Receptor
PDB id Resolution Class Description Source Keywords
1UXQ 2.4 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 GLUCOSE 1-PHOSPHATE GLYCOLYSIS REGULATION CATOXIDOREDUCTASE
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
G1P 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: G1P; Similar ligands found: 44
No: Ligand ECFP6 Tc MDL keys Tc
1 GL1 1 1
2 XGP 1 1
3 M1P 1 1
4 G1P 1 1
5 R1P 0.852941 0.904762
6 JV4 0.675 0.904762
7 GFP 0.533333 0.909091
8 GP1 0.533333 0.833333
9 RI2 0.533333 0.837209
10 MBG 0.512195 0.674419
11 AMG 0.512195 0.674419
12 GYP 0.512195 0.674419
13 MMA 0.512195 0.674419
14 G16 0.5 0.928571
15 NG1 0.480769 0.754717
16 GN1 0.480769 0.754717
17 BGC XGP 0.472727 0.863636
18 MAN IPD MAN 0.471698 0.863636
19 IPD MAN 0.462963 0.904762
20 GLC G6P 0.461538 0.863636
21 BQZ 0.456522 0.707317
22 YO5 0.454545 0.883721
23 GPM 0.454545 0.883721
24 2M8 0.44 0.714286
25 BNX 0.434783 1
26 ALX 0.434783 1
27 GMB 0.433962 0.928571
28 56N 0.431373 0.697674
29 RGG 0.428571 0.690476
30 GAT 0.423077 0.6
31 MK0 0.42029 0.75
32 DEG 0.42 0.617021
33 GAL PHB 0.418182 0.681818
34 GLC U8V 0.418182 0.652174
35 MMA MAN 0.415094 0.666667
36 GPM GLC 0.413793 0.844444
37 MBG GLA 0.411765 0.666667
38 BGC GLA GAL 0.411765 0.697674
39 BGC GLC GLC GLC GLC GLC 0.407407 0.697674
40 BGC GLC GLC GLC GLC 0.407407 0.697674
41 J5B 0.403846 0.630435
42 GAL GLA 0.403846 0.697674
43 EBQ 0.403846 0.630435
44 FUC GAL 0.4 0.697674
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: G1P; Similar ligands found: 594
No: Ligand Similarity coefficient
1 GRX 0.9620
2 NBG 0.9589
3 CR1 0.9511
4 JVA 0.9499
5 GC3 0.9429
6 9GP 0.9407
7 IPT 0.9349
8 6HP 0.9330
9 JVS 0.9240
10 GL6 0.9224
11 I4D 0.9220
12 QMS 0.9220
13 IPD 0.9206
14 4KL 0.9199
15 MIG 0.9193
16 X1P 0.9192
17 5OF 0.9184
18 CGW 0.9183
19 BG6 0.9181
20 G6P 0.9181
21 GI3 0.9165
22 TQU 0.9158
23 S3P 0.9152
24 NGO 0.9150
25 M3Q 0.9145
26 OX2 0.9143
27 LIP 0.9141
28 CSN 0.9140
29 LZ2 0.9138
30 JTH 0.9127
31 5WN 0.9125
32 CG8 0.9123
33 NQH 0.9121
34 NBV 0.9120
35 57O 0.9116
36 MUX 0.9113
37 0FK 0.9109
38 ALN 0.9106
39 3RI 0.9100
40 X0T 0.9098
41 209 0.9098
42 9KH 0.9097
43 PVQ 0.9096
44 30G 0.9092
45 STT 0.9091
46 OUB 0.9091
47 PVK 0.9091
48 6DP 0.9090
49 CPW 0.9089
50 NAG 0.9085
51 SG2 0.9084
52 M6P 0.9073
53 M6D 0.9071
54 94E 0.9065
55 PLP 0.9064
56 CKA 0.9061
57 A1Y 0.9060
58 5NS 0.9057
59 NLA 0.9057
60 8HC 0.9054
61 SYE 0.9051
62 IBM 0.9048
63 NGT 0.9046
64 H33 0.9046
65 IOS 0.9042
66 F5C 0.9039
67 MYI 0.9038
68 K3Q 0.9037
69 5FN 0.9035
70 NPA 0.9035
71 NB1 0.9033
72 F52 0.9030
73 JP2 0.9030
74 67Y 0.9028
75 SBK 0.9027
76 790 0.9022
77 GC2 0.9021
78 NWD 0.9020
79 B41 0.9014
80 K32 0.9012
81 4R1 0.9010
82 GOX 0.9010
83 8XQ 0.9009
84 4XV 0.9006
85 0F9 0.9005
86 8U3 0.9001
87 KYA 0.8998
88 LOG 0.8997
89 VYM 0.8994
90 96U 0.8993
91 PXP 0.8992
92 LI6 0.8987
93 X04 0.8987
94 QIF 0.8987
95 HA6 0.8984
96 2UD 0.8984
97 772 0.8984
98 ZON 0.8984
99 LP8 0.8982
100 UFO 0.8982
101 KFN 0.8980
102 UFV 0.8979
103 2O6 0.8979
104 GLP 0.8977
105 JR2 0.8974
106 TXW 0.8970
107 XFE 0.8962
108 E7R 0.8960
109 T6Z 0.8959
110 GLG 0.8956
111 AC2 0.8956
112 MHK 0.8955
113 DTR 0.8954
114 BB4 0.8954
115 5WU 0.8953
116 GI1 0.8953
117 SRO 0.8953
118 ONR 0.8953
119 TNX 0.8952
120 8W9 0.8952
121 V1T 0.8952
122 7ZC 0.8949
123 9KT 0.8948
124 EYM 0.8947
125 OKM 0.8943
126 EYA 0.8942
127 NGW 0.8939
128 657 0.8935
129 BDP 0.8935
130 FXH 0.8935
131 DNC 0.8931
132 IOP 0.8931
133 2JK 0.8928
134 SYR 0.8927
135 1VQ 0.8925
136 N7I 0.8925
137 GF4 0.8925
138 B4O 0.8921
139 512 0.8921
140 GT0 0.8921
141 IQ5 0.8919
142 EXR 0.8916
143 BGP 0.8916
144 HNQ 0.8913
145 HQD 0.8913
146 96R 0.8912
147 28S 0.8911
148 YTX 0.8910
149 KED 0.8909
150 54X 0.8907
151 K25 0.8907
152 K37 0.8906
153 I59 0.8904
154 H5B 0.8904
155 SYA 0.8901
156 3AK 0.8899
157 MNP 0.8899
158 PRZ 0.8897
159 K22 0.8895
160 IAC 0.8894
161 EXL 0.8893
162 505 0.8893
163 B56 0.8891
164 CIP 0.8890
165 S3B 0.8888
166 KGK 0.8887
167 4XS 0.8887
168 96Z 0.8887
169 2SX 0.8887
170 NPL 0.8887
171 NCV 0.8885
172 4OG 0.8885
173 ZYR 0.8883
174 HSX 0.8882
175 OIA 0.8882
176 8WZ 0.8881
177 1AL 0.8880
178 CCV 0.8880
179 PMP 0.8880
180 F6P 0.8880
181 LTN 0.8879
182 5GT 0.8878
183 3LJ 0.8876
184 7I2 0.8876
185 DPZ 0.8875
186 ABF 0.8872
187 ARP 0.8870
188 67X 0.8870
189 7WR 0.8868
190 DNA 0.8866
191 ASC 0.8866
192 PXL 0.8863
193 327 0.8863
194 9BF 0.8859
195 DNF 0.8859
196 9FQ 0.8857
197 5NE 0.8857
198 KG1 0.8856
199 MFR 0.8856
200 3Y7 0.8854
201 DHY 0.8852
202 TSR 0.8850
203 3J8 0.8850
204 DTE 0.8849
205 BM3 0.8849
206 CRB 0.8847
207 M5H 0.8847
208 7MK 0.8847
209 MQG 0.8844
210 TRP 0.8843
211 W22 0.8842
212 S7G 0.8842
213 8GK 0.8840
214 L7T 0.8840
215 1X8 0.8839
216 9FE 0.8835
217 3C4 0.8835
218 2GQ 0.8834
219 EYY 0.8833
220 GL7 0.8833
221 HBO 0.8832
222 CWD 0.8831
223 JUO 0.8830
224 TA6 0.8829
225 I7A 0.8829
226 XQK 0.8829
227 VXX 0.8829
228 GL2 0.8827
229 EV2 0.8827
230 RH1 0.8825
231 5WT 0.8824
232 EXD 0.8824
233 S7B 0.8823
234 NIY 0.8823
235 NDG 0.8823
236 XEN 0.8820
237 QZ8 0.8820
238 HPT 0.8819
239 S3C 0.8819
240 VNL 0.8818
241 TNF 0.8818
242 AY4 0.8818
243 5V7 0.8818
244 B61 0.8818
245 537 0.8815
246 UXH 0.8815
247 GDL 0.8814
248 49O 0.8813
249 78P 0.8812
250 TWO 0.8810
251 BNT 0.8809
252 UAN 0.8809
253 15L 0.8809
254 61M 0.8808
255 LDR 0.8806
256 372 0.8805
257 APS 0.8804
258 CKX 0.8801
259 AMR 0.8800
260 39U 0.8799
261 F2W 0.8799
262 BQ2 0.8799
263 DEW 0.8798
264 N2M 0.8798
265 M6Z 0.8797
266 MA3 0.8797
267 S0G 0.8797
268 R6T 0.8797
269 7FF 0.8796
270 PLR 0.8796
271 EV3 0.8795
272 NHT 0.8794
273 6VD 0.8793
274 ZME 0.8791
275 CIT 0.8790
276 GCB 0.8789
277 DK1 0.8789
278 FWD 0.8789
279 2CZ 0.8789
280 N8Y 0.8788
281 KLK 0.8788
282 EVA 0.8787
283 9UL 0.8786
284 692 0.8786
285 AH9 0.8786
286 EMZ 0.8786
287 5RO 0.8785
288 MPP 0.8784
289 DC5 0.8784
290 JAK 0.8783
291 774 0.8783
292 L21 0.8782
293 GL5 0.8781
294 4VS 0.8781
295 C2Y 0.8781
296 PEY 0.8779
297 0N7 0.8779
298 1FF 0.8779
299 R9G 0.8778
300 KIF 0.8777
301 9AP 0.8777
302 GCU 0.8777
303 KTW 0.8775
304 1QP 0.8774
305 EUH 0.8771
306 JKZ 0.8770
307 L5E 0.8770
308 6HO 0.8770
309 IWD 0.8767
310 CLU 0.8765
311 ONZ 0.8764
312 BWD 0.8763
313 MS0 0.8762
314 Z5P 0.8761
315 GNM 0.8761
316 7MX 0.8761
317 BGC 0.8760
318 MIF 0.8759
319 GIM 0.8759
320 CHQ 0.8759
321 AM1 0.8758
322 4MU 0.8758
323 ESI 0.8758
324 5JT 0.8757
325 N1E 0.8755
326 1VK 0.8754
327 680 0.8753
328 DG2 0.8753
329 2LT 0.8752
330 9F8 0.8751
331 1QV 0.8750
332 3EB 0.8749
333 GNR 0.8747
334 MQB 0.8746
335 BK9 0.8744
336 HBI 0.8743
337 6J9 0.8742
338 PW1 0.8742
339 GO8 0.8741
340 FLV 0.8741
341 EYV 0.8740
342 SKF 0.8740
343 4NS 0.8740
344 CTE 0.8738
345 TRF 0.8737
346 NOK 0.8737
347 1X7 0.8736
348 PH2 0.8734
349 NVU 0.8731
350 BY5 0.8731
351 K68 0.8728
352 CFA 0.8728
353 RP5 0.8727
354 AX3 0.8726
355 I2E 0.8726
356 B23 0.8725
357 MXD 0.8725
358 HHS 0.8724
359 REL 0.8723
360 GTV 0.8723
361 OSB 0.8722
362 JF2 0.8722
363 8S0 0.8720
364 GLC 0.8719
365 EGR 0.8719
366 H7S 0.8718
367 9ZE 0.8718
368 B21 0.8716
369 HA5 0.8716
370 M02 0.8716
371 0XT 0.8716
372 2D3 0.8715
373 H6B 0.8715
374 K2P 0.8714
375 E1K 0.8714
376 FDR 0.8714
377 M4B 0.8714
378 CP7 0.8713
379 15N 0.8713
380 8XL 0.8713
381 MAN 0.8712
382 P84 0.8712
383 GAL 0.8711
384 LAO 0.8710
385 5VJ 0.8708
386 H35 0.8708
387 H7Y 0.8708
388 8HG 0.8707
389 AIN 0.8707
390 DJN 0.8705
391 2K8 0.8705
392 1ER 0.8705
393 ALR 0.8705
394 JTA 0.8704
395 HQJ 0.8704
396 PQZ 0.8703
397 LTM 0.8702
398 N88 0.8702
399 JF1 0.8700
400 OMD 0.8698
401 R8Y 0.8697
402 F34 0.8696
403 KF5 0.8696
404 BOQ 0.8695
405 I6G 0.8695
406 DBS 0.8695
407 6ZW 0.8694
408 FER 0.8694
409 TLM 0.8693
410 5P3 0.8693
411 W8G 0.8693
412 AEH 0.8692
413 MOK 0.8692
414 F6R 0.8691
415 HWH 0.8691
416 BZJ 0.8691
417 28N 0.8688
418 GNV 0.8688
419 MZM 0.8686
420 TSS 0.8685
421 2UZ 0.8684
422 SHG 0.8683
423 0J5 0.8681
424 5VL 0.8680
425 3B4 0.8679
426 ITP 0.8679
427 F95 0.8677
428 DA4 0.8676
429 IL5 0.8676
430 PNP 0.8675
431 535 0.8675
432 289 0.8674
433 AH3 0.8673
434 2KA 0.8673
435 TEP 0.8672
436 BZM 0.8671
437 4B0 0.8671
438 NZ9 0.8671
439 MP5 0.8670
440 CP6 0.8669
441 AAN 0.8667
442 KFH 0.8667
443 BIE 0.8665
444 3VX 0.8665
445 JAA 0.8662
446 PFB 0.8662
447 FCD 0.8661
448 UQ1 0.8660
449 4I8 0.8660
450 9PY 0.8660
451 DRG 0.8659
452 XQI 0.8658
453 GLS 0.8657
454 MXX 0.8657
455 X09 0.8656
456 GSY 0.8655
457 AA 0.8655
458 PJW 0.8655
459 5RP 0.8654
460 3MG 0.8654
461 M3N 0.8654
462 DX3 0.8654
463 7ME 0.8653
464 L07 0.8653
465 BGU 0.8652
466 8G6 0.8651
467 MVL 0.8650
468 MAJ 0.8650
469 THM 0.8648
470 ZIQ 0.8647
471 3A9 0.8647
472 CFF 0.8643
473 3GC 0.8643
474 78U 0.8643
475 BPS 0.8643
476 8NX 0.8643
477 ASE 0.8642
478 3N4 0.8641
479 THA 0.8641
480 OTD 0.8640
481 HKD 0.8640
482 CTS 0.8639
483 GIV 0.8638
484 HLD 0.8636
485 TZM 0.8635
486 QQQ 0.8635
487 KJU 0.8635
488 KBG 0.8634
489 GDE 0.8634
490 89J 0.8633
491 YE7 0.8632
492 9UG 0.8632
493 BMA 0.8632
494 NTZ 0.8630
495 BCK 0.8628
496 BPY 0.8628
497 L46 0.8628
498 2CL 0.8628
499 FA6 0.8627
500 HHT 0.8625
501 1F1 0.8625
502 2KU 0.8625
503 61O 0.8625
504 CEG 0.8624
505 MAG 0.8622
506 I3C 0.8619
507 4SX 0.8619
508 6R8 0.8619
509 6QF 0.8618
510 NDM 0.8615
511 SNG 0.8615
512 CUT 0.8614
513 FOT 0.8614
514 L8J 0.8613
515 LEL 0.8613
516 D1G 0.8613
517 4FH 0.8612
518 KDM 0.8611
519 ANF 0.8611
520 9H2 0.8610
521 R9Y 0.8610
522 7L4 0.8610
523 VK3 0.8607
524 URC 0.8607
525 G3F 0.8605
526 FF2 0.8605
527 MIL 0.8605
528 CLZ 0.8604
529 N2I 0.8603
530 GNL 0.8603
531 FC2 0.8603
532 DHK 0.8602
533 0JD 0.8601
534 E7S 0.8601
535 ANC 0.8599
536 AGP 0.8599
537 FUZ 0.8596
538 64C 0.8596
539 FLC 0.8595
540 5GV 0.8594
541 UEG 0.8594
542 JND 0.8593
543 TR4 0.8593
544 DI6 0.8593
545 5AD 0.8592
546 3R6 0.8591
547 LGC 0.8590
548 12T 0.8590
549 H70 0.8589
550 I7B 0.8588
551 QSH 0.8587
552 GNY 0.8586
553 GCS 0.8583
554 5DS 0.8582
555 AJD 0.8581
556 2V0 0.8579
557 92P 0.8579
558 HJB 0.8578
559 TQL 0.8576
560 AJ1 0.8576
561 MNS 0.8573
562 1FE 0.8571
563 A2G 0.8570
564 2ZQ 0.8569
565 8MO 0.8567
566 BRV 0.8565
567 X05 0.8564
568 GTR 0.8563
569 1A7 0.8562
570 KWQ 0.8560
571 DQA 0.8560
572 X0V 0.8559
573 Q5M 0.8554
574 XM5 0.8554
575 P4L 0.8553
576 4TU 0.8553
577 QM1 0.8551
578 2H5 0.8550
579 0W1 0.8547
580 2J9 0.8545
581 27B 0.8543
582 SOR 0.8542
583 J01 0.8542
584 TLG 0.8542
585 3VW 0.8541
586 5GU 0.8540
587 ZZZ 0.8531
588 DHC 0.8526
589 M78 0.8525
590 HTP 0.8524
591 MT5 0.8522
592 5PX 0.8519
593 ZEA 0.8512
594 SKM 0.8509
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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