ2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
25 2ID2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
26 1WNB - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
27 3IWK - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
28 4A0M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
29 4GNZ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
30 3RHR Kd = 5.7 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
31 3RHJ Kd = 0.0073 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
32 4GO2 - TAP C21 H28 N7 O16 P3 S c1cc(c[n+]....
33 2O2R - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
34 3RHL - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
35 3RHO Kd = 0.26 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
36 3RHQ Kd = 9.2 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
37 2O2Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
38 3JZ4 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
39 1O01 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
40 2ONM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
41 2VLE - DZN C21 H20 O9 c1cc(ccc1C....
42 3INL - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
43 3SZ9 - I3E C11 H14 O CCc1ccc(cc....
44 4FR8 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 1O04 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
46 3INJ - BXB C15 H11 Cl2 N O3 c1cc(c(c(c....
47 2ONP - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
48 1O02 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
49 5L13 Ki = 19 nM 6ZE C17 H18 O3 CCCC1=C(c2....
50 1NZX - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
51 4KWG Ki = 1 uM 2AK C9 H6 Br N O2 Cc1cc2c(c(....
52 4KWF Ki = 15 uM 3AK C15 H11 N O2 c1ccc(cc1)....
53 4FQF - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
54 1NZZ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
55 5X5U - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
56 2W8Q - SIN C4 H6 O4 C(CC(=O)O)....
57 2W8R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
58 1UXT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 1UXV - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
60 1UXR - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
61 1UXQ - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
62 2IMP - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
63 3ZQA - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
64 2WOX - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
65 5IUW - IAC C10 H9 N O2 c1ccc2c(c1....
66 5IUV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
67 1O9J - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
68 4I8P - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
69 3IWJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70 1T90 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
71 6ALJ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
72 6B5G Kd = 0.26 uM CQY C21 H26 N4 O4 S CCOc1ccsc1....
73 6B5H Kd = 1.1 uM CU4 C24 H17 F N4 O3 S CS(=O)(=O)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: F6P; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 TA6 1 1
2 F6P 1 1
3 FBP 0.666667 0.954545
4 AFP 0.666667 0.954545
5 SF6 0.564103 0.744186
6 FRU 0.564103 0.744186
7 PSV 0.564103 0.744186
8 LFR 0.564103 0.744186
9 SF9 0.564103 0.744186
10 FDP 0.55102 0.954545
11 F1X 0.531915 1
12 QIF 0.489796 0.787234
13 FRU FRU FRU FRU 0.464286 0.755556
14 FRU FRU FRU 0.464286 0.755556
15 Z9N GLC 0.45614 0.73913
16 S7P 0.444444 0.976744
17 AHG 0.431818 0.886364
18 ABF 0.404255 0.906977
19 HSX 0.404255 0.906977
20 RP5 0.404255 0.906977
Ligand no: 2; Ligand: NAP; Similar ligands found: 140
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 NAD IBO 0.716667 0.972222
8 NAD TDB 0.716667 0.972222
9 A3D 0.712 0.972603
10 NBP 0.707692 0.935065
11 NHD 0.68254 0.958904
12 NJP 0.661417 0.972973
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 AMP NAD 0.606061 0.958904
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 NAJ 0.567164 0.986111
23 A2R 0.563025 0.932432
24 NDC 0.561644 0.922078
25 NA7 0.552846 0.907895
26 ODP 0.551471 0.935065
27 A2P 0.539823 0.930556
28 8ID 0.537313 0.910256
29 NAD BBN 0.525974 0.865854
30 NPW 0.525547 0.8875
31 NZQ 0.521739 0.910256
32 CNA 0.521739 0.959459
33 NAD CJ3 0.519231 0.835294
34 NDP 0.514493 0.922078
35 PO4 PO4 A A A A PO4 0.503937 0.930556
36 1DG 0.503401 0.922078
37 DG1 0.503401 0.922078
38 TXP 0.5 0.922078
39 NMN AMP PO4 0.492958 0.921053
40 XNP 0.492958 0.875
41 25L 0.492308 0.958904
42 25A 0.492063 0.972222
43 NAD NDT 0.490909 0.747368
44 NMN 0.486726 0.888889
45 NGD 0.485714 0.935065
46 9JJ 0.481707 0.8875
47 2AM 0.477876 0.891892
48 NDP DTT 0.461538 0.843373
49 ADP 0.458333 0.945205
50 ADP MG 0.454545 0.944444
51 ADP BEF 0.454545 0.944444
52 A7R 0.452555 0.846154
53 PAP 0.451613 0.931507
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 7L1 0.441558 0.777778
57 ADP PO3 0.44 0.944444
58 AGS 0.44 0.896104
59 ATP MG 0.44 0.944444
60 M33 0.439024 0.906667
61 AR6 AR6 0.438849 0.945205
62 BA3 0.438017 0.945205
63 VO4 ADP 0.4375 0.945946
64 BEF ADP 0.436508 0.918919
65 OAD 0.43609 0.92
66 ADP BMA 0.43609 0.92
67 DQV 0.435714 0.958904
68 HEJ 0.435484 0.945205
69 ATP 0.435484 0.945205
70 OOB 0.435115 0.958904
71 AP5 0.434426 0.945205
72 B4P 0.434426 0.945205
73 GAP 0.433071 0.92
74 0WD 0.432432 0.922078
75 5FA 0.432 0.945205
76 2A5 0.432 0.87013
77 AQP 0.432 0.945205
78 AT4 0.430894 0.907895
79 HQG 0.430769 0.932432
80 00A 0.428571 0.909091
81 8LQ 0.427481 0.907895
82 DAL AMP 0.427481 0.932432
83 CA0 0.427419 0.92
84 ANP MG 0.426357 0.932432
85 ALF ADP 0.426357 0.871795
86 9X8 0.425373 0.871795
87 KG4 0.424 0.92
88 ACP 0.424 0.92
89 NAJ PZO 0.423841 0.897436
90 9SN 0.423358 0.897436
91 WAQ 0.422222 0.884615
92 ACQ 0.421875 0.92
93 V3L 0.421875 0.945205
94 ADQ 0.421053 0.92
95 AR6 0.420635 0.918919
96 APR 0.420635 0.918919
97 ATP A 0.42029 0.958333
98 ATP A A A 0.42029 0.958333
99 CO7 0.419753 0.786517
100 3OD 0.419118 0.92
101 1ZZ 0.419118 0.841463
102 DLL 0.41791 0.958904
103 AD9 0.417323 0.92
104 OVE 0.416667 0.857143
105 NAX 0.416667 0.875
106 QA7 0.416667 0.896104
107 MYR AMP 0.416058 0.841463
108 AV2 0.415385 0.868421
109 A3P 0.414634 0.944444
110 NNR 0.414414 0.72973
111 ALF ADP 3PG 0.413793 0.8625
112 OMR 0.413793 0.831325
113 6YZ 0.412214 0.92
114 ANP 0.410853 0.92
115 A1R 0.410448 0.860759
116 45A 0.409836 0.893333
117 ABM 0.409836 0.893333
118 AMP 0.408333 0.944444
119 A 0.408333 0.944444
120 SON 0.408 0.933333
121 PPS 0.407692 0.829268
122 8LE 0.407692 0.896104
123 5AL 0.407692 0.932432
124 NAI 0.406897 0.909091
125 7D3 0.406504 0.857143
126 AMP MG 0.404959 0.930556
127 ADX 0.404762 0.829268
128 ATF 0.40458 0.907895
129 3UK 0.404412 0.945946
130 AMP DBH 0.404255 0.894737
131 139 0.402685 0.875
132 50T 0.401575 0.906667
133 8LH 0.401515 0.907895
134 SRP 0.401515 0.907895
135 B5V 0.40146 0.933333
136 3AM 0.4 0.90411
137 B5M 0.4 0.921053
138 A3R 0.4 0.860759
139 KMQ 0.4 0.883117
140 FA5 0.4 0.933333
Similar Ligands (3D)
Ligand no: 1; Ligand: F6P; Similar ligands found: 438
No: Ligand Similarity coefficient
1 M6P 0.9518
2 G6P 0.9506
3 GLP 0.9456
4 M6D 0.9452
5 D6G 0.9396
6 3LJ 0.9318
7 TU0 0.9304
8 BG6 0.9272
9 NPL 0.9245
10 PLP 0.9203
11 PLR 0.9200
12 F1P 0.9186
13 A6P 0.9184
14 UFO 0.9164
15 4R1 0.9129
16 APZ 0.9123
17 GJK 0.9118
18 PTS 0.9115
19 PMP 0.9102
20 PXP 0.9099
21 C9M 0.9077
22 FER 0.9070
23 GRF 0.9065
24 6ME 0.9041
25 PAL 0.9027
26 I6G 0.9024
27 SSY 0.9021
28 N88 0.9019
29 QX4 0.9018
30 RGG 0.9016
31 MP5 0.9014
32 XQK 0.9010
33 20J 0.9008
34 2D3 0.9006
35 N7I 0.9006
36 MOK 0.9002
37 8W9 0.8997
38 1VQ 0.8995
39 LRW 0.8993
40 YO5 0.8988
41 SYR 0.8988
42 AZY 0.8977
43 PZP 0.8977
44 PLP PMP 0.8977
45 CIY 0.8969
46 9C2 0.8966
47 PH2 0.8961
48 DQU 0.8959
49 PA5 0.8959
50 A5P 0.8958
51 C9E 0.8956
52 RP3 0.8951
53 STT 0.8948
54 SXS 0.8946
55 HE8 0.8945
56 IL5 0.8943
57 4TP 0.8938
58 GM7 0.8938
59 GJS 0.8935
60 5WM 0.8933
61 NIY 0.8933
62 5WN 0.8931
63 IOP 0.8930
64 HBO 0.8930
65 I2E 0.8929
66 R1P 0.8929
67 OTW 0.8927
68 1QV 0.8923
69 GZ8 0.8923
70 QR2 0.8920
71 QAT 0.8918
72 CTN 0.8916
73 JVA 0.8911
74 GT1 0.8908
75 4V6 0.8904
76 3TJ 0.8902
77 GPM 0.8902
78 GL6 0.8902
79 CWS 0.8901
80 B62 0.8900
81 BGP 0.8899
82 8CM 0.8899
83 6PR 0.8898
84 39O 0.8896
85 3Z8 0.8895
86 QAS 0.8894
87 V2Z 0.8891
88 N8Y 0.8891
89 R5P 0.8890
90 KUF 0.8890
91 FDR 0.8888
92 IPD 0.8887
93 0P6 0.8885
94 DXP 0.8884
95 44W 0.8883
96 MVN 0.8883
97 G1P 0.8880
98 LXP 0.8879
99 M1P 0.8877
100 5SP 0.8874
101 CKU 0.8874
102 HHR 0.8873
103 14W 0.8872
104 GFP 0.8868
105 KWB 0.8868
106 B5D 0.8867
107 XHP 0.8864
108 7WR 0.8863
109 OSB 0.8862
110 TRP 0.8862
111 HQD 0.8861
112 RCV 0.8860
113 DPZ 0.8859
114 PMV 0.8858
115 DNA 0.8858
116 GDE 0.8855
117 Q71 0.8854
118 V1T 0.8852
119 VK3 0.8852
120 YTX 0.8842
121 49N 0.8841
122 Q77 0.8841
123 KT7 0.8841
124 0FO 0.8840
125 DHC 0.8836
126 44V 0.8833
127 5P3 0.8830
128 NFZ 0.8829
129 2FQ 0.8829
130 2V0 0.8828
131 9BF 0.8826
132 TYU 0.8824
133 L7T 0.8823
134 2GQ 0.8823
135 0FK 0.8821
136 BEA 0.8821
137 NBG 0.8819
138 CLZ 0.8818
139 M7P 0.8816
140 YQA 0.8813
141 5VJ 0.8813
142 IBM 0.8812
143 KGK 0.8808
144 O2Y 0.8808
145 8MO 0.8807
146 X04 0.8804
147 NHT 0.8804
148 JKZ 0.8804
149 MRU 0.8802
150 2K8 0.8801
151 9F8 0.8800
152 8HC 0.8798
153 R52 0.8797
154 F69 0.8797
155 6NZ 0.8793
156 JR2 0.8793
157 BPU 0.8790
158 PBG 0.8790
159 CR1 0.8790
160 EGR 0.8787
161 QMS 0.8786
162 URC 0.8786
163 VXX 0.8781
164 D5X 0.8780
165 GC3 0.8779
166 UFV 0.8778
167 60Q 0.8776
168 9GP 0.8775
169 H5B 0.8775
170 AC2 0.8774
171 URI 0.8774
172 DAH 0.8774
173 FLV 0.8773
174 4FE 0.8771
175 NAG 0.8771
176 6DP 0.8769
177 VM1 0.8766
178 97T 0.8766
179 M3Q 0.8765
180 4Z9 0.8764
181 NLQ 0.8764
182 5OO 0.8763
183 49O 0.8762
184 DER 0.8761
185 P80 0.8760
186 LT8 0.8760
187 STV 0.8758
188 5NS 0.8758
189 EJZ 0.8758
190 5GT 0.8758
191 SG2 0.8757
192 TQU 0.8754
193 Z5P 0.8753
194 5RP 0.8753
195 LSQ 0.8752
196 5F8 0.8752
197 HKD 0.8752
198 HPT 0.8751
199 H35 0.8751
200 RVE 0.8751
201 JV4 0.8750
202 PRF 0.8749
203 AMG 0.8749
204 49P 0.8745
205 61O 0.8744
206 G6Q 0.8744
207 AMR 0.8744
208 LTN 0.8744
209 MTS 0.8743
210 4XV 0.8743
211 JTH 0.8743
212 1Z8 0.8739
213 DEE 0.8738
214 GCB 0.8737
215 HHS 0.8736
216 LDR 0.8735
217 GCU 0.8734
218 N2M 0.8734
219 OA3 0.8733
220 Q5M 0.8733
221 DNC 0.8731
222 U7E 0.8730
223 5FL 0.8730
224 KFH 0.8730
225 SXX 0.8729
226 ALA PRO 0.8728
227 26E 0.8728
228 7ZL 0.8727
229 P4L 0.8727
230 ZYR 0.8726
231 2OR 0.8725
232 6HP 0.8724
233 86J 0.8723
234 GTR 0.8722
235 R10 0.8722
236 HLZ 0.8721
237 M3N 0.8719
238 QSH 0.8719
239 0LO 0.8717
240 SNR 0.8716
241 F6R 0.8714
242 VNL 0.8713
243 RDY 0.8713
244 8U3 0.8712
245 FA6 0.8712
246 CBF 0.8711
247 LEL 0.8711
248 BDP 0.8710
249 2HC 0.8708
250 EXD 0.8708
251 78P 0.8707
252 5F5 0.8707
253 GC2 0.8706
254 2UZ 0.8706
255 DXK 0.8705
256 AVA 0.8704
257 LSA 0.8703
258 4ME 0.8701
259 GTC 0.8701
260 MBG 0.8700
261 23J 0.8699
262 3IL 0.8699
263 EWG 0.8699
264 F40 0.8698
265 RXA 0.8698
266 363 0.8696
267 LZ2 0.8696
268 92P 0.8695
269 28N 0.8695
270 1X4 0.8691
271 6PG 0.8691
272 ZIP 0.8690
273 P7Y 0.8685
274 RKV 0.8684
275 KTW 0.8683
276 MWP 0.8683
277 BM3 0.8682
278 SYA 0.8682
279 DG2 0.8681
280 DHK 0.8680
281 1N4 0.8678
282 GO8 0.8678
283 M0Q 0.8676
284 5E5 0.8676
285 IOS 0.8674
286 495 0.8673
287 0F9 0.8673
288 4KL 0.8671
289 GYP 0.8669
290 M3L 0.8669
291 KDN 0.8668
292 NQ 0.8668
293 IPT 0.8667
294 K3Q 0.8666
295 SQP 0.8666
296 TB8 0.8665
297 ZZU 0.8663
298 6Q3 0.8663
299 2UD 0.8662
300 6J5 0.8662
301 J9Q 0.8662
302 B41 0.8659
303 5FN 0.8657
304 EVA 0.8657
305 MPK 0.8657
306 61M 0.8657
307 L22 0.8655
308 MIL 0.8655
309 0N7 0.8654
310 JF1 0.8652
311 NTF 0.8651
312 DCZ 0.8651
313 DUR 0.8648
314 DIN 0.8648
315 R8V 0.8648
316 0W1 0.8646
317 4XS 0.8646
318 7I2 0.8645
319 AHL 0.8643
320 GOX 0.8642
321 NPA 0.8641
322 3D8 0.8639
323 YOF 0.8637
324 XXG 0.8636
325 I4D 0.8636
326 DI6 0.8634
327 NOK 0.8634
328 HMQ 0.8634
329 YIP 0.8633
330 I5A 0.8633
331 KYA 0.8632
332 MUR 0.8631
333 Q6T 0.8630
334 F5C 0.8629
335 ONR 0.8629
336 57O 0.8628
337 KYN 0.8627
338 APS 0.8624
339 MRW 0.8624
340 293 0.8620
341 ALE 0.8619
342 8XQ 0.8619
343 TZP 0.8618
344 AEH 0.8618
345 4XF 0.8614
346 MMS 0.8613
347 ESI 0.8612
348 OMD 0.8612
349 4U7 0.8612
350 ZME 0.8611
351 B4O 0.8609
352 CFA 0.8608
353 KBR 0.8608
354 289 0.8607
355 ZEZ 0.8607
356 EQA 0.8605
357 PW1 0.8605
358 1QP 0.8604
359 9PY 0.8604
360 PRZ 0.8603
361 9KT 0.8601
362 FXH 0.8601
363 3C5 0.8601
364 IYR 0.8600
365 4NO 0.8599
366 NQH 0.8599
367 TZM 0.8599
368 ZEA 0.8599
369 IVL 0.8597
370 GLS 0.8596
371 C1F 0.8596
372 H7Y 0.8595
373 GL1 0.8595
374 CHQ 0.8594
375 7ZE 0.8593
376 MUX 0.8592
377 4TU 0.8592
378 3Y7 0.8591
379 BP7 0.8591
380 8NX 0.8589
381 TWO 0.8587
382 OX2 0.8584
383 878 0.8584
384 X6W 0.8582
385 A1Y 0.8582
386 BY5 0.8582
387 MT8 0.8580
388 091 0.8580
389 CKX 0.8579
390 ZEC 0.8577
391 7ME 0.8576
392 8TX 0.8576
393 JF2 0.8576
394 8G6 0.8575
395 KLV 0.8574
396 2O6 0.8574
397 AX3 0.8573
398 5QX 0.8572
399 4BX 0.8571
400 4HC 0.8571
401 J9W 0.8570
402 5TO 0.8569
403 4GP 0.8568
404 8NB 0.8567
405 X48 0.8566
406 XM5 0.8565
407 R9Y 0.8565
408 ZON 0.8565
409 RBV 0.8563
410 BGT 0.8563
411 HNQ 0.8563
412 DX3 0.8562
413 3SU 0.8562
414 QIV 0.8561
415 2KA 0.8561
416 ADA 0.8560
417 LL1 0.8558
418 96Z 0.8558
419 GZ2 0.8556
420 5WY 0.8554
421 ROI 0.8551
422 W8G 0.8550
423 1FE 0.8549
424 GAL 0.8549
425 2LT 0.8548
426 16G 0.8543
427 ACE PHE 0.8543
428 C4E 0.8542
429 S6P 0.8540
430 K2P 0.8539
431 680 0.8538
432 F06 0.8536
433 0FN 0.8536
434 DBX 0.8534
435 CL9 0.8523
436 SRO 0.8522
437 ASE 0.8521
438 SER PRO 0.8515
Ligand no: 2; Ligand: NAP; Similar ligands found: 4
No: Ligand Similarity coefficient
1 TXD 0.9146
2 6V0 0.9079
3 AP0 0.8967
4 TXE 0.8646
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1KY8; Ligand: NAP; Similar sites found with APoc: 24
This union binding pocket(no: 1) in the query (biounit: 1ky8.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 4OE4 NAD 36.7265
2 4OE4 NAD 36.7265
3 3HAZ NAD 37.3253
4 4NS3 NAD 38.1238
5 4NS3 NAD 38.1238
6 6X99 DPR 42.6854
7 6X99 DPR 42.6854
8 6X99 DPR 42.6854
9 6X99 DPR 42.6854
10 4I3V NAD 42.8279
11 5N5S NAP 44.1118
12 5N5S NAP 44.1118
13 5N5S NAP 44.1118
14 5N5S NAP 44.1118
15 5X5U NAD 45.3465
16 5X5U NAD 45.3465
17 5L13 6ZE 46.1078
18 5L13 6ZE 46.1078
19 5L13 6ZE 46.1078
20 5L13 6ZE 46.1078
21 1O9J NAD 47.1058
22 1O9J NAD 47.1058
23 1O9J NAD 47.1058
24 1O9J NAD 47.1058
Pocket No.: 2; Query (leader) PDB : 1KY8; Ligand: NAP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1ky8.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1KY8; Ligand: NAP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1ky8.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1KY8; Ligand: NAP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1ky8.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
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