Receptor
PDB id Resolution Class Description Source Keywords
3AUU 2 Å EC: 1.1.1.47 CRYSTAL STRUCTURE OF BACILLUS MEGATERIUM GLUCOSE DEHYDROGENA COMPLEX WITH D-GLUCOSE BACILLUS MEGATERIUM ROSSMANN FOLD OXIDOREDUCTASE NAD OXIDATION-REDUCTION PROCCYTOSOL
Ref.: STRUCTURE-GUIDED MUTAGENESIS FOR THE IMPROVEMENT OF SUBSTRATE SPECIfiCITY OF BACILLUS MEGATERIUM 1-DEHYDROGENASE IV FEBS J. V. 279 3264 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC A:262;
B:262;
Valid;
Valid;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3AY6 2.1 Å EC: 1.1.1.47 CRYSTAL STRUCTURE OF BACILLUS MEGATERIUM GLUCOSE DEHYDROGENA MUTANT IN COMPLEX WITH NADH AND D-GLUCOSE BACILLUS MEGATERIUM ROSSMANN FOLD OXIDATION-REDUCTION PROCESS NUCLEOTIDE BINDICYTOSOL OXIDOREDUCTASE
Ref.: STRUCTURE-GUIDED MUTAGENESIS FOR THE IMPROVEMENT OF SUBSTRATE SPECIfiCITY OF BACILLUS MEGATERIUM 1-DEHYDROGENASE IV FEBS J. V. 279 3264 2012
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3AY6 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
2 3AUU - BGC C6 H12 O6 C([C@@H]1[....
3 3AUT - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3AY6 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
2 3AUU - BGC C6 H12 O6 C([C@@H]1[....
3 3AUT - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
4 1RWB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1GCO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 1G6K - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 1GEE - NAD C21 H27 N7 O14 P2 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: BGC; Similar ligands found: 141
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL 1 1
2 BMA 1 1
3 GXL 1 1
4 GLA 1 1
5 ALL 1 1
6 GLC 1 1
7 BGC 1 1
8 GIV 1 1
9 MAN 1 1
10 WOO 1 1
11 32O 0.653846 0.866667
12 RIB 0.653846 0.866667
13 FUB 0.653846 0.866667
14 Z6J 0.653846 0.866667
15 AHR 0.653846 0.866667
16 BMA BMA MAN 0.545455 0.823529
17 GLA BGC 0.511628 0.848485
18 LAK 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 GLA GLC 0.511628 0.848485
23 GAL GAL 0.511628 0.848485
24 MLB 0.511628 0.848485
25 BMA GLA 0.511628 0.848485
26 BMA BMA BMA BMA BMA BMA MAN 0.5 0.823529
27 YDR 0.5 0.8
28 MAN BMA BMA BMA BMA BMA 0.5 0.823529
29 GLC GLC GLC GLC BGC 0.488889 0.848485
30 GLC GLC GLC 0.488889 0.848485
31 MAN MAN MAN 0.488889 0.848485
32 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
33 BGP 0.461538 0.675
34 G6P 0.461538 0.675
35 M6P 0.461538 0.675
36 A6P 0.461538 0.675
37 M6D 0.461538 0.675
38 BG6 0.461538 0.675
39 SHG 0.457143 0.875
40 GAF 0.457143 0.875
41 G2F 0.457143 0.875
42 X6X 0.457143 0.777778
43 2FG 0.457143 0.875
44 G3F 0.457143 0.875
45 PA1 0.457143 0.777778
46 1GN 0.457143 0.777778
47 GCS 0.457143 0.777778
48 2H5 0.457143 0.875
49 LB2 0.454545 0.848485
50 BGC BMA 0.454545 0.848485
51 BGC GAL 0.454545 0.848485
52 MAL 0.454545 0.848485
53 GLC GAL 0.454545 0.848485
54 M3M 0.454545 0.848485
55 GLA GAL 0.454545 0.848485
56 MAB 0.454545 0.848485
57 GLC BGC 0.454545 0.848485
58 BMA BMA 0.454545 0.848485
59 LBT 0.454545 0.848485
60 MAL MAL 0.454545 0.823529
61 CBK 0.454545 0.848485
62 GLA GLA 0.454545 0.848485
63 MAN GLC 0.454545 0.848485
64 CBI 0.454545 0.848485
65 N9S 0.454545 0.848485
66 GAL GLC 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 B2G 0.454545 0.848485
69 BGC GLC 0.454545 0.848485
70 LAT 0.454545 0.848485
71 GAL BGC 0.454545 0.848485
72 3MG 0.444444 0.875
73 TCB 0.444444 0.8
74 GLC SGC 0.444444 0.8
75 YIO 0.441176 0.870968
76 2GS 0.432432 0.875
77 BGC BGC 0.431818 0.848485
78 2M4 0.431818 0.848485
79 MAN MAN 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 CT3 0.416667 0.848485
84 GLC BGC GLC 0.416667 0.848485
85 MLR 0.416667 0.848485
86 GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
87 GLC GLC GLC GLC GLC 0.416667 0.848485
88 GAL FUC 0.416667 0.848485
89 BMA BMA BMA 0.416667 0.848485
90 CTR 0.416667 0.848485
91 BGC GLC GLC 0.416667 0.848485
92 BGC GLC GLC GLC GLC 0.416667 0.848485
93 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
94 GLC GAL GAL 0.416667 0.848485
95 B4G 0.416667 0.848485
96 CEX 0.416667 0.848485
97 MAN BMA BMA BMA BMA 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
100 CTT 0.416667 0.848485
101 GLC GLC BGC 0.416667 0.848485
102 DXI 0.416667 0.848485
103 GLC GLC BGC GLC GLC GLC GLC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
107 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
108 MTT 0.416667 0.848485
109 BMA MAN BMA 0.416667 0.848485
110 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
111 CE5 0.416667 0.848485
112 GAL GAL GAL 0.416667 0.848485
113 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
114 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
115 GLA GAL GLC 0.416667 0.848485
116 CE6 0.416667 0.848485
117 GLC BGC BGC BGC BGC 0.416667 0.848485
118 GLC BGC BGC 0.416667 0.848485
119 MAN BMA BMA 0.416667 0.848485
120 MT7 0.416667 0.848485
121 GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
122 CE8 0.416667 0.848485
123 CEY 0.416667 0.848485
124 BGC BGC BGC 0.408163 0.848485
125 BGC BGC BGC BGC BGC 0.408163 0.848485
126 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
127 SGC SGC BGC 0.408163 0.8
128 GLC BGC BGC BGC 0.408163 0.848485
129 BGC BGC BGC ASO BGC BGC ASO 0.408163 0.848485
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 TRE 0.405405 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 BM3 0.404762 0.7
135 NDG 0.404762 0.7
136 NAG 0.404762 0.7
137 HSQ 0.404762 0.7
138 A2G 0.404762 0.7
139 NGA 0.404762 0.7
140 FUB AHR AHR 0.4 0.764706
141 AHR AHR AHR 0.4 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3AY6; Ligand: NAI; Similar sites found: 268
This union binding pocket(no: 1) in the query (biounit: 3ay6.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3T2W BTN 0.03936 0.40409 None
2 2BKA NDP 0.00000568 0.46201 1.23967
3 2YY7 NAD 0.000000489 0.50644 1.60256
4 1MFD GLA MMA ABE 0.02445 0.40785 1.86047
5 1I2B NAD 0.000002326 0.52446 2.23048
6 2V6G NAP 0.000001882 0.48659 2.23048
7 5LKC FUC GLA A2G 0.006572 0.44935 2.23048
8 1I2B USQ 0.004103 0.43342 2.23048
9 1I2B UPG 0.004103 0.43342 2.23048
10 1UXG NAD 0.0004054 0.42644 2.23048
11 5UAV TFB 0.001257 0.40347 2.23048
12 4OOE NDP 0.008549 0.40005 2.23048
13 1SB8 UD2 0.0000000692 0.57816 2.27273
14 1SB8 NAD 0.00000009064 0.5684 2.27273
15 1I0Z NAI 0.0007926 0.43317 2.60223
16 3F10 8HG 0.01365 0.4136 2.60223
17 3OA2 NAD 0.003911 0.40873 2.60223
18 1SOW NAD 0.0006219 0.40534 2.60223
19 1O0S NAI 0.01288 0.40019 2.60223
20 1B74 DGN 0.02863 0.41928 2.75591
21 1VL0 NAI 0.00000002554 0.52074 2.97398
22 4GLL NAD 0.0000002086 0.52045 2.97398
23 1V6A TRE 0.01356 0.4398 2.97398
24 3V1Y NAD 0.0009907 0.43827 2.97398
25 1BW9 NAD 0.002233 0.43625 2.97398
26 1LDM NAD 0.0009736 0.4297 2.97398
27 9LDT NAD 0.0002596 0.41472 2.97398
28 9LDB NAD 0.000262 0.41414 2.97398
29 1C1X NAD 0.00424 0.41251 2.97398
30 1VKO NAD 0.003123 0.40521 2.97398
31 1MUU NAD 0.001802 0.43066 2.98165
32 2DT5 NAD 0.002402 0.41709 3.31754
33 4U7W NDP 0.00000005234 0.52387 3.34572
34 1GY8 NAD 0.0000004325 0.50705 3.34572
35 2C5A GDC 0.0000006172 0.4582 3.34572
36 2C5A NAD 0.0000006172 0.4582 3.34572
37 4MDH NAD 0.001864 0.42421 3.34572
38 3G2O SAM 0.012 0.41303 3.34572
39 3GC8 B45 0.009667 0.40834 3.34572
40 3EGI ADP 0.02266 0.42475 3.39806
41 3C8F MT2 0.01876 0.41336 3.67347
42 3A4V PYR 0.00000008303 0.55018 3.71747
43 3A4V NAD 0.00000008303 0.55018 3.71747
44 1EQ2 NAP 0.000001773 0.48163 3.71747
45 2F1K NAP 0.0005902 0.44745 3.71747
46 2VDV SAM 0.01133 0.42446 3.71747
47 5H81 NAP 0.008323 0.4112 3.71747
48 1PZG A3D 0.001503 0.40536 3.71747
49 1GV0 NAD 0.0004346 0.40384 3.71747
50 2I3G NAP 0.004029 0.40336 3.71747
51 1TB4 PEJ 0.005093 0.40179 3.71747
52 2X6T NAP 0.000002432 0.47781 4.08922
53 5F5N NAD 0.000002993 0.46536 4.08922
54 4YCA NDP 0.00216 0.42446 4.08922
55 3LJU IP9 0.02423 0.4196 4.08922
56 3TLJ SAH 0.01011 0.40472 4.08922
57 3GGO NAI 0.00241 0.40249 4.08922
58 3GGO ENO 0.00241 0.40249 4.08922
59 3EWR APR 0.008259 0.4058 4.16667
60 1WVG APR 0.0000007218 0.47682 4.17827
61 1LTH NAD 0.00007126 0.40849 4.46097
62 1UWK URO 0.00272 0.40448 4.46097
63 1UWK NAD 0.00272 0.40448 4.46097
64 3RFV NAI 0.0000009417 0.48576 4.49438
65 3RFV 15L 0.00000865 0.45144 4.49438
66 4NEC SAH 0.03217 0.40189 4.54545
67 2HJR APR 0.00009929 0.49107 4.83271
68 4K28 NAD 0.002774 0.42289 4.83271
69 5W3X ACO 0.04412 0.41001 4.83271
70 3VPH NAD 0.0007337 0.40683 4.83271
71 1HYH NAD 0.002209 0.41334 4.85437
72 1RPN NDP 0.000000744 0.52452 5.20446
73 5MSO NAP 0.0000002042 0.50018 5.20446
74 5KKA 6V0 0.0002429 0.41834 5.20446
75 1LDN NAD 0.0006454 0.40193 5.20446
76 2EG5 SAH 0.0328 0.40147 5.20446
77 4JNJ BTN 0.02506 0.40732 5.21739
78 1Z45 NAD 0.000000124 0.58081 5.57621
79 3WMX NAD 0.000001367 0.55487 5.57621
80 5IN4 6CK 0.0000302 0.53262 5.57621
81 5IN4 NAP 0.00003086 0.53262 5.57621
82 5IN4 GDP 0.00003123 0.53121 5.57621
83 2C29 NAP 0.000002598 0.51043 5.57621
84 2C29 DQH 0.000007533 0.49393 5.57621
85 2PV7 NAD 0.0006043 0.44383 5.57621
86 4RF7 ARG 0.03098 0.4089 5.57621
87 2QZZ EMF 0.001828 0.40353 5.57621
88 5JAQ NAI 0.000027 0.46899 5.66502
89 1RL4 BL5 0.0009459 0.405 5.85106
90 2Q46 NAP 0.000000341 0.49968 5.92885
91 2Q1S NAI 0.00001843 0.48006 5.94796
92 3JV7 NAD 0.001308 0.42473 5.94796
93 3CK8 BCD 0.04494 0.40838 5.94796
94 4GGZ BTN 0.01187 0.42725 6.08696
95 1E7S NAP 0.000000114 0.52982 6.3197
96 1EZ4 NAD 0.0004447 0.45246 6.3197
97 2GZ3 NAP 0.001301 0.41881 6.3197
98 4DPL NAP 0.002786 0.41197 6.3197
99 3HO6 IHP 0.04483 0.40465 6.36704
100 1BXK NAD 0.0000001827 0.50776 6.69145
101 2FR1 NDP 0.000000004139 0.62615 6.79012
102 3LU1 NAD 0.00000003239 0.60344 7.0632
103 4PVD NDP 0.0000005243 0.48472 7.0632
104 5L4L 7OX 0.00001969 0.471 7.0632
105 5L4L NAP 0.000001363 0.46672 7.0632
106 5JE8 NAD 0.004932 0.4125 7.0632
107 2FYF PLP 0.04109 0.40669 7.0632
108 1RKX NAD 0.00000001519 0.61047 7.43494
109 4OHU 2TK 0.00000006825 0.58225 7.43494
110 4OHU NAD 0.00000006825 0.58225 7.43494
111 1V35 NAI 0.0000002906 0.54136 7.43494
112 4R5M NAP 0.003049 0.413 7.43494
113 4R5M 4NO 0.004107 0.40304 7.43494
114 5E8J SAH 0.03181 0.40213 7.80669
115 4Y8D 49J 0.03967 0.41137 7.85714
116 3KO8 NAD 0.00000002892 0.54788 8.17844
117 4R1S NAP 0.00000005556 0.51569 8.17844
118 3ABI NAD 0.0003552 0.4467 8.17844
119 4KOA NDP 0.0139 0.41322 8.17844
120 1LLU NAD 0.001102 0.41716 8.55019
121 4GKV NAD 0.0008994 0.40483 8.55019
122 1N7G GDR 0.000002392 0.52512 8.92193
123 1N7G NDP 0.00001397 0.50775 8.92193
124 1R6D DAU 0.0000008521 0.53818 9.29368
125 1R6D NAD 0.000001076 0.53564 9.29368
126 3BAZ NAP 0.008408 0.40286 9.60961
127 4BG4 ARG 0.04628 0.40626 9.66543
128 2PK3 A2R 0.0000004662 0.45532 10.4089
129 1NVM NAD 0.0008327 0.42953 10.7807
130 4HXY NDP 0.000000001199 0.58891 10.9589
131 2IXB NAD 0.002024 0.41479 11.1524
132 3MJE NDP 0.000000002298 0.57309 11.2903
133 4ZRN NAD 0.0000001245 0.56102 11.5242
134 4ZRN UPG 0.000001192 0.46438 11.5242
135 2EXX NAP 0.0002198 0.42671 11.5242
136 3B1J NAD 0.001171 0.42659 11.5242
137 4PIV NDP 0.0000009709 0.49694 11.8959
138 1NYT NAP 0.004256 0.41516 11.8959
139 2Q1W NAD 0.000001094 0.53511 13.0112
140 3I6I NDP 0.000134 0.43806 13.3829
141 1VBO MAN MAN MAN 0.02597 0.41769 13.4228
142 1RZ1 NAD 0.04789 0.409 13.6646
143 4EUE NAI 0.0000007767 0.50243 14.8699
144 4J1Q NDP 0.00000002028 0.53388 15.6134
145 1HDG NAD 0.001617 0.43262 15.6134
146 1UDB NAD 0.0000001541 0.56411 15.9851
147 1UDB UFG 0.002807 0.43775 15.9851
148 1Y1P NMN AMP PO4 0.000003134 0.45005 16.3569
149 1HDO NAP 0.000005911 0.49992 16.7286
150 5L53 NAP 0.000000000379 0.54577 17.4721
151 5L4S NAP 0.00000000004651 0.66713 17.8439
152 5L4S 6KX 0.00000000004651 0.66713 17.8439
153 4Q9N NAI 0.00000002399 0.54827 17.8439
154 4O1M NAD 0.00000004358 0.53434 17.8439
155 1D7O NAD 0.0000006858 0.52182 17.8439
156 1CER NAD 0.0006754 0.44506 18.5874
157 1FK8 NAD 0.00000000008427 0.73464 18.677
158 2DKN NAI 0.0000000000002215 0.68991 20
159 3OIG NAD 0.00000005716 0.52238 20.3008
160 1OC2 NAD 0.0000007047 0.54475 20.4461
161 1OC2 TDX 0.0000007047 0.54475 20.4461
162 4TQG NDP 0.00000002114 0.53936 20.4461
163 1EK6 NAI 0.0000002272 0.56049 20.8178
164 1EK6 UPG 0.000001389 0.53385 20.8178
165 3RJ5 NAD 0.0000000000109 0.69145 22.4409
166 1WMA AB3 0.0000000001019 0.66775 24.1636
167 1WMA NDP 0.0000000001019 0.66775 24.1636
168 1ORR NAD 0.00000005054 0.54536 24.1636
169 2PZM UDP 0.000007843 0.4933 24.5353
170 2PZM NAD 0.000007843 0.4933 24.5353
171 1N5D NDP 0.0000000002308 0.61097 25.2788
172 4K26 SFF 0.000000000814 0.62791 26.0223
173 4K26 NDP 0.000000001361 0.58616 26.0223
174 1KEW TYD 0.0000009359 0.53424 28.6245
175 1KEW NAD 0.000001512 0.52786 28.6245
176 3CH6 311 0.000000001 0.657 28.9963
177 3CH6 NAP 0.000000001 0.657 28.9963
178 5GT9 NAP 0.0000000002625 0.61019 29.2776
179 1XSE NDP 0.00000000004331 0.67485 29.7398
180 2PD4 DCN 0.0000002144 0.53202 30.9091
181 2PD4 NAD 0.0000002427 0.53064 30.9091
182 3O26 NDP 0.000000000005055 0.65646 31.9703
183 4IXW IXW 0.02165 0.42162 32.2835
184 3WXB NDP 0.00000000001467 0.72559 32.7138
185 1NNU NAD 0.0000006869 0.56475 33.3333
186 1SNY NAP 0.00000000569 0.54792 33.3333
187 1NNU TCT 0.005378 0.44254 33.3333
188 4YAG NAI 0.0000000000005063 0.74773 33.4572
189 3ORF NAD 0.00000769 0.46043 35.0598
190 3OJF IMJ 0.00000006811 0.56368 35.7977
191 3OJF NDP 0.00000004132 0.55685 35.7977
192 1A27 NAP 0.00000000008921 0.61654 36.4312
193 3HB5 NAP 0.00000000009896 0.57695 36.4312
194 3HB5 E2B 0.001631 0.43559 36.4312
195 4J7U YTZ 0.000000002655 0.61543 38.29
196 4J7U NAP 0.000000002655 0.61543 38.29
197 1GZ6 NAI 0.000000002531 0.64018 38.6617
198 1OAA OAA 0.0000000002041 0.65698 38.9961
199 4D42 NAP 0.0000002592 0.55456 39.3617
200 4D42 W0I 0.0000002592 0.55456 39.3617
201 2JAH NDP 0.0000000000005995 0.68881 39.6761
202 1Z6Z NAP 0.000000008672 0.55895 39.777
203 2JAP NDP 0.0000000000006065 0.77842 41.2955
204 2JAP J01 0.01493 0.43023 41.2955
205 2WYV NAD 0.000003246 0.4775 42.1456
206 1QG6 NAD 0.0000001231 0.55771 42.5287
207 1QG6 TCL 0.0000001231 0.55771 42.5287
208 4O0L NDP 0.000000000003215 0.75076 42.5455
209 5CG1 NAD BBN 0.000002015 0.53314 42.7509
210 1W73 NAP 0.00000000006805 0.747 43.1227
211 1XG5 NAP 0.00000000008421 0.69662 43.1227
212 1W8D NAP 0.00000000003734 0.58905 43.1227
213 3TN7 NJP 0.000000000002539 0.67267 43.1907
214 3V1U NAD 0.0000000000134 0.61096 43.4944
215 1ZBQ NAD 0.0000000003765 0.60881 44.2379
216 1W6U NAP 0.00000000008527 0.57898 44.2379
217 3SJU NDP 0.000000000000409 0.78495 44.9814
218 3H4V DVP 0.00000000877 0.59697 45.3532
219 3H4V NAP 0.00000002249 0.58074 45.3532
220 3D3W NAP 0.00000000004551 0.64414 46.3115
221 3ZV6 NAD 0.000000000001884 0.72519 46.4684
222 3ZV6 4HB 0.000000000002178 0.72519 46.4684
223 3GEG NAD 0.00000000003136 0.61489 46.5587
224 2BD0 NAP 0.000000000000182 0.715 46.7213
225 1BDB NAD 0.00000000004143 0.69444 46.8401
226 3BMQ NAP 0.000000003597 0.64046 47.2119
227 5JCJ NAP 0.000000005453 0.63965 47.2119
228 4CM4 NAP 0.000000005592 0.63921 47.2119
229 3BMO NAP 0.000000006159 0.63756 47.2119
230 3JQA NAP 0.000000008923 0.63747 47.2119
231 3JQF NAP 0.000000004994 0.63493 47.2119
232 3JQB NAP 0.00000001229 0.63189 47.2119
233 4CMI NAP 0.000000009092 0.63089 47.2119
234 3JQG NAP 0.00000001372 0.62998 47.2119
235 5K6A NAP 0.000000002873 0.5701 47.2119
236 4CM9 NAP 0.000000003215 0.56866 47.2119
237 3JQ8 NAP 0.000000003645 0.56694 47.2119
238 3BMN NAP 0.000000003989 0.56525 47.2119
239 4CME NAP 0.000000004867 0.55807 47.2119
240 5JDC NAP 0.000000005132 0.55668 47.2119
241 4CM8 NAP 0.000000005845 0.55499 47.2119
242 4CLO NAP 0.000000003878 0.55433 47.2119
243 3JQ9 NAP 0.000000009724 0.55429 47.2119
244 5JDI NAP 0.000000006597 0.55356 47.2119
245 4CLR NAP 0.000000007098 0.55258 47.2119
246 3JQ7 NAP 0.00000001584 0.53626 47.2119
247 5JCJ 6JM 0.001783 0.48481 47.2119
248 3JQB DX6 0.01531 0.43406 47.2119
249 4CMI M4V 0.008135 0.43159 47.2119
250 4CM4 4NR 0.02485 0.42297 47.2119
251 3BMO AX4 0.02864 0.41732 47.2119
252 3AFN NAP 0.000000000006836 0.67195 47.2868
253 2VZ0 NAP 0.00000002647 0.61765 47.3881
254 2VZ0 D64 0.00000002647 0.61765 47.3881
255 2WD7 NAP 0.000000008265 0.55069 47.3881
256 3U4C NDP 0.0000000009257 0.57738 47.5836
257 1MXH DHF 0.00000003811 0.5674 47.5836
258 1MXH NAP 0.00000006262 0.55985 47.5836
259 4OSP NAP 0.000000000004124 0.64729 47.9087
260 4FC7 COA 0.0000000001348 0.66147 47.9554
261 4FC7 NAP 0.0000000001348 0.66147 47.9554
262 2WSB NAD 0.0000000000001362 0.76317 48.0315
263 1ZEM NAD 0.00000000008964 0.5929 49.2366
264 3NUG NAD 0.000000000001509 0.67793 49.3927
265 2Q2V NAD 0.0000000000002756 0.71715 49.8039
266 1E3W NAD 0.00000000000003131 0.83678 49.8084
267 1G0N PHH 0.0000000000003902 0.74942 49.8141
268 1G0N NDP 0.0000000000003735 0.74274 49.8141
269 2AE2 NAP 0.0000000000003645 0.74808 50
270 2AE2 PTO 0.0000000000003645 0.74808 50
271 1NFQ NAI 0.0000000000002134 0.7137 50
Pocket No.: 2; Query (leader) PDB : 3AY6; Ligand: BGC; 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: 3ay6.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3AY6; Ligand: BGC; 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: 3ay6.bio1) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3AY6; Ligand: NAI; 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: 3ay6.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3AY6; Ligand: BGC; Similar sites found: 228
This union binding pocket(no: 5) in the query (biounit: 3ay6.bio1) has 50 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BKA NDP 0.00001095 0.40743 1.23967
2 2YY7 NAD 0.000001257 0.44314 1.60256
3 1MFD GLA MMA ABE 0.03515 0.40984 1.86047
4 1I2B NAD 0.00002328 0.45502 2.23048
5 2V6G NAP 0.000007493 0.42194 2.23048
6 4AVB CMP 0.03222 0.4151 2.23048
7 4OOE NDP 0.01288 0.40335 2.23048
8 1SB8 UD2 0.0000009694 0.49625 2.27273
9 1SB8 NAD 0.000001174 0.48667 2.27273
10 1I0Z NAI 0.002215 0.42764 2.60223
11 3F10 8HG 0.02252 0.41342 2.60223
12 3OA2 NAD 0.008984 0.40527 2.60223
13 3GFB NAD 0.01297 0.40091 2.85714
14 4GLL NAD 0.0000006857 0.44901 2.97398
15 1VL0 NAI 0.00000008722 0.44814 2.97398
16 1V6A TRE 0.01795 0.44326 2.97398
17 3V1Y NAD 0.002113 0.43668 2.97398
18 1BW9 NAD 0.00455 0.43401 2.97398
19 1LDM NAD 0.002794 0.42356 2.97398
20 1C1X NAD 0.007662 0.41294 2.97398
21 1VKO NAD 0.00668 0.4038 2.97398
22 1MUU NAD 0.003394 0.43075 2.98165
23 2DT5 NAD 0.005649 0.41357 3.31754
24 2C5A GDC 0.000008044 0.45502 3.34572
25 2C5A NAD 0.000008044 0.45502 3.34572
26 4U7W NDP 0.0000002167 0.45165 3.34572
27 1GY8 NAD 0.000001342 0.44092 3.34572
28 4MDH NAD 0.005362 0.41697 3.34572
29 3G2O SAM 0.01987 0.41309 3.34572
30 3C8F MT2 0.03553 0.40557 3.67347
31 3A4V NAD 0.000000265 0.47622 3.71747
32 3A4V PYR 0.000000265 0.47622 3.71747
33 2F1K NAP 0.001212 0.44691 3.71747
34 2VDV SAM 0.02155 0.42081 3.71747
35 1EQ2 NAP 0.000004489 0.42069 3.71747
36 5H81 NAP 0.01271 0.41371 3.71747
37 1TB4 PEJ 0.009064 0.40287 3.71747
38 1PZG A3D 0.004006 0.40189 3.71747
39 2I3G NAP 0.009117 0.4006 3.71747
40 4YCA NDP 0.004009 0.42489 4.08922
41 2X6T NAP 0.000007007 0.4163 4.08922
42 5F5N NAD 0.00000854 0.40747 4.08922
43 3TLJ SAH 0.01981 0.40238 4.08922
44 3EWR APR 0.0152 0.40502 4.16667
45 1WVG APR 0.000001624 0.41748 4.17827
46 5NBW 8SK 0.04753 0.40615 4.20561
47 3RFV NAI 0.000003197 0.42348 4.49438
48 4NEC SAH 0.04826 0.40269 4.54545
49 2HJR APR 0.000309 0.48303 4.83271
50 4K28 NAD 0.005342 0.42225 4.83271
51 1HYH NAD 0.005496 0.40937 4.85437
52 1RPN NDP 0.000003066 0.51908 5.20446
53 5MSO NAP 0.0000006961 0.43474 5.20446
54 2EG5 SAH 0.04291 0.40535 5.20446
55 4JNJ BTN 0.03804 0.40807 5.21739
56 1Z45 NAD 0.0000004825 0.5755 5.57621
57 3WMX NAD 0.00000312 0.55657 5.57621
58 5IN4 NAP 0.0004624 0.45735 5.57621
59 5IN4 6CK 0.0004525 0.45735 5.57621
60 5IN4 GDP 0.0005128 0.45465 5.57621
61 2C29 NAP 0.00001411 0.44525 5.57621
62 2PV7 NAD 0.001275 0.443 5.57621
63 2C29 DQH 0.00003632 0.43279 5.57621
64 1GQ2 NAP 0.01186 0.4003 5.57621
65 5JAQ NAI 0.00007997 0.41521 5.66502
66 1RL4 BL5 0.001498 0.40924 5.85106
67 2Q46 NAP 0.000001205 0.43384 5.92885
68 3JV7 NAD 0.002017 0.42929 5.94796
69 2Q1S NAI 0.0001233 0.41703 5.94796
70 4GGZ BTN 0.01377 0.4345 6.08696
71 1E7S NAP 0.000000505 0.45543 6.3197
72 1EZ4 NAD 0.001028 0.44995 6.3197
73 4DPL NAP 0.006149 0.4097 6.3197
74 1BXK NAD 0.000000711 0.43776 6.69145
75 2FR1 NDP 0.00000002057 0.61972 6.79012
76 3LU1 NAD 0.0000001194 0.6 7.0632
77 4PVD NDP 0.000001278 0.42362 7.0632
78 5L4L 7OX 0.00005476 0.41407 7.0632
79 5JE8 NAD 0.008338 0.4139 7.0632
80 5L4L NAP 0.000004434 0.40814 7.0632
81 1RKX NAD 0.00000004508 0.61164 7.43494
82 4OHU NAD 0.000001041 0.49876 7.43494
83 4OHU 2TK 0.000001041 0.49876 7.43494
84 1V35 NAI 0.000001403 0.46935 7.43494
85 4R5M NAP 0.006414 0.4113 7.43494
86 4R5M 4NO 0.009373 0.40012 7.43494
87 3KO8 NAD 0.0000001292 0.46797 8.17844
88 4R1S NAP 0.0000001525 0.44713 8.17844
89 3ABI NAD 0.0009039 0.44337 8.17844
90 4KOA NDP 0.03066 0.40679 8.17844
91 1LLU NAD 0.002136 0.41849 8.55019
92 1N7G GDR 0.00004057 0.44837 8.92193
93 1N7G NDP 0.0001797 0.43762 8.92193
94 1R6D DAU 0.000009736 0.46484 9.29368
95 1R6D NAD 0.00001112 0.4641 9.29368
96 3BAZ NAP 0.01408 0.40405 9.60961
97 1NVM NAD 0.001636 0.43033 10.7807
98 4HXY NDP 0.000000006228 0.49989 10.9589
99 2IXB NAD 0.004107 0.41441 11.1524
100 3MJE NDP 0.00000001035 0.48694 11.2903
101 4ZRN NAD 0.0000004428 0.55858 11.5242
102 4ZRN UPG 0.00001188 0.46244 11.5242
103 3B1J NAD 0.002362 0.42651 11.5242
104 5JJR SAH 0.02543 0.4079 11.5242
105 4PIV NDP 0.000002792 0.43435 11.8959
106 1NYT NAP 0.008113 0.41441 11.8959
107 2Q1W NAD 0.000003748 0.53118 13.0112
108 3I6I NDP 0.0004522 0.43401 13.3829
109 4EUE NAI 0.000001834 0.44073 14.8699
110 4J1Q NDP 0.00000008119 0.4577 15.6134
111 1HDG NAD 0.003793 0.42866 15.6134
112 1UDB NAD 0.000002266 0.48352 15.9851
113 1HDO NAP 0.00001704 0.49829 16.7286
114 5L53 NAP 0.00000000121 0.46523 17.4721
115 5L4S 6KX 0.0000000002318 0.56119 17.8439
116 5L4S NAP 0.0000000002318 0.56119 17.8439
117 1D7O NAD 0.000002712 0.51741 17.8439
118 4Q9N NAI 0.00000008438 0.47209 17.8439
119 4O1M NAD 0.0000001266 0.46302 17.8439
120 1CER NAD 0.001366 0.44471 18.5874
121 1FK8 NAD 0.0000000004125 0.72846 18.677
122 2DKN NAI 0.000000000001519 0.57334 20
123 3OIG NAD 0.0000001475 0.45335 20.3008
124 1OC2 TDX 0.000009677 0.46809 20.4461
125 1OC2 NAD 0.000009677 0.46809 20.4461
126 4TQG NDP 0.00000007879 0.46349 20.4461
127 1EK6 NAI 0.000003014 0.48194 20.8178
128 1EK6 UPG 0.00001518 0.4619 20.8178
129 3RJ5 NAD 0.00000000006861 0.5804 22.4409
130 1WMA AB3 0.000000001394 0.56264 24.1636
131 1WMA NDP 0.000000001394 0.56264 24.1636
132 1ORR NAD 0.00000017 0.46997 24.1636
133 2PZM NAD 0.00005354 0.42718 24.5353
134 2PZM UDP 0.00005354 0.42718 24.5353
135 1N5D NDP 0.0000000009774 0.51849 25.2788
136 4K26 SFF 0.000000005504 0.53228 26.0223
137 4K26 NDP 0.000000006384 0.49768 26.0223
138 1KEW TYD 0.00001212 0.45966 28.6245
139 1KEW NAD 0.00001666 0.45645 28.6245
140 3CH6 NAP 0.00000003047 0.55352 28.9963
141 3CH6 311 0.00000003047 0.55352 28.9963
142 5GT9 NAP 0.000000001112 0.51847 29.2776
143 1XSE NDP 0.000000000467 0.5658 29.7398
144 2PD4 DCN 0.0000006556 0.46186 30.9091
145 2PD4 NAD 0.0000006875 0.46048 30.9091
146 3O26 NDP 0.00000000002345 0.55236 31.9703
147 4IXW IXW 0.03123 0.42308 32.2835
148 3WXB NDP 0.00000000006633 0.72425 32.7138
149 1SNY NAP 0.00000001995 0.47146 33.3333
150 1NNU TCT 0.00698 0.41827 33.3333
151 1NNU NAD 0.00698 0.41827 33.3333
152 4YAG NAI 0.00000000001161 0.61826 33.4572
153 3ORF NAD 0.00002004 0.40533 35.0598
154 3OJF IMJ 0.0000004319 0.48515 35.7977
155 3OJF NDP 0.0000001317 0.48111 35.7977
156 3HB5 NAP 0.000000002943 0.5761 36.4312
157 1A27 NAP 0.0000000003776 0.52115 36.4312
158 4J7U NAP 0.00000002122 0.52641 38.29
159 4J7U YTZ 0.00000002122 0.52641 38.29
160 1GZ6 NAI 0.0000000121 0.63435 38.6617
161 1OAA OAA 0.000000002605 0.55566 38.9961
162 4D42 NAP 0.000002895 0.47902 39.3617
163 4D42 W0I 0.000002895 0.47902 39.3617
164 2JAH NDP 0.000000000002767 0.57285 39.6761
165 1Z6Z NAP 0.00000002955 0.48254 39.777
166 2JAP NDP 0.000000000002922 0.77817 41.2955
167 2WYV NAD 0.00001154 0.41747 42.1456
168 1QG6 TCL 0.0000009873 0.47917 42.5287
169 1QG6 NAD 0.0000009873 0.47917 42.5287
170 4O0L NDP 0.00000000001445 0.75057 42.5455
171 5CG1 NAD BBN 0.00003325 0.45576 42.7509
172 1W73 NAP 0.0000000003121 0.74171 43.1227
173 1XG5 NAP 0.0000000003263 0.69674 43.1227
174 1W8D NAP 0.0000000001614 0.49663 43.1227
175 3TN7 NJP 0.00000000001089 0.56525 43.1907
176 3V1U NAD 0.00000000007139 0.51285 43.4944
177 1ZBQ NAD 0.000000002282 0.51238 44.2379
178 1W6U NAP 0.0000000003685 0.48875 44.2379
179 3SJU NDP 0.000000000002552 0.78051 44.9814
180 3H4V DVP 0.00000009613 0.50522 45.3532
181 3H4V NAP 0.0000002135 0.49251 45.3532
182 3D3W NAP 0.0000000002307 0.54086 46.3115
183 3ZV6 4HB 0.00000000002846 0.6078 46.4684
184 3ZV6 NAD 0.0000000000204 0.6078 46.4684
185 3GEG NAD 0.0000000001546 0.51622 46.5587
186 2BD0 NAP 0.000000000001157 0.59242 46.7213
187 1BDB NAD 0.0000000001491 0.69699 46.8401
188 3BMQ NAP 0.0000000152 0.63613 47.2119
189 4CM4 NAP 0.00000002161 0.63578 47.2119
190 5JCJ NAP 0.000000022 0.63546 47.2119
191 3BMO NAP 0.00000002409 0.63384 47.2119
192 3JQA NAP 0.00000003761 0.63176 47.2119
193 3JQF NAP 0.00000002133 0.63019 47.2119
194 3JQG NAP 0.0000000495 0.62679 47.2119
195 3JQB NAP 0.00000005011 0.62657 47.2119
196 4CMI NAP 0.00000003659 0.6264 47.2119
197 5JCJ 6JM 0.002687 0.48682 47.2119
198 5K6A NAP 0.00000001241 0.48524 47.2119
199 4CM9 NAP 0.00000001317 0.48471 47.2119
200 3JQ8 NAP 0.00000001415 0.48384 47.2119
201 3BMN NAP 0.00000001595 0.48223 47.2119
202 4CME NAP 0.00000002018 0.47655 47.2119
203 3JQ9 NAP 0.00000003649 0.47502 47.2119
204 5JDC NAP 0.00000002121 0.47483 47.2119
205 4CM8 NAP 0.00000002423 0.47371 47.2119
206 4CLO NAP 0.00000001595 0.47278 47.2119
207 5JDI NAP 0.00000002773 0.47264 47.2119
208 4CLR NAP 0.00000002931 0.47202 47.2119
209 3JQ7 NAP 0.00000005861 0.45981 47.2119
210 4CMI M4V 0.0133 0.43157 47.2119
211 3BMO AX4 0.0406 0.41799 47.2119
212 3AFN NAP 0.00000000003314 0.56358 47.2868
213 2VZ0 NAP 0.0000005831 0.52474 47.3881
214 2VZ0 D64 0.0000005831 0.52474 47.3881
215 2WD7 NAP 0.00000003272 0.47097 47.3881
216 3U4C NDP 0.000000003571 0.49014 47.5836
217 1MXH DHF 0.0000001958 0.48527 47.5836
218 1MXH NAP 0.0000003146 0.47952 47.5836
219 4OSP NAP 0.0000000000265 0.53808 47.9087
220 4FC7 COA 0.000000001974 0.55311 47.9554
221 4FC7 NAP 0.000000001974 0.55311 47.9554
222 2WSB NAD 0.000000000001863 0.63088 48.0315
223 1ZEM NAD 0.0000000004464 0.49869 49.2366
224 3NUG NAD 0.000000000007329 0.56611 49.3927
225 2Q2V NAD 0.000000000001675 0.59565 49.8039
226 1E3W NAD 0.0000000000001797 0.83507 49.8084
227 1G0N PHH 0.000000000007325 0.61926 49.8141
228 1G0N NDP 0.000000000003389 0.61455 49.8141
229 2AE2 NAP 0.000000000005431 0.61949 50
230 2AE2 PTO 0.000000000005431 0.61949 50
231 1NFQ NAI 0.0000000000009301 0.59605 50
Pocket No.: 6; Query (leader) PDB : 3AY6; Ligand: NAI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3ay6.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3AY6; Ligand: BGC; 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: 3ay6.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3AY6; Ligand: NAI; 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: 3ay6.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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