Receptor
PDB id Resolution Class Description Source Keywords
5THQ 2.3 Å EC: 1.-.-.- COMPREHENSIVE ANALYSIS OF A NOVEL KETOREDUCTASE FOR PENTANGU POLYPHENOL BIOSYNTHESIS UNCULTURED BACTERIUM ARIXANTHOMYCIN PENTANGULAR POLYPHENOL POLYKETIDE KETOREDUCOXIDOREDUCTASE
Ref.: COMPREHENSIVE ANALYSIS OF A NOVEL KETOREDUCTASE FOR PENTANGULAR POLYPHENOL BIOSYNTHESIS. ACS CHEM. BIOL. V. 11 3421 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDP F:301;
G:301;
C:301;
D:301;
E:301;
H:301;
A:301;
B:301;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
745.421 C21 H30 N7 O17 P3 c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5THQ 2.3 Å EC: 1.-.-.- COMPREHENSIVE ANALYSIS OF A NOVEL KETOREDUCTASE FOR PENTANGU POLYPHENOL BIOSYNTHESIS UNCULTURED BACTERIUM ARIXANTHOMYCIN PENTANGULAR POLYPHENOL POLYKETIDE KETOREDUCOXIDOREDUCTASE
Ref.: COMPREHENSIVE ANALYSIS OF A NOVEL KETOREDUCTASE FOR PENTANGULAR POLYPHENOL BIOSYNTHESIS. ACS CHEM. BIOL. V. 11 3421 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 5THQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 5THQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
50% Homology Family (169)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3PJD ic50 = 380 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
2 1QSG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 1DFG - NAD NDT n/a n/a
4 1I30 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 1DFH - NAD TDB n/a n/a
6 1QG6 Kd = 22 pM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
7 4CV2 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
8 4D46 - J47 C13 H7 Br Cl N O2 c1cc(c(cc1....
9 1C14 ic50 = 120 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
10 1LXC ic50 = 0.37 uM AYM C19 H20 N4 O Cn1c2ccccc....
11 1MFP ic50 = 0.07 uM IDN C22 H22 N4 O2 Cn1cc(c2c1....
12 4CV3 Ki = 7 nM VT4 C19 H25 N O2 CCCCCCC1=C....
13 1DFI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
14 1D8A - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
15 3PJE ic50 = 470 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
16 1LX6 - ZAM C22 H26 N4 O2 CC(=O)N(C)....
17 3PJF ic50 = 68500 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
18 1E3S - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
19 2VZ0 Ki = 9.8 nM D64 C15 H14 N4 Cc1ccc(cc1....
20 3MCV Ki = 70 nM MCV C16 H18 N4 O2 S COc1ccc(c(....
21 3JQD Ki = 0.71 uM DX7 C13 H9 N5 O c1ccc(cc1)....
22 4BNK Ki = 1.42 nM FPL C12 H9 F O2 c1ccc(cc1)....
23 4ALI - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
24 4CV0 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
25 4D41 Ki = 0.05 nM JA1 C18 H21 N O4 CCCCCCc1cc....
26 4BNG Ki = 0.04 nM 5PP C17 H20 O2 CCCCCc1ccc....
27 4BNL Ki = 110 pM W1G C15 H14 O2 C=CCc1ccc(....
28 4D45 Ki = 0.17 nM J47 C13 H7 Br Cl N O2 c1cc(c(cc1....
29 4BNM - TCU C19 H24 O2 CCCCCCc1cc....
30 4ALK - GLU C5 H9 N O4 C(CC(=O)O)....
31 3GR6 Kd = 18.6 uM NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
32 4BNH Ki = 10 pM 6PN C18 H22 O2 CCCCCCc1cc....
33 4BNI Ki = 120 pM P1F C18 H23 N O2 CCCCCCc1cc....
34 4BNN Ki = 120 pM JUS C19 H21 N O2 CCCCCCc1cc....
35 4CV1 - PT6 C19 H20 N2 O2 S Cc1c(cccc1....
36 4BNJ Ki = 380 pM MJ5 C13 H12 O2 Cc1ccc(c(c....
37 4FS3 Ki = 12.8 nM 0WE C22 H23 N3 O3 Cc1c2ccccc....
38 4D44 Ki = 0.35 nM JA3 C13 H11 F2 N O2 CCc1cc(c(c....
39 4D43 Ki = 0.75 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
40 4ALJ - GLU C5 H9 N O4 C(CC(=O)O)....
41 4BNF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
42 4D42 Ki = 0.01 nM W0I C18 H21 F O2 CCCCCCc1cc....
43 1W4Z - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
44 5CPB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
45 5MTR Ki = 350 nM XT0 C21 H20 N4 O2 c1ccc(c(c1....
46 4BGI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
47 4OHU Ki = 0.2 nM 2TK C18 H21 Br O2 CCCCCCc1cc....
48 4OIM Ki = 2.14 nM JUS C19 H21 N O2 CCCCCCc1cc....
49 2IDZ Kd < 0.4 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
50 2AQH Kd = 14.9 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
51 4BII - PYW C27 H32 N4 O8 CC/C(=C1/C....
52 3FNG ic50 = 110 nM JPL C19 H20 Cl2 O2 c1cc(c(cc1....
53 2H9I - EAD C29 H36 N8 O15 P2 CCc1cc(ccn....
54 1ENY - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
55 2NSD ic50 = 5.16 uM 4PI C20 H23 N O Cc1ccc(cc1....
56 2X23 Ki = 7.8 nM TCU C19 H24 O2 CCCCCCc1cc....
57 5G0U ic50 = 0.297 uM 9CV C30 H31 F N6 O2 CNC(=O)c1c....
58 4TRN - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
59 2X22 Ki = 7.8 nM TCU C19 H24 O2 CCCCCCc1cc....
60 4DQU - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
61 2IE0 - ZID C27 H30 N8 O15 P2 c1cnccc1C(....
62 4U0J ic50 = 10.66 uM 566 C17 H22 N2 O2 c1ccc(cc1)....
63 4COD ic50 = 34 nM KV1 C23 H27 N5 O4 CCc1cc(n(n....
64 5COQ Ki = 427.5 nM TCU C19 H24 O2 CCCCCCc1cc....
65 2AQ8 Kd = 2.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
66 4TZK ic50 = 0.39 uM 641 C17 H20 Cl2 N2 O2 c1c(cc(cc1....
67 4QXM ic50 = 0.05 uM 713 C20 H19 Cl F N3 O Cc1cc(n(n1....
68 4BGE - PYW C27 H32 N4 O8 CC/C(=C1/C....
69 2PR2 Ki = 130 nM DG1 C27 H33 N8 O18 P3 c1cnccc1C(....
70 2NTJ Ki = 2 nM P1H C30 H38 N8 O15 P2 CCCc1cc(cc....
71 5G0W ic50 = 16.3 uM 9NU C32 H40 N6 O5 C[C@H]([C@....
72 5MTP Ki = 610 nM 53K C22 H19 N3 O2 Cc1ccccc1O....
73 4TRJ ic50 = 0.89 uM 665 C17 H21 Br N2 O2 c1cc(cc(c1....
74 3FNF ic50 = 51 nM JPM C19 H14 Cl2 O2 c1ccc(cc1)....
75 4BQR ic50 = 0.2 uM IBH C16 H14 F2 N4 O2 S2 Cc1csc(n1)....
76 4BQP Kd = 13.7 nM VMY C18 H16 F2 N6 O S2 Cc1csc(n1)....
77 4OXK Ki = 40 nM 1S5 C19 H26 N2 O2 CCCCCCC1=C....
78 5UGU Ki = 370 nM XTV C19 H16 N4 O2 c1ccc(c(c1....
79 4OYR Ki = 0.96 nM 1US C18 H21 Cl O2 CCCCCCc1cc....
80 4DTI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
81 3OF2 Kd = 4.7 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
82 3OEY Kd = 3.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
83 2AQI Kd = 32 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
84 5G0S ic50 = 0.065 uM EEH C33 H40 N4 O4 S Cc1c2ccccc....
85 2NV6 ic50 = 323 nM ZID C27 H30 N8 O15 P2 c1cnccc1C(....
86 4U0K ic50 = 0.97 uM 744 C18 H23 Cl N2 O2 Cc1ccc(cc1....
87 4DRE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
88 4TRO Ki = 0.75 nM NAD ZID n/a n/a
89 2AQK Kd = 23 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
90 5G0V ic50 = 5.917 uM JDD C24 H28 N6 O2 CNC(=O)CN(....
91 5G0T ic50 = 0.057 uM S72 C29 H35 F N6 O3 Cc1c(nnn1C....
92 2NTV Ki = 11 nM P1H C30 H38 N8 O15 P2 CCCc1cc(cc....
93 4OXY Ki = 129 nM 1TN C18 H21 N O4 CCCCCCc1cc....
94 2IEB - ZID C27 H30 N8 O15 P2 c1cnccc1C(....
95 3FNE ic50 = 29 nM 8PC C18 H13 Cl2 N O2 c1ccnc(c1)....
96 2B35 Ki = 0.22 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
97 4TZT ic50 = 23.12 uM 468 C18 H23 Cl N2 O2 Cc1c(cccc1....
98 4OXN Ki = 40 nM 1S5 C19 H26 N2 O2 CCCCCCC1=C....
99 5CP8 Ki = 1570.6 nM TCU C19 H24 O2 CCCCCCc1cc....
100 3OEW Kd = 1.5 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
101 1D7O - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
102 1CWU - NAD TDB n/a n/a
103 1ENO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
104 4N5M - CAA C25 H40 N7 O18 P3 S CC(=O)CC(=....
105 4BO0 ic50 = 0.2 uM FXE C17 H18 N4 O3 Cn1c2cccc(....
106 4BNZ ic50 = 0.26 uM 8M5 C16 H14 N2 O Cn1cc(c2c1....
107 4BKU - 1S5 C19 H26 N2 O2 CCCCCCC1=C....
108 5I8W Ki = 55 nM 69H C19 H23 F O2 CCCCCCc1cc....
109 5I9M Ki = 55 nM 69K C14 H14 F N O2 CCc1cc(c(c....
110 5I8Z Ki = 158 nM JA1 C18 H21 N O4 CCCCCCc1cc....
111 5I7S Ki = 32 nM E9P C14 H14 O2 CCc1ccc(c(....
112 5I9L Ki = 153 nM 9W7 C14 H11 Cl F N O4 CCc1cc(c(c....
113 2AE2 - PTO C8 H15 N O CN1[C@H]2C....
114 2WYV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
115 2WYW - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
116 1NFQ - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
117 3SJ7 Kd = 53.93 uM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
118 1X1T - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
119 2ZTV - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
120 1ZEM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
121 3LT4 Ki = 0.1 uM FB4 C12 H9 Cl2 N O2 c1cc(c(cc1....
122 3AM4 ic50 = 97 nM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
123 2O2Y Ki = 0.4 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
124 1VRW - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
125 4IGE ic50 = 0.25 uM CHJ C16 H11 Cl O4 CC1=CC(=O)....
126 2OL4 ic50 = 440 nM JPN C21 H18 Cl2 O2 c1ccc(cc1)....
127 3LT0 Ki = 0.18 uM FT1 C13 H8 Cl2 O3 c1cc(c(cc1....
128 3AM5 Ki = 38 nM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
129 4IGF ic50 = 6 uM CHV C15 H9 Cl O5 c1cc2c(cc1....
130 1ZK1 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
131 4JP3 - CIT C6 H8 O7 C(C(=O)O)C....
132 2WSB - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
133 5CG1 - NAD BBN n/a n/a
134 5CG2 - NAD CJ3 n/a n/a
135 2Q2V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
136 2Q2Q - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
137 3NUG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
138 1G0O Ki = 14 nM PYQ C11 H11 N O c1cc2c3c(c....
139 4ITU - 1HS C5 H12 O4 S2 C[C@@H](CS....
140 4RF2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
141 1GCO - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
142 5T2U - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
143 4NBU - CAA C25 H40 N7 O18 P3 S CC(=O)CC(=....
144 4KWH - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
145 4OSO - 2V4 C19 H14 O6 C[C@]1(Cc2....
146 5L4N ic50 = 57 uM 6QT C15 H12 O4 c1cc(cc(c1....
147 2EWM - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
148 3AI3 - SOE C6 H12 O6 C1[C@@H]([....
149 3AI2 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
150 4CR6 - MAN C6 H12 O6 C([C@@H]1[....
151 4ZA2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
152 3OIG - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
153 1AHH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
154 3VDQ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
155 5B4V - DXX C4 H6 O4 CC(C(=O)O)....
156 5B4U - MLA C3 H4 O4 C(C(=O)O)C....
157 5FF9 ic50 = 5230 uM AEF C8 H11 N O c1cc(ccc1C....
158 4O1M - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
159 2DTE - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
160 3OID - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
161 2PD4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
162 2PD3 - TCL C12 H7 Cl3 O2 c1cc(c(cc1....
163 1EDO - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
164 2QIO ic50 = 3.6 uM TCL C12 H7 Cl3 O2 c1cc(c(cc1....
165 3OJF ic50 = 0.06 uM IMJ C23 H24 N4 O2 Cc1c(c2ccc....
166 4Q9N ic50 = 0.95 uM 0WE C22 H23 N3 O3 Cc1c2ccccc....
167 5THQ - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
168 3QWF - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
169 3AFN - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NDP; Similar ligands found: 159
No: Ligand ECFP6 Tc MDL keys Tc
1 NDP 1 1
2 0WD 0.827273 1
3 NAI 0.803738 0.986842
4 NMN AMP PO4 0.794643 0.948052
5 NPW 0.692308 0.962025
6 NZQ 0.686441 0.987013
7 DG1 0.68 1
8 1DG 0.68 1
9 A2R 0.650943 0.909091
10 A22 0.64486 0.934211
11 TXP 0.644628 0.924051
12 ATR 0.640777 0.894737
13 NA7 0.636364 0.886076
14 XNP 0.620968 0.949367
15 AP0 0.598361 0.948718
16 A2P 0.598039 0.881579
17 NJP 0.574803 0.923077
18 25L 0.550847 0.934211
19 ODP 0.550388 0.936709
20 NAX 0.544 0.949367
21 25A 0.53913 0.921053
22 2AM 0.529412 0.87013
23 6V0 0.519685 0.974026
24 NAP 0.514493 0.922078
25 EAD 0.507143 0.949367
26 A2D 0.504673 0.921053
27 TXE 0.503876 0.935897
28 NA0 0.496454 0.910256
29 TXD 0.496124 0.911392
30 SAP 0.495575 0.875
31 AGS 0.495575 0.875
32 P1H 0.493056 0.925926
33 CO7 0.489796 0.791209
34 TAP 0.489362 0.864198
35 PAP 0.482456 0.907895
36 BA3 0.481818 0.921053
37 NAJ PZO 0.478261 0.924051
38 ATP 0.477876 0.921053
39 B4P 0.477477 0.921053
40 ADP 0.477477 0.921053
41 AP5 0.477477 0.921053
42 OAD 0.47541 0.897436
43 5FA 0.473684 0.921053
44 AR6 0.473684 0.896104
45 APR 0.473684 0.896104
46 AQP 0.473684 0.921053
47 AN2 0.473214 0.909091
48 3OD 0.467742 0.897436
49 50T 0.464912 0.884615
50 PO4 PO4 A A A A PO4 0.463415 0.857143
51 V3L 0.461538 0.896104
52 2A5 0.46087 0.85
53 A1R 0.459016 0.841463
54 ADQ 0.459016 0.897436
55 4AD 0.459016 0.875
56 OVE 0.458716 0.8375
57 OMR 0.458647 0.813953
58 PPS 0.457627 0.811765
59 AD9 0.456897 0.897436
60 CA0 0.45614 0.897436
61 M33 0.45614 0.884615
62 ADJ 0.455882 0.879518
63 A3P 0.455357 0.894737
64 ACP 0.452174 0.897436
65 ENP 0.451613 0.85
66 UP5 0.451128 0.948052
67 SRP 0.45 0.8625
68 ANP 0.449153 0.897436
69 ACQ 0.449153 0.897436
70 PRX 0.448276 0.82716
71 5AL 0.445378 0.884615
72 7D4 0.443478 0.8375
73 ADX 0.443478 0.811765
74 AMP 0.436364 0.894737
75 A 0.436364 0.894737
76 4TC 0.433824 0.924051
77 7D3 0.433628 0.8375
78 ETB 0.433566 0.797753
79 DCA 0.433566 0.788889
80 1ZZ 0.433071 0.802326
81 BIS 0.433071 0.864198
82 00A 0.432 0.864198
83 ATF 0.429752 0.886076
84 0T1 0.427586 0.788889
85 5SV 0.427419 0.788235
86 8QN 0.427419 0.884615
87 3AM 0.427273 0.857143
88 N01 0.426573 0.884615
89 PR8 0.425197 0.811765
90 WAQ 0.425197 0.841463
91 LAD 0.425197 0.821429
92 DTP 0.425 0.8375
93 AMO 0.424 0.886076
94 PAJ 0.424 0.843373
95 APC 0.423729 0.886076
96 UPA 0.423358 0.935897
97 48N 0.422222 0.853659
98 FYA 0.421875 0.860759
99 PTJ 0.421875 0.853659
100 CNA 0.421429 0.910256
101 PUA 0.42069 0.9125
102 NXX 0.419118 0.910256
103 DND 0.419118 0.910256
104 AV2 0.418033 0.848101
105 COA 0.417808 0.788889
106 3UK 0.417323 0.897436
107 OOB 0.416 0.909091
108 IVC 0.415584 0.78022
109 DAT 0.415254 0.8375
110 NDO 0.414966 0.897436
111 139 0.414286 0.901235
112 3AT 0.413223 0.896104
113 TAT 0.413223 0.886076
114 YLB 0.413043 0.784091
115 62F 0.4125 0.823529
116 ABM 0.412281 0.848101
117 YAP 0.412214 0.875
118 YLP 0.411765 0.784091
119 ME8 0.410853 0.802326
120 NB8 0.410853 0.853659
121 SON 0.410256 0.886076
122 DLL 0.409449 0.909091
123 AHX 0.409449 0.853659
124 COS 0.409396 0.771739
125 AMX 0.409396 0.797753
126 CAO 0.409396 0.763441
127 30N 0.409396 0.72449
128 7D5 0.409091 0.8125
129 4UW 0.408759 0.9125
130 APX 0.407692 0.841463
131 SRA 0.40708 0.85
132 CMX 0.406667 0.788889
133 SCO 0.406667 0.788889
134 TYM 0.405797 0.886076
135 COD 0.405594 0.777778
136 OXK 0.405229 0.771739
137 CA6 0.405229 0.70297
138 A12 0.405172 0.886076
139 AP2 0.405172 0.886076
140 9SN 0.40458 0.853659
141 LAQ 0.404412 0.802326
142 T5A 0.404255 0.914634
143 FAM 0.403974 0.771739
144 ACO 0.403974 0.763441
145 FCX 0.403974 0.763441
146 AMP MG 0.403509 0.825
147 VO4 ADP 0.403226 0.860759
148 ADP VO4 0.403226 0.860759
149 YLC 0.402878 0.823529
150 1VU 0.402597 0.763441
151 FA5 0.401515 0.886076
152 HAX 0.401316 0.771739
153 APU 0.4 0.923077
154 TXA 0.4 0.886076
155 A U 0.4 0.898734
156 4UU 0.4 0.948052
157 AFH 0.4 0.843373
158 CAJ 0.4 0.771739
159 AR6 AR6 0.4 0.871795
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5THQ; Ligand: NDP; Similar sites found: 368
This union binding pocket(no: 1) in the query (biounit: 5thq.bio2) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1HDO NAP 0.000001602 0.50123 None
2 2BOS GLA GAL GLC 0.005514 0.43049 None
3 2BOS GLA GAL 0.007753 0.41865 None
4 2BOS GLA GAL GLC NBU 0.02375 0.41544 None
5 1RDL MMA 0.02317 0.40994 None
6 3HNB 768 0.04838 0.40309 None
7 3A4T SFG 0.001492 0.43497 0.735294
8 2QBU SAH 0.009585 0.40958 1.2931
9 5E9W SAH 0.003677 0.4445 1.47059
10 5E8J SAH 0.005856 0.4304 1.47059
11 2WG9 OCA 0.02527 0.41465 1.53846
12 3NJ4 NAD 0.01283 0.425 1.83824
13 3NJ4 AFX 0.01317 0.42449 1.83824
14 5KOK SAH 0.004942 0.41919 1.83824
15 1RJD SAM 0.005748 0.41307 1.83824
16 1M2W NAD 0.009285 0.40109 1.83824
17 3NBC LAT 0.01546 0.42627 2.02703
18 1RPN NDP 0.00000008453 0.53153 2.20588
19 1P31 EPU 0.003044 0.43214 2.20588
20 4L8V NAP 0.000794 0.42387 2.20588
21 1NVM NAD 0.001311 0.41179 2.20588
22 2CUN 3PG 0.04163 0.40276 2.20588
23 2GLX NDP 0.00637 0.40236 2.20588
24 1L1E SAH 0.0149 0.40087 2.20588
25 4UCI SAM 0.01327 0.40013 2.20588
26 4JK3 NAD 0.0009292 0.43022 2.3166
27 2VT3 ATP 0.0008422 0.47605 2.32558
28 1TL2 NDG 0.03483 0.40716 2.54237
29 1EZ4 NAD 0.00007649 0.47316 2.57353
30 3ABI NAD 0.00005535 0.46739 2.57353
31 1GQ2 NAP 0.0007055 0.42875 2.57353
32 2DT5 NAD 0.0007972 0.42672 2.57353
33 1F8G NAD 0.004851 0.41314 2.57353
34 1NVT NAP 0.004736 0.40766 2.57353
35 1L7E NAI 0.006776 0.40126 2.57353
36 2B4R NAD 0.0009236 0.4174 2.6087
37 2B4R AES 0.002511 0.40504 2.6087
38 5D4V SAH 0.005693 0.41017 2.61194
39 2HNK SAH 0.007842 0.40719 2.92887
40 4TQG NDP 0.000000002512 0.6372 2.94118
41 1E5Q NDP 0.0001581 0.45361 2.94118
42 2XYQ SAH 0.001831 0.44212 2.94118
43 1Q8S MAN MMA 0.01471 0.42783 2.94118
44 3I6I NDP 0.00007895 0.42551 2.94118
45 4XZ3 COA 0.002554 0.42179 2.94118
46 3OA2 NAD 0.001403 0.41732 2.94118
47 1JG3 ADN 0.006706 0.41661 2.94118
48 2GND MAN 0.02512 0.4164 2.94118
49 1I9G SAM 0.004945 0.41591 2.94118
50 4YCA NDP 0.002437 0.41363 2.94118
51 2GN3 MMA 0.02037 0.41338 2.94118
52 2GN3 MAN 0.02065 0.41103 2.94118
53 3IHG FAD 0.002716 0.40634 2.94118
54 3SHR CMP 0.02614 0.40592 2.94118
55 2GMM MAN MAN 0.04016 0.40561 2.94118
56 1G55 SAH 0.01297 0.40057 2.94118
57 1CF2 NAP 0.0002495 0.43288 2.96736
58 3LCC SAH 0.00577 0.4231 2.97872
59 2XVM SAH 0.001109 0.46524 3.01508
60 2FKA BEF 0.003578 0.46039 3.10078
61 1Z0N BCD 0.01907 0.43363 3.125
62 1IM8 SAI 0.00668 0.41023 3.27869
63 2C5A NAD 0.00000001851 0.46751 3.30882
64 2C5A GDC 0.00000001851 0.46751 3.30882
65 1LDN NAD 0.00006806 0.46566 3.30882
66 1ZQ9 SAM 0.0007923 0.45856 3.30882
67 1KYQ NAD 0.001462 0.45063 3.30882
68 5LD5 NAD 0.000534 0.4502 3.30882
69 1BW9 NAD 0.0007674 0.44727 3.30882
70 1C1X NAD 0.000604 0.43763 3.30882
71 1WP4 NDP 0.0007382 0.43103 3.30882
72 3B20 NAD 0.001469 0.42855 3.30882
73 4DPL NAP 0.0006685 0.42668 3.30882
74 4LWP SAH 0.004342 0.42516 3.30882
75 5THY SAH 0.003123 0.42459 3.30882
76 2A92 NAI 0.0005756 0.42081 3.30882
77 2G5C NAD 0.001178 0.41742 3.30882
78 3L4S NAD 0.001309 0.40789 3.30882
79 1D1T NAD 0.00137 0.40658 3.30882
80 2CVZ NDP 0.004134 0.40452 3.30882
81 2YYY NAP 0.003166 0.40378 3.30882
82 3L4S 3PG 0.001417 0.40297 3.30882
83 5T9E NAP 0.004578 0.40277 3.32103
84 4YMH SAH 0.0027 0.42734 3.33333
85 5ULP KB1 0.002291 0.42062 3.35821
86 5LOG SAH 0.004932 0.41923 3.43348
87 2E0N SAH 0.0158 0.40283 3.4749
88 4M38 SAH 0.006616 0.41041 3.49854
89 3V1Y NAD 0.0003961 0.44488 3.56083
90 5IN4 NAP 0.000006568 0.58729 3.67647
91 5IN4 6CK 0.00000643 0.58729 3.67647
92 5IN4 GDP 0.000007574 0.58316 3.67647
93 3A4V PYR 0.00000001547 0.55548 3.67647
94 3A4V NAD 0.00000001547 0.55548 3.67647
95 1Y1P NMN AMP PO4 0.000001663 0.55495 3.67647
96 5JE8 NAD 0.0006996 0.43837 3.67647
97 2CVQ NDP 0.000629 0.43066 3.67647
98 5FA5 MTA 0.006664 0.42385 3.67647
99 1PZG A3D 0.0001945 0.41681 3.67647
100 5AYV KPL 0.004917 0.40017 3.67647
101 1EXF GLY 0.01879 0.42207 3.71901
102 1X87 NAD 0.0002561 0.46354 4.04412
103 1E7S NAP 0.0006151 0.46294 4.04412
104 5MDH NAD 0.0001777 0.4551 4.04412
105 4MDH NAD 0.0002532 0.44912 4.04412
106 5AHO TLA 0.00368 0.43964 4.04412
107 3A27 SAM 0.002343 0.43728 4.04412
108 2DBZ NAP 0.0006905 0.4291 4.04412
109 3GCZ SAM 0.004938 0.42263 4.04412
110 5A0U CHT 0.02265 0.4172 4.04412
111 2P41 SAH 0.00904 0.41073 4.04412
112 3VYW SAM 0.01023 0.40216 4.04412
113 1I36 NAP 0.0007975 0.44655 4.16667
114 1V7Z CRN 0.02422 0.40761 4.23077
115 2DC1 NAD 0.0008406 0.42884 4.23729
116 1O6Z NAD 0.0004802 0.44848 4.29043
117 5TWJ SAM 0.005835 0.41599 4.32099
118 1DQN IMU 0.02113 0.41459 4.34783
119 3B7G ANP 0.029 0.40006 4.34783
120 1BXK NAD 0.00000001135 0.61214 4.41176
121 4PVD NDP 0.0000002967 0.56863 4.41176
122 3EVG SAH 0.003628 0.42869 4.41176
123 2D2I NAP 0.002012 0.42612 4.41176
124 1U8X NAD 0.002076 0.41639 4.41176
125 3REF GDP 0.005251 0.41478 4.41176
126 4KRI SAH 0.007046 0.40922 4.41176
127 3S6X SIA GAL BGC 0.0352 0.40804 4.41176
128 1U1I NAD 0.0009334 0.40575 4.41176
129 3FUU ADN 0.003347 0.4267 4.42804
130 3EW2 BTN 0.01472 0.41862 4.44444
131 2VDV SAM 0.006032 0.42978 4.47154
132 5CAE COA 0.000431 0.4504 4.47284
133 5CAE SIN 0.001404 0.40223 4.47284
134 1ORR NAD 0.000000001565 0.61089 4.77941
135 4D3F NAP 0.0003777 0.46038 4.77941
136 2I3G NAP 0.000268 0.43665 4.77941
137 1BXG NAD 0.0007438 0.43404 4.77941
138 2ZWA SAH 0.005316 0.41144 4.77941
139 3NTD FAD 0.003662 0.40844 4.77941
140 1X7D NAD 0.003544 0.40191 4.77941
141 1TE2 PGA 0.04165 0.40146 4.86726
142 1RKX NAD 0.000000008652 0.602 5.14706
143 1EQ2 NAP 0.0000002472 0.55581 5.14706
144 4OOE NDP 0.0006243 0.43706 5.14706
145 3GFB NAD 0.0009373 0.427 5.14706
146 5X20 NAD 0.001934 0.42057 5.14706
147 1BC5 SAH 0.006646 0.40439 5.14706
148 1KYZ SAH 0.01715 0.40117 5.14706
149 3BXO SAM 0.0214 0.40315 5.43933
150 1GUZ NAD 0.0001803 0.45142 5.48387
151 4GLL NAD 0.000000005048 0.60115 5.51471
152 4N9Z V3L 0.001259 0.46217 5.51471
153 3O7W SAM 0.00163 0.45718 5.51471
154 2UYQ SAM 0.01172 0.43627 5.51471
155 1TI7 NAP 0.003593 0.42194 5.51471
156 1OMO NAD 0.002747 0.41738 5.51471
157 2GZ3 NAP 0.0004599 0.41624 5.51471
158 2VUT NAD 0.004911 0.41604 5.51471
159 4N49 SAM 0.00503 0.41559 5.51471
160 1Y8Q ATP 0.005817 0.40399 5.51471
161 5JGL SAM 0.01562 0.40306 5.51471
162 4QTU SAM 0.003117 0.42807 5.76923
163 3L9W AMP 0.0008443 0.41835 5.81114
164 3L9W GSH 0.002701 0.40642 5.81114
165 5FTW SAH 0.007693 0.40756 5.85938
166 2F1K NAP 0.00009816 0.46887 5.88235
167 1YS4 NAP 0.0007905 0.44672 5.88235
168 1VM6 NAD 0.0005513 0.44254 5.88235
169 4CJX NAP 0.001718 0.42265 5.88235
170 2YVJ NAI 0.006786 0.41638 5.88235
171 5H81 NAP 0.004887 0.413 5.88235
172 5DN9 NAD 0.0007461 0.41261 5.88235
173 1ZMD NAI 0.004338 0.40641 5.90717
174 1O8B ABF 0.02073 0.41502 5.93607
175 5BW4 SAM 0.007005 0.4192 5.99251
176 3W9F I3P 0.02736 0.40898 6.15385
177 3KIH GDL 0.03497 0.40706 6.18557
178 4OBW SAM 0.006939 0.40951 6.22568
179 2PV7 NAD 0.0001397 0.45916 6.25
180 3VPH NAD 0.00003459 0.45727 6.25
181 5JJR SAH 0.002541 0.43568 6.25
182 1N7G GDR 0.0000003375 0.43311 6.25
183 1SQF SAM 0.003856 0.42749 6.25
184 4RQU NAD 0.001134 0.42085 6.25
185 3VPH OXM 0.0002793 0.41914 6.25
186 1N7G NDP 0.0000002465 0.40434 6.25
187 2O4C NAD 0.001861 0.41132 6.31579
188 1LSS NAD 0.0008088 0.45007 6.42857
189 1PL6 NAD 0.0002482 0.47234 6.61765
190 4C4A SAH 0.001203 0.44639 6.61765
191 1PL6 572 0.001554 0.40434 6.61765
192 4IDC 1XX 0.004015 0.40119 6.61765
193 4IDC NDP 0.004015 0.40119 6.61765
194 4FZV SAM 0.002333 0.43009 6.69456
195 1TZD ADP 0.04249 0.41003 6.90909
196 3OFK SAH 0.003878 0.41728 6.94444
197 2CDU ADP 0.000845 0.46161 6.98529
198 3KB6 NAD 0.001441 0.41972 6.98529
199 2YX1 SFG 0.01339 0.41303 6.98529
200 5AX9 4KT 0.01897 0.40233 6.98529
201 3DUW SAH 0.002842 0.42985 7.17489
202 2FR1 NDP 0.000000001346 0.62214 7.20165
203 3EGI ADP 0.03396 0.40775 7.28155
204 3N7S 3N7 0.03138 0.40968 7.29167
205 4U7W NDP 0.0000000008518 0.6621 7.35294
206 3LU1 NAD 0.000000001466 0.63959 7.35294
207 4WOE 3S5 0.0246 0.41806 7.35294
208 3JV7 NAD 0.003327 0.40044 7.35294
209 3WV8 ATP 0.000367 0.46921 7.72059
210 3OJO NAD 0.0007329 0.44446 7.72059
211 1HYH NAD 0.000187 0.44251 7.72059
212 4GKV NAD 0.0001575 0.43125 7.72059
213 5N2I NAP 0.003075 0.42488 7.72059
214 1V59 NAD 0.01065 0.42168 7.72059
215 3GWZ SAH 0.009637 0.41627 7.72059
216 3S5W FAD 0.001341 0.41145 7.72059
217 5TUK FAD 0.003605 0.40421 7.72059
218 3TLJ SAH 0.007682 0.40176 7.72059
219 4NEC SAH 0.0098 0.41593 7.95455
220 4ZRN NAD 0.000000002349 0.59602 8.08823
221 1GY8 NAD 0.00000006158 0.57046 8.08823
222 4ZNO SUC 0.001955 0.48066 8.08823
223 4ZRN UPG 0.00000003101 0.47922 8.08823
224 3H8V ATP 0.0003901 0.47245 8.08823
225 5JAQ NAI 0.000002861 0.46565 8.08823
226 3A06 NDP 0.0004675 0.41471 8.08823
227 3A06 FOM 0.0004975 0.40621 8.08823
228 5MPT SAH 0.001774 0.44273 8.45588
229 4BTV RB3 0.03844 0.40457 8.45588
230 5KKA 6V0 0.00007117 0.45288 8.82353
231 1MUU NAD 0.0007984 0.43606 8.82353
232 3VSE SAH 0.008161 0.4274 8.82353
233 2Q0L NAP 0.01812 0.40328 8.82353
234 4OKD GLC GLC GLC 0.04268 0.40024 8.82353
235 1P77 ATR 0.001472 0.48036 9.19118
236 1MV8 NAD 0.0004573 0.44241 9.19118
237 3CIF NAD 0.0003723 0.43339 9.19118
238 3G2O SAM 0.005819 0.4194 9.19118
239 3CIF G3H 0.002599 0.41085 9.19118
240 5UAV NDP 0.0007925 0.40202 9.19118
241 5UAV TFB 0.0007925 0.40202 9.19118
242 1WDK NAD 0.0004798 0.45215 9.23077
243 3G89 SAM 0.008661 0.42219 9.23695
244 3T7S SAM 0.005384 0.42093 9.32836
245 4J1Q NDP 0.00000001469 0.59135 9.55882
246 5N53 8NB 0.04226 0.40326 9.55882
247 2NUO BGC 0.00426 0.4529 9.83607
248 2Q46 NAP 0.000000006152 0.62232 9.88142
249 1JAY NAP 0.007089 0.4061 9.90566
250 1CER NAD 0.0002295 0.45427 9.92647
251 4II2 ATP 0.002993 0.42539 9.92647
252 5L95 AMP 0.0004756 0.46423 10
253 2X6T NAP 0.00000007066 0.57627 10.2941
254 4PIV NDP 0.000000049 0.5741 10.2941
255 1UP7 NAD 0.001795 0.42187 10.2941
256 1NYT NAP 0.002145 0.41876 10.3321
257 3C3Y SAH 0.01147 0.40294 10.5485
258 2EV9 NAP 0.001264 0.40785 10.6464
259 2EV9 SKM 0.001264 0.40785 10.6464
260 2YY7 NAD 0.00000005636 0.57205 10.6618
261 4D79 ATP 0.0004266 0.4707 10.6618
262 1OC2 TDX 0.0000001348 0.44438 10.6618
263 1OC2 NAD 0.0000001348 0.44438 10.6618
264 5F8F SFG 0.003801 0.43536 10.6618
265 4KFU ACP 0.04506 0.40013 10.8491
266 2F5Z FAD 0.00615 0.40453 10.9375
267 3MJE NDP 0.00000000009352 0.68456 11.0294
268 2GCG NDP 0.001873 0.40984 11.0294
269 1EJ0 SAM 0.0004141 0.47129 11.3971
270 4M00 SUC 0.02549 0.40503 11.3971
271 4JBI NDP 0.005246 0.40308 11.3971
272 1DCP HBI 0.01497 0.42242 11.5385
273 5HWK BEZ 0.04242 0.40287 11.6667
274 5MSO NAP 0.000000002142 0.65341 11.7647
275 2PZM UDP 0.0000006312 0.56269 11.7647
276 2PZM NAD 0.0000006312 0.56269 11.7647
277 2EXX NAP 0.0000124 0.47082 11.7647
278 3X0D SAH 0.004678 0.42025 11.7647
279 3RZ3 U94 0.006411 0.4285 12.0219
280 2C29 NAP 0.0000007699 0.46625 12.1324
281 1KEW TYD 0.0000001959 0.45674 12.1324
282 2C29 DQH 0.000002233 0.45158 12.1324
283 1KEW NAD 0.0000002766 0.45085 12.1324
284 2DFV NAD 0.0005477 0.43608 12.1324
285 2HIM ASP 0.01719 0.42356 12.1324
286 2VYN NAD 0.002959 0.40491 12.1324
287 4TXI FAD 0.0003182 0.42948 12.5
288 2BRY FAD 0.0004241 0.42095 12.5
289 2JJQ SAH 0.007896 0.42413 12.8676
290 2Q1W NAD 0.00000001651 0.57601 13.9706
291 4EUE NAI 0.0000002384 0.54167 13.9706
292 1LLU NAD 0.001173 0.40154 13.9706
293 1EBF NAD 0.0002069 0.42955 14.3382
294 1J49 NAD 0.00212 0.41046 14.7059
295 4HXY NDP 0.000000000161 0.66518 14.8402
296 1DJN ADP 0.006288 0.4054 15.0735
297 1O94 ADP 0.006478 0.40207 15.0735
298 1X14 NAD 0.004359 0.42873 15.8088
299 2Y6Q FAD 0.0004374 0.42438 15.8088
300 2OOR NAD 0.007231 0.40573 16.092
301 4J36 FAD 0.001443 0.40192 16.1765
302 5L4S NAP 0.000000001162 0.58278 17.2794
303 5L4S 6KX 0.000000001162 0.58278 17.2794
304 2HK9 ATR 0.0008322 0.48168 18.0147
305 2HK9 NAP 0.0007115 0.43481 18.0147
306 3O26 NDP 0.00000000002208 0.70815 18.3824
307 5TH5 MET 0.006129 0.45019 18.3824
308 4JLS 3ZE 0.02436 0.41712 18.4211
309 1EK6 NAI 0.00000005404 0.45681 18.75
310 1EK6 UPG 0.0000001516 0.43996 18.75
311 3QV1 NAD 0.000296 0.45343 19.5122
312 3LKZ SFG 0.005071 0.4187 20.2206
313 3DMH SAM 0.009379 0.4038 20.2206
314 3DMH GMP 0.003875 0.40299 20.2206
315 4RDH AMP 0.002296 0.44569 20.5882
316 4RDI ATP 0.005786 0.41951 20.5882
317 4R5M NAP 0.0005614 0.43255 21.3235
318 4R5M 4NO 0.0008084 0.41935 21.3235
319 3RJ5 NAD 0.000000001414 0.57536 23.2283
320 1N5D NDP 0.0000000005206 0.64616 29.4118
321 5DOZ NDP 0.002805 0.40323 29.7794
322 4J7U NAP 0.0000000001716 0.5718 30.8824
323 4J7U YTZ 0.0000000001716 0.5718 30.8824
324 1GZ6 NAI 0.00000000207 0.62416 32.3529
325 1WMA AB3 0.000000001027 0.54454 32.7206
326 1WMA NDP 0.000000001027 0.54454 32.7206
327 4K26 NDP 0.000000000007247 0.71389 33.8235
328 4K26 SFF 0.0000000000363 0.61163 33.8235
329 2BD0 NAP 0.0000000000008008 0.73604 34.1912
330 1ZBQ NAD 0.0000000005023 0.63642 35.6618
331 1Z6Z NAP 0.00000000008333 0.68645 36.3971
332 3ORF NAD 0.0000001806 0.56616 37.0518
333 1FK8 NAD 0.0000000000436 0.72872 37.7432
334 5L53 NAP 0.0000000002708 0.72197 37.8676
335 2GDZ NAD 0.00001477 0.52745 38.9706
336 3CH6 311 0.00000000007746 0.49235 38.9706
337 3CH6 NAP 0.00000000007746 0.49235 38.9706
338 2DKN NAI 0.000000000001661 0.75884 39.3382
339 3H4V DVP 0.0000000003138 0.56463 41.1765
340 3H4V NAP 0.00000000103 0.55614 41.1765
341 1U7T NAD 0.00000000001079 0.73593 42.6471
342 1XSE NDP 0.000000000002465 0.63816 42.6471
343 1U7T TDT 0.00000000002789 0.60177 42.6471
344 1W73 NAP 0.0000000000159 0.75535 43.3824
345 1W8D NAP 0.00000000001735 0.7538 43.3824
346 4FC7 COA 0.0000000005074 0.55806 43.3824
347 4FC7 NAP 0.0000000005074 0.55806 43.3824
348 1E3W NAD 0.000000000003928 0.73636 44.4853
349 1E6W NAD 0.00000000001781 0.71166 44.4853
350 1XKQ NDP 0.00000000001519 0.68043 44.8529
351 2WD7 NAP 0.0000000001686 0.68208 45.1493
352 2WD7 VGD 0.01336 0.433 45.1493
353 1W6U NAP 0.00000000002973 0.7442 45.5882
354 3QWI NAP 0.000000000002317 0.72004 45.9259
355 3QWI CUE 0.000000000008809 0.61552 45.9259
356 1H5Q NAP 0.0000000000003643 0.76162 46.0377
357 2CFC NAD 0.000000000006967 0.73502 47.4265
358 1UZN NAP 0.0003596 0.44649 47.4265
359 2ZAT NAP 0.0000000001388 0.67811 47.6923
360 1AE1 NAP 0.00000000000003597 0.82276 47.7941
361 1YXM ADE 0.000002994 0.62214 47.7941
362 3D3W NAP 0.000000000005986 0.69448 48.3607
363 1PR9 NAP 0.000006495 0.54762 48.3607
364 5ITV NAI 0.0000000000006743 0.75183 48.5294
365 3WXB NDP 0.00000000002541 0.69395 48.5294
366 3VZS NAP 0.0000000001042 0.56745 49.0272
367 3VZS CAA 0.000000001502 0.4576 49.0272
368 4QED NAP 0.000000000002743 0.74222 49.6324
Pocket No.: 2; Query (leader) PDB : 5THQ; Ligand: NDP; 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: 5thq.bio2) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5THQ; Ligand: NDP; 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: 5thq.bio2) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5THQ; Ligand: NDP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5thq.bio2) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5THQ; Ligand: NDP; Similar sites found: 33
This union binding pocket(no: 5) in the query (biounit: 5thq.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1RL4 BL5 0.01225 0.40712 1.59574
2 4Z7X 3CX 0.02447 0.41636 2.52101
3 1UKG MMA 0.02014 0.41914 2.94118
4 1Q8Q MAN MMA 0.02507 0.41619 2.94118
5 2PHU MAN MAN 0.04458 0.40413 2.94118
6 5EE7 5MV 0.04547 0.40157 2.94118
7 2GNM MAN 0.04693 0.40076 2.94118
8 1LK7 DER 0.02315 0.40494 3.05677
9 5KF6 TFB 0.01419 0.41653 3.30882
10 1QPR PHT 0.04541 0.40181 3.30882
11 4IF4 BEF 0.02726 0.40623 3.36538
12 1PSC EBP 0.01957 0.41419 3.67647
13 2VHW NAI 0.000811 0.40024 3.67647
14 4XYB NDP 0.001347 0.40011 3.67647
15 3M89 GSP 0.01602 0.41289 4.41176
16 1XK5 TPG 0.03249 0.40855 4.77941
17 2J5V RGP 0.02597 0.41279 5.14706
18 2WPF WPF 0.03214 0.40178 5.14706
19 4UY1 TJM 0.02289 0.40519 5.34351
20 5LUB 3Y7 0.01183 0.42982 5.88235
21 5DNK SAH 0.01956 0.41234 5.88235
22 3PT9 SAH 0.01326 0.40318 5.88235
23 1SC6 NAD 0.001819 0.4023 5.88235
24 5K7U SAM 0.01511 0.4006 6.22222
25 4FBL SPD 0.02302 0.41264 6.25
26 4JYM KKN 0.02867 0.40243 6.2963
27 5GM1 SAH 0.008183 0.40061 6.98529
28 2WPB ZZI 0.02775 0.41247 7.35294
29 5HW4 SAM 0.0103 0.40203 8.06452
30 3KIF GDL 0.04426 0.40153 8.49057
31 3V2U GLA 0.01644 0.41234 10.6618
32 2HIM ASN 0.02406 0.41377 12.1324
33 1YB5 NAP 0.0006792 0.41048 18.75
Pocket No.: 6; Query (leader) PDB : 5THQ; Ligand: NDP; 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: 5thq.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 5THQ; Ligand: NDP; 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: 5thq.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 5THQ; Ligand: NDP; 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: 5thq.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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