Receptor
PDB id Resolution Class Description Source Keywords
1H5Q 1.5 Å EC: 1.1.1.138 MANNITOL DEHYDROGENASE FROM AGARICUS BISPORUS AGARICUS BISPORUS OXIDOREDUCTASE MANNITOL METABOLISM
Ref.: THE CRYSTALLOGRAPHIC STRUCTURE OF THE MANNITOL 2-DEHYDROGENASE NADP+ BINARY COMPLEX FROM AGARICUS BISPORUS J.BIOL.CHEM. V. 276 27555 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAP A:263;
B:263;
C:263;
D:263;
E:263;
F:263;
G:263;
H:263;
I:263;
J:263;
K:263;
L:263;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
NI A:2263;
B:2263;
E:3263;
F:3263;
I:3263;
J:3263;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
58.693 Ni [Ni+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1H5Q 1.5 Å EC: 1.1.1.138 MANNITOL DEHYDROGENASE FROM AGARICUS BISPORUS AGARICUS BISPORUS OXIDOREDUCTASE MANNITOL METABOLISM
Ref.: THE CRYSTALLOGRAPHIC STRUCTURE OF THE MANNITOL 2-DEHYDROGENASE NADP+ BINARY COMPLEX FROM AGARICUS BISPORUS J.BIOL.CHEM. V. 276 27555 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1H5Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1H5Q - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
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: NAP; Similar ligands found: 127
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NAD IBO 0.688 0.921053
10 NHD 0.68254 0.958904
11 NJP 0.661417 0.972973
12 NAJ PYZ 0.659091 0.898734
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 NXX 0.619048 0.959459
16 ZID 0.605839 0.972603
17 NAQ 0.59854 0.922078
18 ATR 0.59292 0.917808
19 NAE 0.591241 0.946667
20 NDE 0.58042 0.986301
21 A22 0.571429 0.958904
22 AMP NAD 0.571429 0.933333
23 NAJ 0.567164 0.986111
24 A2R 0.563025 0.932432
25 NDC 0.561644 0.922078
26 NA7 0.552846 0.907895
27 ODP 0.551471 0.935065
28 A2P 0.539823 0.930556
29 8ID 0.537313 0.910256
30 NAD BBN 0.525974 0.865854
31 NPW 0.525547 0.8875
32 CNA 0.521739 0.959459
33 NZQ 0.521739 0.910256
34 NAD CJ3 0.519231 0.835294
35 NDP 0.514493 0.922078
36 PO4 PO4 A A A A PO4 0.503937 0.930556
37 DG1 0.503401 0.922078
38 1DG 0.503401 0.922078
39 NAD TDB 0.5 0.696078
40 TXP 0.5 0.922078
41 NMN AMP PO4 0.492958 0.921053
42 XNP 0.492958 0.875
43 25L 0.492308 0.958904
44 25A 0.492063 0.972222
45 NAD NDT 0.490909 0.747368
46 NMN 0.486726 0.888889
47 NGD 0.485714 0.935065
48 2AM 0.477876 0.891892
49 ADP 0.458333 0.945205
50 PAP 0.451613 0.931507
51 ADP MG 0.45082 0.906667
52 BEF ADP 0.447154 0.883117
53 ADP BEF 0.447154 0.883117
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 ADP PO3 0.44 0.944444
57 SAP 0.44 0.896104
58 AGS 0.44 0.896104
59 M33 0.439024 0.906667
60 AR6 AR6 0.438849 0.945205
61 BA3 0.438017 0.945205
62 ATP MG 0.436508 0.906667
63 ADP BMA 0.43609 0.92
64 OAD 0.43609 0.92
65 ATP 0.435484 0.945205
66 OOB 0.435115 0.958904
67 B4P 0.434426 0.945205
68 AP5 0.434426 0.945205
69 GAP 0.433071 0.92
70 0WD 0.432432 0.922078
71 5FA 0.432 0.945205
72 2A5 0.432 0.87013
73 AQP 0.432 0.945205
74 00A 0.428571 0.909091
75 CA0 0.427419 0.92
76 ALF ADP 0.426357 0.871795
77 ADP ALF 0.426357 0.871795
78 ACP 0.424 0.92
79 NAJ PZO 0.423841 0.897436
80 9SN 0.423358 0.897436
81 VO4 ADP 0.423077 0.932432
82 ANP MG 0.423077 0.896104
83 ADP VO4 0.423077 0.932432
84 WAQ 0.422222 0.884615
85 ACQ 0.421875 0.92
86 V3L 0.421875 0.945205
87 ADQ 0.421053 0.92
88 AR6 0.420635 0.918919
89 APR 0.420635 0.918919
90 ATP A A A 0.42029 0.958333
91 CO7 0.419753 0.786517
92 1ZZ 0.419118 0.841463
93 3OD 0.419118 0.92
94 DLL 0.41791 0.958904
95 AD9 0.417323 0.92
96 NAX 0.416667 0.875
97 OVE 0.416667 0.857143
98 MYR AMP 0.416058 0.841463
99 AV2 0.415385 0.868421
100 A3P 0.414634 0.944444
101 NNR 0.414414 0.72973
102 ALF ADP 3PG 0.413793 0.8625
103 OMR 0.413793 0.831325
104 LA8 ALF 3PG 0.413793 0.8625
105 ANP 0.410853 0.92
106 A1R 0.410448 0.860759
107 ABM 0.409836 0.893333
108 AMP 0.408333 0.944444
109 A 0.408333 0.944444
110 SON 0.408 0.933333
111 PPS 0.407692 0.829268
112 5AL 0.407692 0.932432
113 TYR AMP 0.407143 0.933333
114 NAI 0.406897 0.909091
115 7D3 0.406504 0.857143
116 DAL AMP 0.406015 0.932432
117 ADX 0.404762 0.829268
118 ATF 0.40458 0.907895
119 3UK 0.404412 0.945946
120 AMP DBH 0.404255 0.894737
121 139 0.402685 0.875
122 AMP MG 0.401639 0.893333
123 50T 0.401575 0.906667
124 SRP 0.401515 0.907895
125 A A 0.40146 0.972222
126 FA5 0.4 0.933333
127 3AM 0.4 0.90411
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1H5Q; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1h5q.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1H5Q; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1h5q.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1H5Q; Ligand: NAP; Similar sites found: 504
This union binding pocket(no: 3) in the query (biounit: 1h5q.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5T9F TYR 0.0009125 0.42801 None
2 5T9F NAP 0.001111 0.42355 None
3 5E8J SAH 0.009643 0.42118 None
4 2G5C NAD 0.0009792 0.41633 None
5 1LSS NAD 0.0002503 0.41109 None
6 1LLU NAD 0.001405 0.40134 1.13208
7 4OBW SAM 0.005904 0.4204 1.16732
8 1B8U OAA 0.002769 0.4036 1.21581
9 1B8U NAD 0.0003143 0.40054 1.21581
10 3GGO NAI 0.0004076 0.4461 1.50943
11 3GGO ENO 0.0004076 0.4461 1.50943
12 4OPC PGT 0.02243 0.40918 1.50943
13 4OPC FDA 0.02013 0.40841 1.50943
14 1CF2 NAP 0.001166 0.40502 1.50943
15 3LU1 NAD 0.000000002961 0.63054 1.88679
16 1E7S NAP 0.00000009409 0.57062 1.88679
17 1P77 ATR 0.001699 0.47845 1.88679
18 1J0X NAD 0.0003307 0.45184 1.88679
19 4MDH NAD 0.0002515 0.45077 1.88679
20 1ZQ9 SAM 0.00271 0.43577 1.88679
21 5MDH NAD 0.0001824 0.43477 1.88679
22 5U5G NAP 0.0006061 0.42064 1.88679
23 3CTY FAD 0.002942 0.41573 1.88679
24 3ICR FAD 0.001991 0.41506 1.88679
25 3ICS FAD 0.002212 0.41443 1.88679
26 3ICT FAD 0.002358 0.41226 1.88679
27 1GPE FAD 0.004017 0.41133 1.88679
28 5FJN BE2 0.004648 0.40884 1.88679
29 5FJN FAD 0.003946 0.40884 1.88679
30 2C7G FAD 0.00722 0.40845 1.88679
31 2C7G ODP 0.006924 0.40845 1.88679
32 5M67 ADE 0.006539 0.40554 1.88679
33 3AYI FAD 0.007948 0.40453 1.88679
34 3AYI HCI 0.008301 0.40453 1.88679
35 1KOL NAD 0.00357 0.40425 1.88679
36 5M67 3D1 0.007235 0.4038 1.88679
37 5M67 NAD 0.007411 0.40338 1.88679
38 1GR0 NAD 0.003788 0.40096 1.88679
39 1RKX NAD 0.000000005198 0.6153 2.26415
40 2HJR APR 0.00002144 0.51029 2.26415
41 1V6A TRE 0.001406 0.48427 2.26415
42 3G2O SAM 0.0005454 0.46736 2.26415
43 1GV0 NAD 0.00009863 0.45255 2.26415
44 3LST SAH 0.002705 0.44793 2.26415
45 3TLJ SAH 0.0007118 0.44644 2.26415
46 3A27 SAM 0.001783 0.44402 2.26415
47 5JY6 NAD 0.0009865 0.43907 2.26415
48 5LD5 NAD 0.00007739 0.43238 2.26415
49 2GZ3 NAP 0.001422 0.43186 2.26415
50 1Y8Q ATP 0.001956 0.42481 2.26415
51 2Y6Q I7T 0.002428 0.42085 2.26415
52 2Y6Q FAD 0.0009573 0.42085 2.26415
53 5MZI FYK 0.005159 0.41723 2.26415
54 5MZI FAD 0.004959 0.41723 2.26415
55 1BZL FAD 0.01321 0.41593 2.26415
56 3UOY NAP 0.007003 0.41569 2.26415
57 3UOY FAD 0.007003 0.41569 2.26415
58 5BVA FAD 0.002961 0.41562 2.26415
59 1X87 NAD 0.0003159 0.41269 2.26415
60 4J36 FAD 0.001824 0.41168 2.26415
61 4J36 1HR 0.00365 0.41112 2.26415
62 4DPL NAP 0.002041 0.40981 2.26415
63 1SAY PYR 0.002607 0.40709 2.26415
64 4W6Z 8ID 0.0032 0.40606 2.26415
65 1EBF NAD 0.001046 0.40046 2.26415
66 2DT5 NAD 0.001163 0.42185 2.36967
67 1HDO NAP 0.000002507 0.49826 2.42718
68 2V6G NAP 0.000000427 0.54409 2.64151
69 5L4L NAP 0.0000007589 0.50996 2.64151
70 2PK3 A2R 0.0000002424 0.4996 2.64151
71 5L4L 7OX 0.0000211 0.49048 2.64151
72 1UXG NAD 0.00004795 0.47823 2.64151
73 2C5A NAD 0.0000001077 0.45567 2.64151
74 2C5A GDC 0.0000001077 0.45567 2.64151
75 1I0Z NAI 0.0001691 0.45071 2.64151
76 1EZ4 NAD 0.0000594 0.44887 2.64151
77 1WP4 NDP 0.0005309 0.43808 2.64151
78 1T26 NAI 0.0007916 0.436 2.64151
79 3A06 FOM 0.000946 0.42621 2.64151
80 3A06 NDP 0.0008836 0.42482 2.64151
81 3WLE NAD 0.001511 0.41847 2.64151
82 1H82 FAD 0.005158 0.41436 2.64151
83 1H82 GZZ 0.0063 0.41436 2.64151
84 1D4D FAD 0.00465 0.40701 2.64151
85 1YJQ NAP 0.002522 0.40639 2.64151
86 3H8V ATP 0.0001714 0.40639 2.64151
87 5U8U FAD 0.01191 0.40491 2.64151
88 2CVZ NDP 0.001351 0.4031 2.64151
89 3G89 SAM 0.01114 0.41814 2.81124
90 3CGB FAD 0.0005377 0.43678 2.91667
91 2DC1 NAD 0.001331 0.40617 2.9661
92 1A5Z NAD 0.00004711 0.50054 3.01887
93 3V1Y NAD 0.00001989 0.49806 3.01887
94 3L4S 3PG 0.0003509 0.43856 3.01887
95 3L4S NAD 0.0003215 0.43856 3.01887
96 5JJR SAH 0.003602 0.43016 3.01887
97 1LVL NAD 0.003436 0.42412 3.01887
98 4L8V NAP 0.0009997 0.41543 3.01887
99 4YRD 3IT 0.03325 0.41335 3.01887
100 3A25 SAM 0.008817 0.41248 3.01887
101 4AP3 NAP 0.007959 0.40953 3.01887
102 4AP3 FAD 0.007959 0.40953 3.01887
103 4DSG UDP 0.008178 0.40905 3.01887
104 4DSG FAD 0.008178 0.40905 3.01887
105 1H2B NAJ 0.001103 0.40858 3.01887
106 1YY5 FAD 0.004638 0.40797 3.01887
107 4D3F NAP 0.0003618 0.40604 3.01887
108 1V59 FAD 0.005609 0.40563 3.01887
109 1PN0 IPH 0.00662 0.40533 3.01887
110 1PN0 FAD 0.006309 0.40533 3.01887
111 3OND ADN 0.007145 0.40319 3.01887
112 4U60 SIA 0.04555 0.40015 3.01887
113 1J5P NAD 0.001163 0.42477 3.16206
114 1SB8 UD2 0.000000006527 0.64794 3.39623
115 1SB8 NAD 0.00000001097 0.63304 3.39623
116 4ZRN NAD 0.000000002204 0.60319 3.39623
117 3WMX NAD 0.00000004963 0.60159 3.39623
118 2Q1W NAD 0.0000004245 0.53744 3.39623
119 4ZRN UPG 0.00000002146 0.48894 3.39623
120 1DSS NAD 0.00004595 0.44994 3.39623
121 5JE8 NAD 0.0006532 0.44104 3.39623
122 1I8T FAD 0.001503 0.42199 3.39623
123 1G55 SAH 0.005546 0.41826 3.39623
124 2A92 NAI 0.001279 0.41615 3.39623
125 1D1T NAD 0.001291 0.416 3.39623
126 5JCM NAD 0.007027 0.41437 3.39623
127 1NVM NAD 0.001432 0.41296 3.39623
128 2PT9 2MH 0.00207 0.41086 3.39623
129 5I39 FAD 0.002956 0.4096 3.39623
130 3SSO SAH 0.003701 0.40794 3.39623
131 1HKU NAD 0.002119 0.40663 3.39623
132 4A6D SAM 0.01321 0.40144 3.39623
133 3PLN U5P 0.04707 0.4012 3.39623
134 1KNR FAD 0.005728 0.40059 3.39623
135 2CUL FAD 0.0009278 0.42529 3.44828
136 1HDG NAD 0.0000794 0.47809 3.61446
137 4FGC PQ0 0.03657 0.40952 3.63636
138 3GDH SAH 0.003712 0.41333 3.73444
139 2YY7 NAD 0.00000003131 0.58629 3.77358
140 1RPN NDP 0.0000002269 0.52119 3.77358
141 2F1K NAP 0.00004614 0.48353 3.77358
142 3ABI NAD 0.00006525 0.46635 3.77358
143 2CVQ NDP 0.0002054 0.45081 3.77358
144 1LDM NAD 0.0002357 0.44526 3.77358
145 4KOA NDP 0.002748 0.43933 3.77358
146 3BAZ NAP 0.001098 0.4319 3.77358
147 1NYT NAP 0.001158 0.43096 3.77358
148 1JG3 ADN 0.004776 0.42459 3.77358
149 2JHF NAD 0.01517 0.42386 3.77358
150 3OA2 NAD 0.00131 0.41987 3.77358
151 3E1T FAD 0.002241 0.4194 3.77358
152 2FZW NAD 0.002967 0.41463 3.77358
153 4MO2 FDA 0.002059 0.41451 3.77358
154 1U3U NAD 0.003307 0.41183 3.77358
155 1U3U BNF 0.003307 0.41183 3.77358
156 1O0S NAI 0.004803 0.41161 3.77358
157 2CDU FAD 0.002605 0.40946 3.77358
158 5KMS FAD 0.002883 0.40779 3.77358
159 5JWC FAD 0.002798 0.40712 3.77358
160 3QVP FAD 0.005418 0.40441 3.77358
161 5KMS NAD 0.01058 0.40314 3.77358
162 3G5S FAD 0.004304 0.40226 3.77358
163 4RDH AMP 0.002092 0.44896 3.81944
164 2QBU SAH 0.007604 0.41541 3.87931
165 3AB4 THR 0.01768 0.41983 3.93258
166 2DTJ THR 0.02465 0.40839 3.93258
167 4IRP UDP 0.02383 0.41899 3.98406
168 5H81 NAP 0.007552 0.40619 4.11311
169 1N7G NDP 0.000002221 0.56197 4.15094
170 1N7G GDR 0.000002761 0.54627 4.15094
171 5JAQ NAI 0.00000915 0.50724 4.15094
172 3VPH NAD 0.0001464 0.44004 4.15094
173 1HYH NAD 0.0004157 0.43294 4.15094
174 4E13 NAD 0.0001227 0.41915 4.15094
175 4C3Y ANB 0.003957 0.41248 4.15094
176 3VPH OXM 0.0005464 0.412 4.15094
177 1PL6 572 0.00209 0.40817 4.15094
178 4C3Y FAD 0.004027 0.40752 4.15094
179 1GQ2 NAP 0.002758 0.40742 4.15094
180 3ZNN 4WL 0.008942 0.40541 4.15094
181 3ZNN FAD 0.008942 0.40541 4.15094
182 5CAE SIN 0.003555 0.40079 4.15094
183 2VDV SAM 0.002538 0.44927 4.47154
184 4PVD NDP 0.000000008106 0.58539 4.5283
185 9LDB NAD 0.00003805 0.47157 4.5283
186 9LDT NAD 0.00003893 0.4712 4.5283
187 1UWK NAD 0.0002606 0.45803 4.5283
188 1LDN NAD 0.00009953 0.45604 4.5283
189 3B1F NAD 0.00002732 0.44347 4.5283
190 4X9M FAD 0.002448 0.41488 4.5283
191 2VHW NAI 0.00197 0.41409 4.5283
192 2HK9 NAP 0.000624 0.41394 4.5283
193 1U8X NAD 0.005272 0.40163 4.5283
194 1REO FAD 0.00514 0.4014 4.5283
195 2X1L ADN 0.02483 0.40118 4.5283
196 5J60 FAD 0.002803 0.4126 4.6875
197 5IN4 NAP 0.00001699 0.5644 4.90566
198 5IN4 6CK 0.00001664 0.5644 4.90566
199 5IN4 GDP 0.00001863 0.56135 4.90566
200 2P41 SAH 0.002239 0.43953 4.90566
201 2VYN NAD 0.0001897 0.43897 4.90566
202 1GAD NAD 0.0001745 0.43614 4.90566
203 2I3G NAP 0.0007138 0.42421 4.90566
204 1SQF SAM 0.007337 0.41611 4.90566
205 5BR7 FAD 0.006098 0.41494 4.90566
206 5BR7 FLC 0.006214 0.41461 4.90566
207 1F8G NAD 0.008598 0.40378 4.90566
208 2PZM UDP 0.000001946 0.53888 5.28302
209 2PZM NAD 0.000001946 0.53888 5.28302
210 1Y1P NMN AMP PO4 0.0000001271 0.52814 5.28302
211 3H9E NAD 0.00007737 0.4746 5.28302
212 1OC2 TDX 0.00000009742 0.45033 5.28302
213 1OC2 NAD 0.00000009742 0.45033 5.28302
214 3WQQ IB3 0.0007179 0.43657 5.28302
215 5UAV TFB 0.0005141 0.43628 5.28302
216 5UAV NDP 0.0005141 0.43628 5.28302
217 4KP7 NAP 0.001834 0.42657 5.28302
218 4KP7 1UQ 0.001757 0.42352 5.28302
219 4RPL FAD 0.00439 0.42213 5.28302
220 4RPL 3UC 0.005955 0.4186 5.28302
221 5HSA FAS 0.002704 0.41423 5.28302
222 1QO8 FAD 0.004958 0.40497 5.28302
223 5MBX SP5 0.009714 0.40252 5.28302
224 5MBX FAD 0.009714 0.40252 5.28302
225 5HW4 SAM 0.009548 0.40471 5.64516
226 2C29 NAP 0.0000004497 0.56371 5.66038
227 2C29 DQH 0.000001201 0.54706 5.66038
228 1LTH NAD 0.00002331 0.45366 5.66038
229 1SOW NAD 0.0002286 0.4441 5.66038
230 1O6Z NAD 0.00009765 0.43177 5.66038
231 4XB2 HSE 0.0008246 0.42328 5.66038
232 4XB2 NDP 0.0001883 0.4216 5.66038
233 4AT0 FAD 0.003293 0.41652 5.66038
234 4CJX NAP 0.0006018 0.40933 5.66038
235 2IXB NAD 0.002744 0.40244 5.66038
236 4R5M NAP 0.001048 0.4236 6.03774
237 2VVM FAD 0.002828 0.41245 6.03774
238 4R5M 4NO 0.001575 0.41142 6.03774
239 1XDS SAM 0.02149 0.40424 6.03774
240 2NU8 COA 0.001221 0.40352 6.03774
241 1RSG FAD 0.005545 0.40308 6.03774
242 4NEC SAH 0.01544 0.40778 6.06061
243 4ZCC NAI 0.008111 0.40341 6.25
244 4ZCC FAD 0.008111 0.40341 6.25
245 1V35 NAI 0.0000009719 0.54775 6.41509
246 1GUZ NAD 0.0001365 0.4438 6.41509
247 4RSL FAD 0.0008537 0.4279 6.41509
248 4MOP 2H5 0.00217 0.42713 6.41509
249 4RQU NAD 0.001015 0.41228 6.41509
250 4EIP FAD 0.004719 0.40946 6.41509
251 4EIP K2C 0.004719 0.40946 6.41509
252 3NTD FAD 0.004298 0.40336 6.41509
253 2X6T NAP 0.0000002004 0.55155 6.44258
254 3KO8 NAD 0.000000002189 0.63165 6.73077
255 5F5N NAD 0.000003934 0.49257 6.79245
256 2PV7 NAD 0.00009703 0.46694 6.79245
257 3T31 FAD 0.001172 0.43952 6.79245
258 3T31 DCQ 0.001309 0.43919 6.79245
259 4E5N NAD 0.002766 0.40231 6.79245
260 3KO0 TFP 0.03008 0.41273 6.93069
261 4U7W NDP 0.000000007906 0.59308 7.16981
262 1WDK NAD 0.0001893 0.42178 7.16981
263 2V3B FAD 0.001469 0.4201 7.16981
264 2V3A FAD 0.001922 0.41677 7.16981
265 2DKH FAD 0.001524 0.41462 7.16981
266 2DKH 3HB 0.003615 0.4073 7.16981
267 2GAG FAD 0.005378 0.40634 7.16981
268 2GAG FOA 0.006203 0.4039 7.16981
269 1EQ2 NAP 0.0000006663 0.5331 7.41935
270 4J7U YTZ 0.00000001413 0.62068 7.54717
271 4J7U NAP 0.00000001413 0.62068 7.54717
272 1Z6Z NAP 0.000000006472 0.6066 7.54717
273 4GKV NAD 0.0002033 0.44889 7.54717
274 1JNR FAD 0.005976 0.42212 7.54717
275 3NJ4 AFX 0.01504 0.41986 7.54717
276 3NJ4 NAD 0.01571 0.41901 7.54717
277 1YKJ PHB 0.006286 0.41507 7.54717
278 1YKJ FAD 0.006286 0.41507 7.54717
279 2EV9 SKM 0.001776 0.41082 7.60456
280 2EV9 NAP 0.001776 0.41082 7.60456
281 1BXK NAD 0.000000002308 0.61675 7.92453
282 1MUU NAD 0.0005038 0.4456 7.92453
283 1U1I NAD 0.0006374 0.43017 7.92453
284 4MIG G3F 0.002025 0.42577 7.92453
285 1MV8 NAD 0.0002977 0.42574 7.92453
286 1RM4 NDP 0.0004564 0.42245 7.92453
287 2E5V FAD 0.003266 0.41301 7.92453
288 4QTU SAM 0.006098 0.41643 8.14815
289 2QZZ EMF 0.001758 0.41826 8.1761
290 2QZZ NAP 0.001642 0.41826 8.1761
291 2BKA NDP 0.000003557 0.50146 8.26446
292 2Q1S NAI 0.0000008411 0.5531 8.30189
293 3CIF NAD 0.00003043 0.46826 8.30189
294 3CIF G3H 0.000259 0.44628 8.30189
295 1BW9 NAD 0.001086 0.44226 8.30189
296 1C1X NAD 0.0008725 0.43274 8.30189
297 3L9W AMP 0.001655 0.41062 8.30189
298 2HMT NAI 0.0003052 0.41153 8.33333
299 1CER NAD 0.00002735 0.49256 8.67924
300 2EXX NAP 0.0001782 0.45104 8.67924
301 1E5Q NDP 0.0002571 0.44706 8.67924
302 1TE2 PGA 0.01982 0.42488 8.67924
303 4MP8 NAD 0.001524 0.4195 8.67924
304 1VKO NAD 0.0009436 0.41563 8.67924
305 4ZGS NAD 0.0004708 0.41082 8.67924
306 2EG5 SAH 0.02717 0.40264 8.67924
307 2RAB NAD 0.0157 0.40055 8.67924
308 2RAB FAD 0.007166 0.40055 8.67924
309 2JL1 NAP 0.0003263 0.40958 8.7108
310 5MSO NAP 0.00000004218 0.56099 9.0566
311 3CMC NAD 0.000706 0.45616 9.0566
312 3GFB NAD 0.0008558 0.42997 9.0566
313 3AD8 PYC 0.01051 0.40777 9.0566
314 3AD8 FAD 0.01051 0.40777 9.0566
315 2D2I NAP 0.0003961 0.41545 9.21053
316 4R1S NAP 0.000000001842 0.65849 9.43396
317 1Z45 NAD 0.000000002927 0.63074 9.43396
318 2DFV NAD 0.0008473 0.41217 9.43396
319 4K28 NAD 0.0003756 0.45077 9.81132
320 3WGT FAD 0.003759 0.41424 9.81132
321 3WGT QSC 0.007157 0.40398 9.81132
322 4CNK FAD 0.005224 0.4001 9.81132
323 5L95 AMP 0.0003738 0.40164 10
324 4J4H 1J1 0.007503 0.4015 10.0386
325 4J4H NAI 0.007503 0.4015 10.0386
326 4YSX FAD 0.0009432 0.43089 10.1887
327 1O94 ADP 0.003579 0.41399 10.2273
328 3B1J NAD 0.0003498 0.43878 10.3245
329 3B20 NAD 0.0002479 0.42204 10.3245
330 4GUT FAD 0.007439 0.40165 10.4839
331 5JCA FAD 0.003756 0.40967 10.566
332 5JCA NDP 0.008633 0.40876 10.566
333 5KKA 6V0 0.0001054 0.45667 10.9434
334 4PLG NAI 0.0003575 0.44355 10.9434
335 2HYV UAP SGN IDS SGN IDS 0.04369 0.40292 10.9434
336 3QV1 NAD 0.00007766 0.44194 10.9756
337 4GLL NAD 0.00000001786 0.59758 11.3208
338 3CGD COA 0.002632 0.43878 11.3208
339 3CGD FAD 0.002632 0.43878 11.3208
340 3CGD NAD 0.002632 0.43878 11.3208
341 4XQC NAD 0.00083 0.43624 11.3208
342 4XQC 13D 0.0009471 0.43502 11.3208
343 2Q0L NAP 0.01591 0.40717 11.3208
344 2AQJ FAD 0.01251 0.40084 11.3208
345 2AQJ TRP 0.01204 0.40084 11.3208
346 1WVG APR 0.0000002005 0.53006 11.6981
347 1K3T BRZ 0.003037 0.40336 11.6981
348 1R6D NAD 0.00000004158 0.61712 12.0755
349 1I2B NAD 0.000000133 0.59814 12.0755
350 1R6D DAU 0.0000001403 0.59467 12.0755
351 1I2B UPG 0.0008094 0.47752 12.0755
352 1I2B USQ 0.0008094 0.47752 12.0755
353 3JV7 NAD 0.001476 0.41513 12.0755
354 1ZMD NAI 0.004042 0.40897 12.0755
355 1N4W FAD 0.005235 0.40499 12.0755
356 2F5Z FAD 0.006947 0.40018 12.0755
357 4OHU NAD 0.00000004068 0.62011 12.8302
358 4OHU 2TK 0.00000004068 0.62011 12.8302
359 4YCA NDP 0.001266 0.42631 12.8302
360 4OOE NDP 0.002434 0.415 12.8302
361 5UAO FAD 0.002881 0.41002 12.8302
362 3OJO NAD 0.000786 0.40197 13.2075
363 4Y8D 49J 0.02738 0.41394 13.5714
364 1EK6 NAI 0.00000002129 0.62878 13.5849
365 1EK6 UPG 0.0000001125 0.6023 13.5849
366 3RGG AIR 0.02543 0.4077 13.8365
367 4TXI FAD 0.0008498 0.42279 13.9623
368 2BRY FAD 0.0009625 0.42211 13.9623
369 3I6I NDP 0.0001783 0.41707 13.9623
370 4TQG NDP 0.000000009437 0.59548 14.3396
371 1E1M FAD 0.003229 0.42102 14.3396
372 1E6E FAD 0.001356 0.42026 14.3396
373 3ORF NAD 0.0000008746 0.52308 14.3426
374 1PZG A3D 0.0005339 0.40615 14.717
375 3O26 NDP 0.00000000001634 0.70143 15.4717
376 4PIV NDP 0.00000003427 0.58484 15.4717
377 4EUE NAI 0.0000009798 0.53259 15.4717
378 1ORR NAD 0.000000006821 0.61544 15.8501
379 2Q46 NAP 0.0000001115 0.55643 16.6008
380 3RFV NAI 0.00000008676 0.55606 16.6038
381 3RFV 15L 0.000003554 0.49275 16.6038
382 2B4R NAD 0.00006835 0.46211 16.6038
383 2B4R AES 0.0001811 0.44303 16.6038
384 3TWO NDP 0.003615 0.4029 16.6038
385 1PNO NAP 0.002207 0.40597 16.6667
386 2FR1 NDP 0.0000000002005 0.65775 16.9811
387 2R4J 13P 0.006269 0.40867 16.9811
388 2Z3Y F2N 0.005166 0.40521 16.9811
389 4HXY NDP 0.00000000003617 0.69554 17.3585
390 5DN9 NAD 0.002058 0.40972 17.7358
391 1VL0 NAI 0.000000002139 0.59769 18.8679
392 4J1Q NDP 0.000000002271 0.61088 19.2453
393 5L4S 6KX 0.0000000001825 0.68379 20.3774
394 5L4S NAP 0.0000000001825 0.68379 20.3774
395 3H4V DVP 0.0000000007303 0.67072 20.3774
396 3H4V NAP 0.000000002062 0.65136 20.3774
397 3A4V PYR 0.00000001283 0.5628 20.7547
398 3A4V NAD 0.00000001283 0.5628 20.7547
399 4M38 SAH 0.001619 0.43838 23.8095
400 3CH6 311 0.000000002567 0.67519 24.1509
401 3CH6 NAP 0.000000002567 0.67519 24.1509
402 4K26 NDP 0.0000000003958 0.65689 24.1509
403 4K26 SFF 0.000000002035 0.56701 24.1509
404 1N5D NDP 0.000000000102 0.67879 25.283
405 1WMA AB3 0.0000000005406 0.67766 25.6604
406 1WMA NDP 0.0000000005406 0.67766 25.6604
407 1XSE NDP 0.00000000005178 0.71128 26.7925
408 1UDB NAD 0.00000001354 0.48507 26.7925
409 1NNU NAD 0.01622 0.43282 28.3333
410 1NNU TCT 0.01622 0.43282 28.3333
411 5GT9 NAP 0.000000001198 0.63901 29.6578
412 1GY8 NAD 0.00000002046 0.59317 30.1887
413 1KEW NAD 0.0000001058 0.59825 30.9434
414 1KEW TYD 0.0000001065 0.5968 30.9434
415 4YAG NAI 0.00000000000987 0.74342 32.0755
416 3MJE NDP 0.0000000002907 0.65559 32.8302
417 1GZ6 NAI 0.0000000005763 0.65082 32.8302
418 3RJ5 NAD 0.00000000003883 0.62612 33.0709
419 1A27 NAP 0.0000000006246 0.64345 33.2075
420 3HB5 NAP 0.000000000005515 0.57854 33.2075
421 4O1M NAD 0.0000005755 0.53549 33.9623
422 3RKR NAP 0.0000006726 0.44107 33.9695
423 3V1U NAD 0.000000000001058 0.7089 34.3396
424 1OAA OAA 0.000000001914 0.65624 34.749
425 3WXB NDP 0.000000000008101 0.7197 36.6038
426 1ZBQ NAD 0.0000000002765 0.66523 36.9811
427 4OSP NAP 0.000000000002867 0.72041 37.3585
428 1W73 NAP 0.000000000002097 0.79445 37.7358
429 3ZV6 4HB 0.00000000002731 0.72623 37.7358
430 3ZV6 NAD 0.00000000002413 0.72623 37.7358
431 1W8D NAP 0.00000000000127 0.69601 37.7358
432 2JAH NDP 0.000000000006225 0.72396 38.0567
433 1E3W NAD 0.0000000000001698 0.7909 38.1132
434 1SNY NAP 0.0000000004098 0.63059 38.1132
435 2PD4 DCN 0.0000006227 0.54547 38.1132
436 2PD4 NAD 0.0000007746 0.54188 38.1132
437 2JAP NDP 0.000000000004722 0.72842 38.4615
438 2BD0 NAP 0.000000000001477 0.73477 38.5246
439 3OIG NAD 0.00000007619 0.55832 38.8679
440 1W6U NAP 0.000000000002399 0.6865 39.2453
441 5L53 NAP 0.000000000385 0.60049 39.2453
442 3OJF NDP 0.00000003638 0.59217 39.2453
443 3OJF IMJ 0.00000007897 0.59 39.2453
444 1MXH DHF 0.0000000008778 0.65982 39.6226
445 1MXH NAP 0.000000001007 0.65753 39.6226
446 3GEG NAD 0.00000000001831 0.68468 39.6761
447 4FC7 NAP 0.00000000001107 0.74148 40
448 4FC7 COA 0.00000000001107 0.74148 40
449 3TN7 NJP 0.000000000003867 0.73165 40.0778
450 1G0N PHH 0.0000000000002656 0.80213 40.7547
451 1G0N NDP 0.0000000000001806 0.80112 40.7547
452 1BDB NAD 0.0000000001485 0.65248 41.1321
453 4D42 NAP 0.00000001365 0.63226 41.5094
454 4D42 W0I 0.00000001365 0.63226 41.5094
455 2WYV NAD 0.000003991 0.50495 41.5094
456 3NUG NAD 0.0000000000003103 0.7724 42.1053
457 4Q9N NAI 0.0000002247 0.55446 42.2642
458 1FK8 NAD 0.0000000001509 0.70967 43.0189
459 3U4C NDP 0.000000003088 0.61201 43.0189
460 1QG6 TCL 0.0000001052 0.58832 43.0189
461 1QG6 NAD 0.0000001052 0.58832 43.0189
462 5CG1 NAD BBN 0.0000004841 0.58232 43.0189
463 1X1T NAD 0.000000000006862 0.69885 43.3962
464 2DKN NAI 0.000000000006723 0.73853 43.5294
465 1XG5 NAP 0.0000000001239 0.67564 43.7736
466 2Q2V NAD 0.000000000002541 0.74416 43.9216
467 3SJU NDP 0.000000000001566 0.74625 44.5283
468 3OID NDP 0.000000000002736 0.74296 44.5283
469 2VZ0 D64 0.000000005073 0.67791 44.5283
470 2VZ0 NAP 0.000000005073 0.67791 44.5283
471 2WD7 NAP 0.0000000002199 0.65342 44.5283
472 1D7O NAD 0.0000007719 0.49795 44.9057
473 4ITU NAI 0.0000000000008136 0.73121 45.3532
474 4ITU 1HS 0.000000000003147 0.62431 45.3532
475 1NFQ NAI 0.0000000000001492 0.78735 45.3846
476 3AFN NAP 0.00000000002801 0.70503 45.7364
477 5THQ NDP 0.0000000000003643 0.76162 46.0377
478 1ZEM NAD 0.00000000000712 0.69004 47.1698
479 2EWM NAD 0.0000000000005093 0.76439 47.3896
480 5JCJ NAP 0.0000000001536 0.6863 47.5472
481 3BMO NAP 0.0000000001547 0.68618 47.5472
482 3BMQ NAP 0.000000000103 0.68569 47.5472
483 4CM4 NAP 0.0000000001717 0.68444 47.5472
484 3JQF NAP 0.0000000001133 0.68412 47.5472
485 4CMI NAP 0.0000000002107 0.68103 47.5472
486 3JQ7 NAP 0.0000000003299 0.68074 47.5472
487 3JQA NAP 0.0000000003995 0.67749 47.5472
488 5K6A NAP 0.00000000008552 0.675 47.5472
489 3JQG NAP 0.0000000004805 0.67436 47.5472
490 3JQB NAP 0.0000000005215 0.67296 47.5472
491 3JQ8 NAP 0.0000000001217 0.66947 47.5472
492 4CM9 NAP 0.0000000001256 0.6689 47.5472
493 3BMN NAP 0.0000000001812 0.66309 47.5472
494 5JDC NAP 0.0000000001304 0.66144 47.5472
495 4CME NAP 0.0000000001506 0.65947 47.5472
496 4CM8 NAP 0.0000000001684 0.65751 47.5472
497 5JDI NAP 0.0000000001652 0.65737 47.5472
498 4CLR NAP 0.0000000001779 0.65671 47.5472
499 3JQ9 NAP 0.0000000002836 0.65617 47.5472
500 4CLO NAP 0.0000000001186 0.65546 47.5472
501 4ZA2 NAD 0.000000000002065 0.72653 47.9245
502 5T2U NAP 0.000000000002671 0.74335 47.9839
503 3D3W NAP 0.00000000005291 0.69466 48.3607
504 4O0L NDP 0.0000000000007453 0.75824 49.4545
505 4NBU NAI 0.00000000000005551 0.80019 50
506 2AE2 PTO 0.000000000001953 0.76625 50
507 2AE2 NAP 0.000000000001953 0.76625 50
Pocket No.: 4; Query (leader) PDB : 1H5Q; Ligand: NAP; 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: 1h5q.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1H5Q; Ligand: NAP; Similar sites found: 41
This union binding pocket(no: 5) in the query (biounit: 1h5q.bio3) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3P13 RIP 0.0363 0.41166 None
2 5T9E NAP 0.002008 0.40179 None
3 1F3L SAH 0.007523 0.405 1.88679
4 2OBF F83 0.005214 0.40644 2.26415
5 2OBF SAH 0.005214 0.40644 2.26415
6 2NAD NAD 0.004271 0.40253 2.26415
7 3UCL NAP 0.01924 0.40001 2.26415
8 4YNU FAD 0.008251 0.40034 2.64151
9 1RYO OXL 0.02006 0.40519 3.01887
10 4U60 SIA GAL NGA 0.04118 0.40199 3.01887
11 2RGJ FAD 0.003931 0.40154 3.01887
12 4D04 FAD 0.01509 0.40147 3.01887
13 4D04 NAP 0.01509 0.40147 3.01887
14 1V8B NAD 0.003782 0.40571 3.39623
15 1I7E IBS 0.04278 0.40104 3.77358
16 2WET FAD 0.003733 0.41121 4.15094
17 1PL6 NAD 0.0004933 0.4031 4.15094
18 1XHC FAD 0.004572 0.40251 4.15094
19 4YRY FAD 0.007231 0.40081 4.5283
20 5TTJ FAD 0.006196 0.40055 4.5283
21 2O4C NAD 0.002609 0.40576 4.90566
22 1DXY NAD 0.001454 0.40458 4.90566
23 3MB5 SAM 0.0007345 0.40473 5.09804
24 3C1O NAP 0.001185 0.40228 5.28302
25 3S5W FAD 0.003608 0.40043 5.66038
26 1R37 NAD 0.00382 0.40322 6.05187
27 3DMH SAM 0.01063 0.40143 6.79245
28 3IHG FAD 0.001663 0.40896 7.16981
29 2GSD NAD 0.003812 0.40443 7.54717
30 1BXG NAD 0.001314 0.40549 7.92453
31 5MW4 5JU 0.004473 0.40059 7.92453
32 4FWE FAD 0.007676 0.4007 8.67924
33 5BUK FAD 0.005543 0.40724 9.0566
34 1GET NAP 0.01828 0.40095 9.0566
35 1P31 EPU 0.01458 0.4013 9.43396
36 2DBZ NAP 0.001887 0.40696 9.81132
37 4JK3 NAD 0.001979 0.40072 10.0386
38 4OKE AMP 0.01702 0.40457 10.7143
39 2XVE FAD 0.01467 0.40071 11.6981
40 3RNM FAD 0.007189 0.40183 12.0755
41 3AI3 SOL 0.0393 0.40433 43.346
Pocket No.: 6; Query (leader) PDB : 1H5Q; Ligand: NAP; 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: 1h5q.bio3) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 1H5Q; Ligand: NAP; 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: 1h5q.bio3) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 1H5Q; Ligand: NAP; 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: 1h5q.bio3) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 1H5Q; Ligand: NAP; Similar sites found: 46
This union binding pocket(no: 9) in the query (biounit: 1h5q.bio2) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1COY AND 0.003483 0.42694 2.26415
2 1COY FAD 0.001977 0.42476 2.26415
3 3NTA FAD 0.002924 0.41482 2.26415
4 3NT6 FAD 0.006128 0.40207 2.26415
5 3KLJ FAD 0.004791 0.40068 2.26415
6 4YNU LGC 0.007565 0.40754 2.64151
7 2QRK AMP 0.006513 0.40102 2.64151
8 5G3U FDA 0.006649 0.40066 2.64151
9 2HQM FAD 0.008351 0.4006 2.64151
10 3OND NAD 0.005532 0.41228 3.01887
11 1J49 NAD 0.003164 0.40241 3.01887
12 4Z24 FAD 0.007626 0.40219 3.01887
13 5EOW FAD 0.004747 0.40202 3.01887
14 5JCM ISD 0.01776 0.40178 3.39623
15 5JCM FAD 0.01719 0.40178 3.39623
16 3HAD NAD 0.002039 0.43087 3.77358
17 4MO2 FAD 0.003093 0.41385 3.77358
18 2JB2 FAD 0.003544 0.41256 3.77358
19 2JB2 PHE 0.003761 0.41256 3.77358
20 5CAE COA 0.001311 0.40421 4.15094
21 1Q9I FAD 0.01486 0.40059 4.15094
22 1Q9I TEO 0.01486 0.40059 4.15094
23 1UWK URO 0.0002087 0.46828 4.5283
24 2IID PHE 0.008167 0.41004 4.5283
25 2IID FAD 0.008167 0.41004 4.5283
26 5EB4 FAD 0.007651 0.4012 4.5283
27 1YQZ FAD 0.003697 0.42732 4.90566
28 3AB1 FAD 0.004037 0.41134 4.90566
29 2WPF FAD 0.03233 0.40191 4.90566
30 2WPF WPF 0.03303 0.40191 4.90566
31 3WQQ NDP 0.001036 0.43599 5.28302
32 5TUK FAD 0.003056 0.40437 5.66038
33 4BWL MN9 0.04744 0.40035 6.79245
34 3L9W GSH 0.00344 0.40103 8.30189
35 1GET FAD 0.01884 0.40128 9.0566
36 4XUC SAM 0.005093 0.40083 9.17431
37 4XUC 43G 0.005093 0.40083 9.17431
38 2Q7V FAD 0.003528 0.41468 9.43396
39 3NKS FAD 0.003138 0.41251 9.81132
40 4HSU FAD 0.005941 0.4084 10.4839
41 1ZMD FAD 0.00849 0.40122 12.0755
42 1E1M NAP 0.002671 0.42941 14.3396
43 4D79 ATP 0.0003751 0.40352 14.717
44 4JDR FAD 0.00287 0.41827 15.0943
45 2RGO FAD 0.004857 0.40501 15.8491
46 2R4J FAD 0.007184 0.41084 16.9811
Pocket No.: 10; Query (leader) PDB : 1H5Q; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 1h5q.bio2) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 1H5Q; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 1h5q.bio2) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 1H5Q; Ligand: NAP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 1h5q.bio2) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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