Receptor
PDB id Resolution Class Description Source Keywords
3SJU 2.4 Å EC: 1.-.-.- HEDAMYCIN POLYKETIDE KETOREDUCTASE BOUND TO NADPH STREPTOMYCES GRISEORUBER SHORT-CHAIN DEHYDROGENASE REDUCTASE OXIDOREDUCTASE ROSSMATYPE II POLYKETIDE KETOREDUCTASE
Ref.: STRUCTURAL AND BIOCHEMICAL STUDIES OF THE HEDAMYCIN POLYKETIDE KETOREDUCTASE (HEDKR): MOLECULAR BASIS O AND REGIOSPECIFICITIES. BIOCHEMISTRY V. 50 7426 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDP A:301;
B:301;
Valid;
Valid;
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
3SJU 2.4 Å EC: 1.-.-.- HEDAMYCIN POLYKETIDE KETOREDUCTASE BOUND TO NADPH STREPTOMYCES GRISEORUBER SHORT-CHAIN DEHYDROGENASE REDUCTASE OXIDOREDUCTASE ROSSMATYPE II POLYKETIDE KETOREDUCTASE
Ref.: STRUCTURAL AND BIOCHEMICAL STUDIES OF THE HEDAMYCIN POLYKETIDE KETOREDUCTASE (HEDKR): MOLECULAR BASIS O AND REGIOSPECIFICITIES. BIOCHEMISTRY V. 50 7426 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 3SJU - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 3SJU - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 1X7H - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
3 1X7G - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
4 2RH4 Ki = 15 uM EMO C15 H10 O5 Cc1cc2c(c(....
5 1W4Z - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
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+]....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 3SJU - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
2 1X7H - 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 : 3SJU; Ligand: NDP; Similar sites found: 396
This union binding pocket(no: 1) in the query (biounit: 3sju.bio3) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1EK6 NAI 0.0000004876 0.57426 1.79211
2 1EK6 UPG 0.000002021 0.55173 1.79211
3 3I6I NDP 0.00002404 0.48973 1.79211
4 1Z45 NAD 0.003184 0.42786 1.79211
5 4U8P FDA 0.007248 0.41507 1.79211
6 4U8P UDP 0.007751 0.41507 1.79211
7 4TXI FAD 0.001447 0.41414 1.79211
8 4OPC PGT 0.02207 0.40949 1.79211
9 4OPC FDA 0.01958 0.40893 1.79211
10 2R4J FAD 0.009311 0.40177 1.79211
11 2R4J 13P 0.009311 0.40177 1.79211
12 2BKA NDP 0.001754 0.43707 2.06612
13 1ORR NAD 0.00000001567 0.60187 2.15054
14 1OC2 TDX 0.0000008741 0.56641 2.15054
15 1OC2 NAD 0.0000008741 0.56641 2.15054
16 2I3G NAP 0.00006976 0.46178 2.15054
17 5KKA 6V0 0.0001181 0.45481 2.15054
18 2F1K NAP 0.00006421 0.45098 2.15054
19 3KO8 NAD 0.001042 0.45057 2.15054
20 1V35 NAI 0.003903 0.43685 2.15054
21 3WQQ IB3 0.001403 0.42529 2.15054
22 3WQQ NDP 0.001403 0.42529 2.15054
23 4KP7 NAP 0.003556 0.41519 2.15054
24 2VVM FAD 0.002439 0.41494 2.15054
25 2DFV NAD 0.0007743 0.41381 2.15054
26 3AYI FAD 0.005451 0.41111 2.15054
27 3AYI HCI 0.005834 0.4107 2.15054
28 4KP7 1UQ 0.003796 0.41045 2.15054
29 1X87 NAD 0.0004377 0.40669 2.15054
30 1P0F NAP 0.002333 0.40639 2.15054
31 2NPX NAD 0.01158 0.40153 2.15054
32 2NPX FAD 0.004764 0.40057 2.15054
33 5KMS NAD 0.01241 0.40031 2.15054
34 5MW4 5JU 0.005895 0.40011 2.15054
35 4J4H NAI 0.003978 0.41239 2.3166
36 4J4H 1J1 0.003978 0.41239 2.3166
37 4JK3 NAD 0.0009604 0.40739 2.3166
38 2VDV SAM 0.001621 0.45869 2.43902
39 1R6D DAU 0.001815 0.46037 2.50896
40 1R6D NAD 0.001895 0.46037 2.50896
41 1LDN NAD 0.0002834 0.43914 2.50896
42 4L8V NAP 0.0005265 0.42557 2.50896
43 1H82 GZZ 0.00337 0.42548 2.50896
44 1H82 FAD 0.002796 0.4251 2.50896
45 2VYN NAD 0.0008937 0.41461 2.50896
46 1U3U BNF 0.002879 0.41417 2.50896
47 1U3U NAD 0.002879 0.41417 2.50896
48 1MO9 FAD 0.01092 0.41328 2.50896
49 3NYC FAD 0.00473 0.41278 2.50896
50 3NYC IAR 0.00473 0.41278 2.50896
51 1U1I NAD 0.002044 0.41108 2.50896
52 1WP4 NDP 0.0009737 0.4107 2.50896
53 2JB2 PHE 0.004816 0.40351 2.50896
54 1Q9I TEO 0.01016 0.40315 2.50896
55 1Q9I FAD 0.01016 0.40315 2.50896
56 5LD5 NAD 0.0006231 0.40311 2.50896
57 1MO9 KPC 0.0215 0.40128 2.50896
58 2Q46 NAP 0.0000000404 0.57209 2.7668
59 1Y1P NMN AMP PO4 0.000001433 0.49347 2.86738
60 1E5Q NDP 0.0001181 0.44612 2.86738
61 4XQC NAD 0.0005642 0.44278 2.86738
62 4XQC 13D 0.0006371 0.44176 2.86738
63 1EZ4 NAD 0.00009352 0.44124 2.86738
64 3VPH OXM 0.0004724 0.43639 2.86738
65 3VPH NAD 0.0005615 0.4309 2.86738
66 3O9Z NAD 0.001282 0.43084 2.86738
67 2JHF NAD 0.01248 0.42767 2.86738
68 1M2W NAD 0.002195 0.42591 2.86738
69 3O9Z AKG 0.002209 0.4206 2.86738
70 1V59 FAD 0.002967 0.41651 2.86738
71 4ZCC NAI 0.005062 0.4116 2.86738
72 4ZCC FAD 0.005062 0.4116 2.86738
73 3L9W AMP 0.001716 0.41004 2.86738
74 1CF2 NAP 0.00107 0.4047 2.86738
75 1YB5 NAP 0.003584 0.40187 2.86738
76 2PD4 DCN 0.00000006417 0.58284 2.90909
77 2PD4 NAD 0.00000006575 0.58244 2.90909
78 2BRY FAD 0.001923 0.41082 3.01811
79 3ABI NAD 0.000009058 0.4904 3.22581
80 4OOE NDP 0.0005438 0.46631 3.22581
81 4OOE FOM 0.0005438 0.46631 3.22581
82 1UWK NAD 0.0005178 0.44631 3.22581
83 1UWK URO 0.0005178 0.44631 3.22581
84 1YS4 NAP 0.00009772 0.42549 3.22581
85 2CDU FAD 0.001367 0.42013 3.22581
86 5EZ7 FAD 0.002369 0.41437 3.22581
87 2VHW NAI 0.002003 0.41381 3.22581
88 4JDR FAD 0.002948 0.41278 3.22581
89 4DSG UDP 0.008711 0.40793 3.22581
90 4DSG FAD 0.008711 0.40793 3.22581
91 2XVE FAD 0.009422 0.40654 3.22581
92 4D3F NAP 0.0003589 0.4063 3.22581
93 3E1T FAD 0.005602 0.40384 3.22581
94 1E3I CXF 0.0007708 0.40353 3.22581
95 3NTA FAD 0.004275 0.40345 3.22581
96 2CDC XYP 0.01366 0.40245 3.22581
97 2CDC NAP 0.0156 0.40007 3.22581
98 2CDC XYS 0.0156 0.40007 3.22581
99 1NNU TCT 0.006711 0.45061 3.49345
100 1NNU NAD 0.006817 0.45029 3.49345
101 1I2B USQ 0.005957 0.43916 3.58423
102 1I2B UPG 0.005957 0.43916 3.58423
103 1I2B NAD 0.005957 0.43916 3.58423
104 3WGT QSC 0.00202 0.42581 3.58423
105 3WGT FAD 0.001918 0.42581 3.58423
106 2PV7 NAD 0.0004702 0.42227 3.58423
107 3B20 NAD 0.0002405 0.42036 3.58423
108 1E1M FAD 0.00346 0.41981 3.58423
109 1E1M NAP 0.00346 0.41981 3.58423
110 1E6E FAD 0.001605 0.41747 3.58423
111 3WLE NAD 0.001698 0.41654 3.58423
112 2VVL FAD 0.003294 0.41091 3.58423
113 3OND NAD 0.004646 0.4106 3.58423
114 3OND ADN 0.004646 0.4106 3.58423
115 3R75 PYR 0.03392 0.40972 3.58423
116 2CVQ NDP 0.00219 0.40017 3.58423
117 1HDO NAP 0.000001752 0.52674 3.8835
118 4PVD NDP 0.0000001344 0.54197 3.94265
119 5T9F TYR 0.0004772 0.43876 3.94265
120 5T9F NAP 0.0006355 0.43278 3.94265
121 1UDB UFG 0.008496 0.43006 3.94265
122 1UDB NAD 0.008496 0.43006 3.94265
123 1D1T NAD 0.0006669 0.42672 3.94265
124 1YJQ NAP 0.001656 0.41326 3.94265
125 1PL6 572 0.00219 0.40741 3.94265
126 4MIG G3F 0.005952 0.40717 3.94265
127 5T9E NAP 0.001237 0.40561 3.94265
128 5MZI FAD 0.0102 0.40445 3.94265
129 5MZI FYK 0.0106 0.40445 3.94265
130 3SQP FAD 0.04482 0.40847 3.9749
131 1PZG A3D 0.0002478 0.44963 4.30108
132 1RSG FAD 0.002011 0.42024 4.30108
133 1D4D FAD 0.00228 0.41911 4.30108
134 1YY5 FAD 0.002453 0.41882 4.30108
135 1X7D ORN 0.003913 0.40384 4.30108
136 1X7D NAD 0.00208 0.40161 4.30108
137 1C1X NAD 0.001416 0.40111 4.30108
138 4YSX FAD 0.001282 0.42573 4.48718
139 4J7U YTZ 0.000000003486 0.64432 4.6595
140 4J7U NAP 0.000000003486 0.64432 4.6595
141 4DPL NAP 0.0001823 0.44309 4.6595
142 2OBF SAH 0.00292 0.41393 4.6595
143 2OBF F83 0.00292 0.41393 4.6595
144 1MV8 NAD 0.0006927 0.41279 4.6595
145 1WVG APR 0.005815 0.41151 4.6595
146 3HAD NAD 0.005395 0.40886 4.6595
147 1QO8 FAD 0.004119 0.40811 4.6595
148 5M67 ADE 0.006164 0.40656 4.6595
149 2DBZ NAP 0.001521 0.40621 4.6595
150 2PT9 2MH 0.002867 0.40553 4.6595
151 5M67 NAD 0.006563 0.40548 4.6595
152 5M67 3D1 0.006614 0.40535 4.6595
153 1MUU NAD 0.001107 0.40527 4.6595
154 2Q7V FAD 0.005756 0.40149 4.6595
155 3B1F NAD 0.008098 0.40103 4.6595
156 1ZMD FAD 0.006946 0.40018 4.6595
157 2YY7 NAD 0.00000004596 0.58009 4.80769
158 2GZ3 NAP 0.00002333 0.50263 5.01792
159 1SB8 UD2 0.001727 0.46132 5.01792
160 1SB8 NAD 0.001605 0.45921 5.01792
161 4RSL FAD 0.0003061 0.44485 5.01792
162 1WDK NAD 0.0001396 0.42279 5.01792
163 1GPE FAD 0.005238 0.40679 5.01792
164 1GTE FAD 0.009721 0.40598 5.01792
165 1I8T FAD 0.003982 0.40568 5.01792
166 4YCA NDP 0.001292 0.40469 5.01792
167 2C5A NAD 0.00000006922 0.60825 5.37634
168 2C5A GDC 0.00000006922 0.60825 5.37634
169 2E5V FAD 0.002044 0.42095 5.37634
170 3GF4 FAD 0.01064 0.40091 5.37634
171 3GF4 UPG 0.01199 0.40091 5.37634
172 3OFK SAH 0.01438 0.40594 5.55556
173 4TQG NDP 0.0000000004291 0.64297 5.73477
174 4ZRN UPG 0.0000000414 0.61169 5.73477
175 4ZRN NAD 0.00000001344 0.6065 5.73477
176 4ZVV NAD 0.00035 0.46403 5.73477
177 4ZVV GN0 0.00035 0.46403 5.73477
178 3ZNN FAD 0.002454 0.42816 5.73477
179 3ZNN 4WL 0.002454 0.42816 5.73477
180 4MOP 2H5 0.002157 0.42724 5.73477
181 1YQZ FAD 0.006549 0.41231 5.73477
182 4RPL 3UC 0.009599 0.41001 5.73477
183 4RPL FAD 0.01221 0.40386 5.73477
184 5FI3 NAP 0.002422 0.40155 5.73477
185 4DMG SAM 0.01564 0.41463 5.85242
186 1BXK NAD 0.00000002691 0.57856 6.09319
187 5MSO NAP 0.0000000214 0.57101 6.09319
188 1KEW NAD 0.0000006268 0.56744 6.09319
189 1KEW TYD 0.0000006549 0.56543 6.09319
190 5JAQ NAI 0.000007824 0.50986 6.09319
191 5UAV TFB 0.0006599 0.43216 6.09319
192 5UAV NDP 0.0006599 0.43216 6.09319
193 2A92 NAI 0.000949 0.421 6.09319
194 4RQU NAD 0.0007181 0.41798 6.09319
195 1PS9 FAD 0.004376 0.40612 6.09319
196 1SC6 NAD 0.002395 0.40596 6.09319
197 5MBX SP5 0.008445 0.40497 6.09319
198 5MBX FAD 0.008445 0.40497 6.09319
199 1PN0 FAD 0.006977 0.4036 6.09319
200 1PN0 IPH 0.007655 0.402 6.09319
201 1NYT NAP 0.0007362 0.40897 6.27306
202 4GKV NAD 0.00008377 0.46341 6.45161
203 3RFV NAI 0.0007626 0.45029 6.45161
204 1O6Z NAD 0.00008193 0.43361 6.45161
205 1YKJ FAD 0.004964 0.41927 6.45161
206 1YKJ PHB 0.004964 0.41927 6.45161
207 1NVM NAD 0.001457 0.41268 6.45161
208 5HSA FAS 0.004578 0.40535 6.45161
209 2HK9 NAP 0.000578 0.41466 6.54545
210 2DT5 NAD 0.0003958 0.42761 6.63507
211 2EXX NAP 0.0000286 0.48101 6.81004
212 5FJN BE2 0.001545 0.42766 6.81004
213 5FJN FAD 0.001297 0.42766 6.81004
214 5JWC FAD 0.001963 0.41296 6.81004
215 2WPF FAD 0.02776 0.40107 6.81004
216 2WPF WPF 0.03183 0.40013 6.81004
217 4O1M NAD 0.000000008327 0.60267 7.16846
218 1HYH NAD 0.0003396 0.43621 7.16846
219 3NJ4 AFX 0.009873 0.42795 7.16846
220 3NJ4 NAD 0.01106 0.42576 7.16846
221 5I39 FAD 0.001406 0.42198 7.16846
222 2QRK AMP 0.002954 0.40961 7.16846
223 5BR7 FAD 0.01022 0.40574 7.16846
224 5BR7 FLC 0.01107 0.40433 7.16846
225 3MJE NDP 0.00000000004845 0.68383 7.52688
226 4U7W NDP 0.00000001565 0.58103 7.52688
227 3CMC NAD 0.001322 0.44494 7.52688
228 3A06 FOM 0.0004581 0.43819 7.52688
229 3A06 NDP 0.0004411 0.4362 7.52688
230 4R5M 4NO 0.0004115 0.43311 7.52688
231 4R5M NAP 0.000281 0.43293 7.52688
232 1E7S NAP 0.003327 0.4297 7.52688
233 5JY6 NAD 0.003044 0.41959 7.52688
234 2Q1S NAI 0.01281 0.4165 7.52688
235 2ZXI FAD 0.002446 0.41165 7.52688
236 2RGJ FAD 0.003238 0.40231 7.52688
237 2GN4 NDP 0.001756 0.50352 7.8853
238 1CER NAD 0.0001469 0.46352 7.8853
239 3CIF NAD 0.0001168 0.44634 7.8853
240 2G5C NAD 0.0001767 0.44358 7.8853
241 3CIF G3H 0.001002 0.42403 7.8853
242 2FZW NAD 0.001722 0.42387 7.8853
243 1GY8 NAD 0.0000002235 0.55454 8.24373
244 5G3U ITW 0.00337 0.41341 8.24373
245 5G3U FDA 0.003397 0.40728 8.24373
246 1V8B NAD 0.00327 0.4057 8.24373
247 2EV9 NAP 0.002133 0.40784 8.36502
248 2EV9 SKM 0.002133 0.40784 8.36502
249 2C29 NAP 0.0000006383 0.55777 8.60215
250 2C29 DQH 0.000001617 0.54202 8.60215
251 1GUZ NAD 0.00005882 0.45672 8.60215
252 3V1Y NAD 0.00009212 0.44287 8.60215
253 2D2I NAP 0.0005485 0.40524 8.60215
254 5CAE COA 0.0007603 0.40296 8.60215
255 5L95 AMP 0.0003304 0.4021 8.75
256 1UJP CIT 0.01634 0.40335 8.85609
257 1PNO NAP 0.003053 0.40072 8.88889
258 2B4R NAD 0.0002011 0.44467 8.96057
259 1LLU NAD 0.0005886 0.43147 8.96057
260 2B4R AES 0.0006224 0.42344 8.96057
261 3SSO SAH 0.004209 0.40578 8.96057
262 3QVP FAD 0.006595 0.40107 9.319
263 2FR1 NDP 0.000000006723 0.61344 9.67742
264 1JNR FAD 0.007944 0.41693 10
265 4HXY NDP 0.0000000002642 0.66342 10.0457
266 1J0X NAD 0.002179 0.41987 10.3943
267 3A4V NAD 0.00000001563 0.60806 10.7527
268 3A4V PYR 0.00000001563 0.60806 10.7527
269 5JE8 NAD 0.00103 0.43303 10.7527
270 2DC1 NAD 0.0005069 0.4206 10.7527
271 3L4S 3PG 0.00194 0.41068 10.7527
272 3L4S NAD 0.001791 0.41068 10.7527
273 3TWO NDP 0.002284 0.41047 10.7527
274 4EUE NAI 0.0000003263 0.55044 11.1111
275 3LU1 NAD 0.000000005827 0.60759 11.4695
276 5JCA FAD 0.004538 0.40647 11.9718
277 5JCA NDP 0.01033 0.40557 11.9718
278 4OHU NAD 0.000000009219 0.6461 12.1864
279 4OHU 2TK 0.000000009219 0.6461 12.1864
280 1N7G NDP 0.0000003472 0.59538 12.5448
281 4GLL NAD 0.00000002162 0.59448 12.5448
282 1N7G GDR 0.0000002146 0.591 12.5448
283 3ORF NAD 0.0000001573 0.5505 12.749
284 2Q1W NAD 0.001815 0.4406 12.9032
285 4EIP FAD 0.003613 0.41404 12.9032
286 4EIP K2C 0.003613 0.41404 12.9032
287 2Y6Q FAD 0.001401 0.41467 13.2616
288 2Y6Q I7T 0.003483 0.41467 13.2616
289 5MDH NAD 0.001071 0.40727 13.2616
290 3JV7 NAD 0.001746 0.40705 13.2616
291 4MDH NAD 0.001194 0.40568 13.2616
292 3QV1 NAD 0.0004213 0.41561 13.4146
293 5IN4 NAP 0.000003363 0.59642 13.9785
294 5IN4 6CK 0.000003289 0.59642 13.9785
295 5IN4 GDP 0.000003856 0.59241 13.9785
296 2F5Z FAD 0.005079 0.4055 14.0625
297 2ZJ1 ARJ 0.004238 0.41468 14.3369
298 2ZJ1 NAD 0.004382 0.4141 14.3369
299 1QG6 NAD 0.00000003895 0.60517 14.5594
300 1QG6 TCL 0.00000003895 0.60517 14.5594
301 5L4S 6KX 0.000000000393 0.67107 15.4122
302 5L4S NAP 0.000000000393 0.67107 15.4122
303 1RPN NDP 0.00000005461 0.5874 15.7706
304 4Q9N NAI 0.000000007532 0.60931 16.129
305 4PIV NDP 0.0000001569 0.56026 16.129
306 5UAO FAD 0.005036 0.40071 16.129
307 4J36 FAD 0.0006148 0.42942 17.2043
308 4J36 1HR 0.001309 0.42851 17.2043
309 1RKX NAD 0.000000002348 0.62813 18.638
310 4J1Q NDP 0.0000000006471 0.6303 18.9964
311 1FK8 NAD 0.000000000007881 0.67889 21.0117
312 3GGO ENO 0.00009338 0.47091 21.5054
313 3GGO NAI 0.00009338 0.47091 21.5054
314 1EQ2 NAP 0.000001415 0.52016 22.2222
315 2PZM UDP 0.000001107 0.54844 24.7312
316 2PZM NAD 0.000001107 0.54844 24.7312
317 1N5D NDP 0.000000001118 0.64011 25.8065
318 2X6T NAP 0.000001398 0.52044 26.5233
319 4K26 SFF 0.0000000001763 0.68867 30.4348
320 4K26 NDP 0.00000000005995 0.68738 30.4348
321 1GZ6 NAI 0.00000001783 0.59539 30.466
322 1OAA OAA 0.0005895 0.47413 30.888
323 3CH6 NAP 0.0000000002939 0.7136 32.8671
324 3CH6 311 0.0000000002939 0.7136 32.8671
325 1WMA AB3 0.000000002116 0.65453 33.6957
326 1WMA NDP 0.000000002116 0.65453 33.6957
327 1ZBQ NAD 0.000000002081 0.63248 34.0502
328 3RJ5 NAD 0.000000000277 0.67902 35.4331
329 1A27 NAP 0.00004671 0.50307 35.4839
330 4D42 W0I 0.00000001005 0.63755 35.8156
331 4D42 NAP 0.00000001005 0.63755 35.8156
332 2GDZ NAD 0.00001288 0.52601 36.3296
333 2BD0 NAP 0.00000000000006173 0.80168 36.4754
334 1Z6Z NAP 0.000000002312 0.62321 36.5591
335 1W8D NAP 0.000000000001652 0.6916 36.755
336 1W73 NAP 0.000000000004084 0.67971 36.755
337 2DKN NAI 0.0000000000001116 0.77127 36.9176
338 1XSE NDP 0.00000000001568 0.73132 37.6344
339 5L53 NAP 0.0000000001783 0.60917 37.6344
340 3O26 NDP 0.00000000004768 0.68462 37.9928
341 3ZV6 NAD 0.0001506 0.49731 38.7097
342 3ZV6 4HB 0.0001604 0.49731 38.7097
343 3WXB NDP 0.00000000003476 0.69618 39.4265
344 4FC7 COA 0.00000000007988 0.7081 39.7112
345 4FC7 NAP 0.00000000007988 0.7081 39.7112
346 3QWI CUE 0.000000000008879 0.74306 40
347 3QWI NAP 0.000000000002434 0.74203 40
348 5CG1 NAD BBN 0.0000002627 0.59316 40.5018
349 2WYV NAD 0.000002671 0.51104 40.9962
350 3H4V DVP 0.00000002653 0.61004 41.2186
351 3H4V NAP 0.00000005872 0.59499 41.2186
352 3OIG NAD 0.01158 0.42913 41.3534
353 3OID NDP 0.000000000008754 0.72399 41.4729
354 1G0N PHH 0.00001159 0.54493 41.5771
355 1G0N NDP 0.0000114 0.54107 41.5771
356 1XKQ NDP 0.000000000003112 0.74085 41.9355
357 1U7T TDT 0.0000000000004534 0.79313 42.5287
358 1E3W NAD 0.00000000000006206 0.78932 42.5287
359 1U7T NAD 0.0000000000001932 0.75278 42.5287
360 1W6U NAP 0.000000000002806 0.68571 42.6523
361 1E6W NAD 0.00000000000006883 0.80572 42.6923
362 3ICC NAP 0.00001754 0.52395 43.1373
363 3D3W NAP 0.000000000004691 0.73416 43.4426
364 1PR9 NAP 0.00001955 0.52364 43.4426
365 3V1U NAD 0.00007071 0.48855 43.7276
366 2VZ0 D64 0.0000001536 0.6158 44.0299
367 2VZ0 NAP 0.0000001536 0.6158 44.0299
368 2WD7 NAP 0.000000007301 0.5988 44.0299
369 1H5Q NAP 0.000000000001566 0.74625 44.5283
370 3AY6 NAI 0.000000000000409 0.78495 44.9814
371 3AY6 BGC 0.000000000002552 0.78051 44.9814
372 1ZK4 AC0 0.00007322 0.53987 45.0199
373 1ZK4 NAP 0.00007322 0.53987 45.0199
374 3AFN NAP 0.000000000001674 0.75096 45.3488
375 1XHL NDP 0.00002463 0.51785 45.5197
376 3OJF IMJ 0.00000001385 0.61931 45.5253
377 3OJF NDP 0.00000001735 0.60435 45.5253
378 2DTX BMA 0.000004633 0.5591 45.8333
379 1AE1 NAP 0.000000000002202 0.74649 46.1538
380 4QED NAP 0.00000000001202 0.70608 46.371
381 1ZEM NAD 0.00000000001209 0.68181 46.5649
382 2ZAT NAP 0.000000000007163 0.71476 46.9231
383 2WSB NAD 0.0000000000001005 0.81601 47.2441
384 2AE2 PTO 0.0000000000003491 0.79513 47.3077
385 2AE2 NAP 0.0000000000003491 0.79513 47.3077
386 1GEE NAD 0.0000000000001379 0.77667 47.5096
387 1YXM ADE 0.000000002287 0.40297 48.0287
388 2B4Q NAP 0.0001813 0.47892 48.1884
389 1VL8 NAP 0.0000000000008334 0.7317 48.3146
390 4CQM NAP 0.00000000000002953 0.80133 48.3607
391 5ITV NAI 0.0000000000003824 0.76902 48.6275
392 2CFC NAD 0.00000000000007738 0.7771 48.8
393 1NFQ NAI 0.00000000000095 0.75731 48.8462
394 3NUG NAD 0.0000000000002615 0.77516 48.9879
395 1GEG NAD 0.0000000000006851 0.75159 49.2188
396 4ZA2 NAD 0.00000000003981 0.6807 49.8024
Pocket No.: 2; Query (leader) PDB : 3SJU; 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: 3sju.bio3) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3SJU; Ligand: NDP; Similar sites found: 146
This union binding pocket(no: 3) in the query (biounit: 3sju.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3A2Y TS5 0.0005541 0.43997 1.43369
2 1M5B BN1 0.0008428 0.41708 1.52091
3 2X61 NGA GAL SIA 0.00197 0.40565 1.55039
4 3F3E LEU 0.0002318 0.41561 1.79211
5 1RYI FAD 0.003253 0.41111 1.79211
6 1GR0 NAD 0.002604 0.4071 1.79211
7 1G6O ADP 0.001724 0.40586 1.79211
8 1HDR NAD 0.00004125 0.49282 2.04918
9 2HMT NAI 0.0001605 0.42034 2.08333
10 3FPZ AHZ 0.00004673 0.47069 2.15054
11 9LDT NAD 0.00005064 0.46695 2.15054
12 9LDB NAD 0.00005591 0.46535 2.15054
13 4MP8 MLI 0.00000692 0.45947 2.15054
14 1V7R CIT 0.00891 0.4583 2.15054
15 1LDM NAD 0.00008242 0.45547 2.15054
16 1H9A NAP 0.0002105 0.44832 2.15054
17 1R37 NAD 0.002316 0.40902 2.15054
18 4MP8 NAD 0.003343 0.40646 2.15054
19 2P2V CSF 0.00162 0.40332 2.15054
20 3GE7 AFQ 0.0005009 0.40079 2.15054
21 4NAT 2W5 0.0002029 0.41727 2.5
22 4NAT ADP 0.002353 0.41633 2.5
23 1I0Z NAI 0.00005025 0.46308 2.50896
24 2YVF NAD 0.000182 0.44112 2.50896
25 2YVF FAD 0.0001712 0.44112 2.50896
26 1HYE NAP 0.0001195 0.42377 2.50896
27 3P9C SAH 0.0003134 0.40508 2.50896
28 2AQJ TRP 0.009895 0.40431 2.50896
29 2AQJ FAD 0.01028 0.40431 2.50896
30 4W6Z 8ID 0.003724 0.40355 2.50896
31 3LST SAH 0.01139 0.41767 2.86738
32 2J7T 274 0.00007304 0.41689 2.86738
33 1SAY PYR 0.002512 0.4077 2.86738
34 3SHR CMP 0.001068 0.44875 3.22581
35 1AL8 FMN 0.001064 0.40887 3.22581
36 1PGP 6PG 0.0004035 0.40742 3.22581
37 4RJK TDL 0.0002805 0.40302 3.22581
38 2XVF FAD 0.004369 0.40201 3.22581
39 3B1J NAD 0.0002992 0.435 3.58423
40 4C12 ADP 0.0008257 0.41399 3.58423
41 2DKH FAD 0.002488 0.40661 3.58423
42 2GYI HYA 0.002825 0.4051 3.58423
43 2DKH 3HB 0.00429 0.40443 3.58423
44 2RHW C0E 0.003047 0.40268 3.58423
45 3WO0 ALA 0.0006781 0.40097 3.58423
46 3WO0 ADP 0.0006781 0.40097 3.58423
47 1QF5 RPL 0.001808 0.4001 3.58423
48 1QF5 GDP 0.001808 0.4001 3.58423
49 1SJD NPG 0.001734 0.40008 3.58423
50 3FC4 EDO 0.00007296 0.44719 3.94265
51 1RM0 NAI 0.0007231 0.44061 3.94265
52 1VDC FAD 0.000194 0.4293 3.94265
53 1RM0 D6P 0.001851 0.42731 3.94265
54 3IAE D7K 0.00005009 0.42573 3.94265
55 1A5Z NAD 0.000119 0.4209 3.94265
56 2IMP NAI 0.003081 0.41136 3.94265
57 3HAZ FAD 0.000165 0.41135 3.94265
58 3DMH SAM 0.008642 0.40661 3.94265
59 3HAZ NAD 0.0001916 0.40606 3.94265
60 1PL6 NAD 0.0004241 0.40285 3.94265
61 1PEA ACM 0.0005716 0.50305 4.30108
62 1G55 SAH 0.0009695 0.45197 4.30108
63 1BW9 NAD 0.0008764 0.44625 4.30108
64 1Q0H NDP 0.001485 0.4302 4.30108
65 1Q0H FOM 0.001603 0.42703 4.30108
66 2RL1 UD1 0.0002849 0.42134 4.30108
67 1WL4 COA 0.0003188 0.41864 4.30108
68 1ZK7 FAD 0.002627 0.41859 4.30108
69 4G1V FAD 0.006509 0.40727 4.30108
70 2NLI LAC 0.002741 0.40268 4.30108
71 2YC5 6BC 0.0002142 0.41396 4.38596
72 4EA7 COA 0.001031 0.41857 4.54545
73 2PR5 FMN 0.002854 0.40989 4.54545
74 1JQ5 NAD 0.009565 0.41157 4.6595
75 2I7C AAT 0.002496 0.40657 4.6595
76 1G8S MET 0.01283 0.42303 4.78261
77 3Q3C NAD 0.0004775 0.42126 5.01672
78 4PNI KQQ 0.0007365 0.41191 5.01792
79 1HV9 UD1 0.0006927 0.40969 5.01792
80 1DXY NAD 0.00124 0.40176 5.1051
81 3E8N VRA 0.0002256 0.42197 5.37634
82 3E8N ATP 0.0002256 0.42197 5.37634
83 1E8G FCR 0.006162 0.40665 5.37634
84 1E8G FAD 0.006577 0.40665 5.37634
85 2BTO GTP 0.0001689 0.42085 5.55556
86 3S9K CIT 0.001192 0.53523 5.9322
87 1CX9 NHP 0.003596 0.40917 5.97015
88 1MXI SAH 0.0007381 0.43101 6.25
89 1J5P NAD 0.00152 0.40303 6.32411
90 3RFV 15L 0.000006755 0.48269 6.45161
91 1UXG NAD 0.00007296 0.47124 6.45161
92 1UXG FUM 0.000008331 0.45864 6.45161
93 2F2U M77 0.002305 0.43498 6.45161
94 3ULK NDP 0.00002388 0.41083 6.45161
95 1RM4 NDP 0.001503 0.40317 6.45161
96 1LTH NAD 0.00002176 0.45375 6.81004
97 1H2B NAJ 0.0005525 0.43116 7.16846
98 1DLJ NAI 0.003553 0.41692 7.16846
99 1DLJ UGA 0.003623 0.41658 7.16846
100 3UXL CFI 0.00325 0.41492 7.16846
101 2WA4 069 0.006619 0.41177 7.16846
102 3BAZ NAP 0.0003419 0.45242 7.52688
103 1GSA ADP 0.001221 0.40523 7.52688
104 1KOL NAD 0.004436 0.40066 7.52688
105 2GN4 UD1 0.000000009445 0.68606 7.8853
106 1GV0 NAD 0.00006899 0.45811 7.8853
107 3LZW NAP 0.005175 0.41576 7.8853
108 3LZW FAD 0.002208 0.41446 7.8853
109 1QJC PNS 0.00201 0.40258 8.22785
110 1T26 GBD 0.0002632 0.45348 8.24373
111 1SOW NAD 0.0001654 0.44935 8.24373
112 1T26 NAI 0.0006903 0.43831 8.24373
113 1TB4 PEJ 0.001251 0.41222 8.24373
114 1VKO NAD 0.002002 0.40887 8.24373
115 3WE0 FAD 0.004798 0.40647 8.24373
116 1GAD NAD 0.001158 0.40532 8.60215
117 3IU9 T07 0.0009318 0.41653 8.96057
118 1D6H COA 0.0004476 0.41427 8.96057
119 3K7M FAD 0.005623 0.41134 8.96057
120 3H9E NAD 0.0003078 0.42418 9.319
121 3V91 UPG 0.000846 0.41003 9.319
122 2QA1 FAD 0.003562 0.40315 9.319
123 3PVT 3HC 0.0007875 0.40033 9.319
124 4NEC SAH 0.002654 0.44407 9.4697
125 1DSS NAD 0.0002183 0.42658 9.67742
126 4R33 TRP 0.0001249 0.41776 9.67742
127 4R33 SAH 0.0001249 0.41776 9.67742
128 2V6O FAD 0.003593 0.43078 10.0358
129 2GJ3 FAD 0.004234 0.40572 10.8333
130 2Q97 ATP 0.00003682 0.40841 10.8527
131 2IXB A2G 0.001454 0.42142 11.1111
132 2IXB NAD 0.001174 0.41616 11.1111
133 3DAG FEG 0.0000726 0.40883 11.828
134 2BJK NAD 0.00233 0.40062 12.5448
135 2XK9 XK9 0.0004524 0.40339 12.9032
136 4BJZ FAD 0.0001458 0.45037 13.9785
137 4BJZ P3A 0.0001458 0.45037 13.9785
138 1HDG NAD 0.0004014 0.4496 15.0538
139 2RHQ GAX 0.001568 0.40813 15.4122
140 1D7O TCL 0.0000000006924 0.63027 16.8459
141 1D7O NAD 0.0000001299 0.57489 16.8459
142 2NCD ADP 0.001252 0.46358 18.638
143 3AD8 FAD 0.00222 0.43565 19.1919
144 3WSJ MK1 0.0007516 0.41158 23.2759
145 3HB5 NAP 0.00000000006233 0.55381 35.4839
146 3RKR NAP 0.00000008091 0.46253 44.6565
Pocket No.: 4; Query (leader) PDB : 3SJU; 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: 3sju.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3SJU; Ligand: NDP; Similar sites found: 1
This union binding pocket(no: 5) in the query (biounit: 3sju.bio2) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3AD8 PYC 0.00222 0.43565 19.1919
Pocket No.: 6; Query (leader) PDB : 3SJU; 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: 3sju.bio2) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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