Receptor
PDB id Resolution Class Description Source Keywords
1N1E 1.9 Å EC: 1.1.1.8 CRYSTAL STRUCTURE OF LEISHMANIA MEXICANA GLYCEROL-3- PHOSPHATE DEHYDROGENASE COMPLEXED WITH DHAP AND NAD LEISHMANIA MEXICANA NAD BINDING DOMAIN OXIDOREDUCTASE
Ref.: LEISHMANIA MEXICANA GLYCEROL-3-PHOSPHATE DEHYDROGENASE SHOWED CONFORMATIONAL CHANGES UPON BINDING A BI-SUBSTRATE ADDUCT J.MOL.BIOL. V. 320 335 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NDE A:400;
B:401;
Valid;
Valid;
none;
none;
submit data
831.467 C24 H32 N7 O20 P3 c1c[n...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1N1G 2.5 Å EC: 1.1.1.8 CRYSTAL STRUCTURE OF LEISHMANIA MEXICANA GLYCEROL-3-PHOSPHAT DEHYDROGENASE WITH INHIBITOR BCP LEISHMANIA MEXICANA NAD BINDING DOMAIN OXIDOREDUCTASE
Ref.: ANOMALOUS DIFFERENCES OF LIGHT ELEMENTS IN DETERMIN PRECISE BINDING MODES OF LIGANDS TO GLYCEROL-3-PHOS DEHYDROGENASE. CHEM.BIOL. V. 9 1189 2002
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1JDJ - CFP C5 H2 Cl F N4 c1[nH]c2c(....
2 1M66 - PLM C16 H32 O2 CCCCCCCCCC....
3 1N1G ic50 = 5 mM BCP C5 H2 Br Cl N4 c1[nH]c2c(....
4 1M67 - PLM C16 H32 O2 CCCCCCCCCC....
5 1N1E - NDE C24 H32 N7 O20 P3 c1c[n+](cc....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1JDJ - CFP C5 H2 Cl F N4 c1[nH]c2c(....
2 1M66 - PLM C16 H32 O2 CCCCCCCCCC....
3 1N1G ic50 = 5 mM BCP C5 H2 Br Cl N4 c1[nH]c2c(....
4 1M67 - PLM C16 H32 O2 CCCCCCCCCC....
5 1N1E - NDE C24 H32 N7 O20 P3 c1c[n+](cc....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1JDJ - CFP C5 H2 Cl F N4 c1[nH]c2c(....
2 1M66 - PLM C16 H32 O2 CCCCCCCCCC....
3 1N1G ic50 = 5 mM BCP C5 H2 Br Cl N4 c1[nH]c2c(....
4 1M67 - PLM C16 H32 O2 CCCCCCCCCC....
5 1N1E - NDE C24 H32 N7 O20 P3 c1c[n+](cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NDE; Similar ligands found: 165
No: Ligand ECFP6 Tc MDL keys Tc
1 NDE 1 1
2 NAQ 0.785714 0.935065
3 NAE 0.709924 0.96
4 NAD 0.689922 0.972603
5 ZID 0.686567 0.986301
6 A3D 0.679389 0.959459
7 NDC 0.647887 0.935065
8 NAD IBO 0.595588 0.909091
9 NAP 0.58042 0.986301
10 NXX 0.578947 0.946667
11 DND 0.578947 0.946667
12 NAJ PYZ 0.573427 0.8875
13 NA0 0.572414 0.972973
14 NHD 0.568345 0.945946
15 TAP 0.554795 0.922078
16 NFD 0.549296 0.922078
17 AMP NAD 0.537415 0.921053
18 ADP 0.521008 0.932432
19 ADP MG 0.512397 0.894737
20 A2D 0.508475 0.932432
21 BEF ADP 0.508197 0.871795
22 ADP BEF 0.508197 0.871795
23 N01 0.503401 0.945946
24 ADP PO3 0.5 0.931507
25 BA3 0.5 0.932432
26 ATP MG 0.496 0.894737
27 ATP 0.495935 0.932432
28 B4P 0.495868 0.932432
29 AP5 0.495868 0.932432
30 AQP 0.491935 0.932432
31 5FA 0.491935 0.932432
32 AN2 0.491803 0.92
33 CA0 0.487805 0.907895
34 M33 0.487805 0.894737
35 DAL AMP 0.484615 0.92
36 ADP ALF 0.484375 0.860759
37 ALF ADP 0.484375 0.860759
38 ACP 0.483871 0.907895
39 A 0.483051 0.931507
40 AMP 0.483051 0.931507
41 ADP BMA 0.481203 0.907895
42 ANP MG 0.48062 0.884615
43 ADP VO4 0.48062 0.92
44 VO4 ADP 0.48062 0.92
45 SRP 0.48062 0.896104
46 GAP 0.480315 0.907895
47 ACQ 0.480315 0.907895
48 ANP 0.480315 0.907895
49 NDO 0.480263 0.959459
50 APR 0.48 0.906667
51 AR6 0.48 0.906667
52 CNA 0.479452 0.946667
53 5AL 0.476562 0.92
54 AD9 0.47619 0.907895
55 AGS 0.47619 0.884615
56 SAP 0.47619 0.884615
57 ALF ADP 3PG 0.475524 0.851852
58 LA8 ALF 3PG 0.475524 0.851852
59 PTJ 0.474074 0.886076
60 50T 0.472 0.894737
61 TYR AMP 0.471014 0.921053
62 OAD 0.470149 0.907895
63 8QN 0.469697 0.92
64 OOB 0.469697 0.945946
65 NAJ 0.469388 0.972603
66 WAQ 0.466667 0.873418
67 PAJ 0.466165 0.851852
68 AHZ 0.464789 0.853659
69 ADX 0.464 0.819277
70 TXA 0.463235 0.896104
71 AMP MG 0.46281 0.881579
72 00A 0.462687 0.897436
73 A22 0.462121 0.945946
74 ATF 0.461538 0.896104
75 AFH 0.460993 0.851852
76 NAD BBN 0.460606 0.878049
77 3UK 0.459259 0.959459
78 ABM 0.459016 0.881579
79 AMP DBH 0.457143 0.907895
80 PRX 0.456693 0.858974
81 9SN 0.456522 0.910256
82 NJP 0.456376 0.96
83 LAD 0.455882 0.851852
84 A1R 0.455224 0.85
85 ADQ 0.455224 0.907895
86 4AD 0.455224 0.909091
87 AMO 0.455224 0.896104
88 AF3 ADP 3PG 0.455172 0.851852
89 NAD CJ3 0.45509 0.847059
90 FA5 0.453237 0.921053
91 YAP 0.453237 0.909091
92 ATP A A A 0.453237 0.945205
93 3OD 0.452555 0.907895
94 ME8 0.452555 0.831325
95 FYA 0.452555 0.894737
96 1ZZ 0.452555 0.831325
97 DLL 0.451852 0.945946
98 AHX 0.451852 0.8625
99 48N 0.451389 0.8625
100 NAX 0.448276 0.864198
101 25A 0.447761 0.958904
102 TAT 0.446154 0.896104
103 APC 0.445312 0.896104
104 A A 0.445255 0.958904
105 SON 0.444444 0.921053
106 ARG AMP 0.444444 0.843373
107 NAJ PZO 0.444444 0.886076
108 LAQ 0.444444 0.831325
109 NBP 0.443038 0.948052
110 SRA 0.442623 0.883117
111 NB8 0.442029 0.8625
112 NAD NDT 0.44 0.757895
113 AP2 0.44 0.896104
114 A12 0.44 0.896104
115 MYR AMP 0.438849 0.831325
116 25L 0.438849 0.945946
117 6V0 0.438356 0.886076
118 NAI 0.438356 0.897436
119 TYM 0.435374 0.921053
120 TXE 0.435374 0.897436
121 PR8 0.434783 0.841463
122 COD 0.434211 0.784091
123 139 0.433333 0.864198
124 BIS 0.431655 0.873418
125 LPA AMP 0.431507 0.831325
126 AR6 AR6 0.430556 0.932432
127 AU1 0.429688 0.907895
128 XAH 0.429577 0.831325
129 TXD 0.428571 0.897436
130 GTA 0.427586 0.924051
131 5SV 0.426471 0.817073
132 OMR 0.425676 0.821429
133 YLA 0.423841 0.811765
134 G3A 0.423611 0.935065
135 YLC 0.422819 0.831325
136 8ID 0.422819 0.923077
137 YLP 0.421769 0.811765
138 G5P 0.42069 0.935065
139 4UU 0.42069 0.909091
140 ADV 0.419847 0.871795
141 RBY 0.419847 0.871795
142 IOT 0.417219 0.823529
143 4UV 0.416667 0.909091
144 NAD TDB 0.416667 0.68932
145 EAD 0.416149 0.864198
146 4TA 0.415584 0.843373
147 AP0 0.413333 0.8625
148 YLB 0.413333 0.811765
149 BT5 0.412903 0.823529
150 DZD 0.412903 0.875
151 M24 0.411392 0.8875
152 UP5 0.409396 0.909091
153 PAP 0.409091 0.918919
154 MAP 0.408759 0.884615
155 P1H 0.406061 0.843373
156 ADJ 0.405229 0.821429
157 T5A 0.405229 0.833333
158 AOC 0.404762 0.789474
159 4TC 0.403974 0.886076
160 UPA 0.403974 0.897436
161 AYB 0.402597 0.802326
162 2A5 0.401515 0.858974
163 JB6 0.401408 0.873418
164 ODP 0.4 0.923077
165 4UW 0.4 0.875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1N1G; Ligand: BCP; Similar sites found: 376
This union binding pocket(no: 1) in the query (biounit: 1n1g.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3RF4 FUN 0.003125 0.44484 None
2 1TUV VK3 0.04137 0.41916 None
3 3KPE TM3 0.02828 0.41114 None
4 4WB7 ATP 0.006638 0.41439 1.0929
5 1X7D ORN 0.001873 0.40645 1.14286
6 1QDS PGA 0.003236 0.43386 1.19522
7 1LDN NAD 0.0001307 0.43281 1.26582
8 3DG6 MUC 0.002846 0.42698 1.36612
9 1GR0 NAD 0.001233 0.40786 1.36612
10 4L6C 0BT 0.003836 0.40006 1.48515
11 2IZ1 ATR 0.0005163 0.51039 1.63934
12 2Q8H TF4 0.00326 0.47807 1.63934
13 2C5S AMP 0.001263 0.45648 1.63934
14 2BH9 NAP 0.005809 0.43273 1.63934
15 1F8F NAD 0.002703 0.42105 1.63934
16 1U8X NAD 0.004067 0.41101 1.63934
17 1YQD NAP 0.003165 0.4004 1.63934
18 4CP8 MLI 0.044 0.40721 1.64271
19 2NCD ADP 0.008053 0.43167 1.91257
20 2J5V PCA 0.04221 0.42654 1.91257
21 1YKJ FAD 0.002784 0.42033 1.91257
22 1E5Q NDP 0.00195 0.41832 1.91257
23 4L7I SAM 0.006549 0.40512 1.91257
24 1XX4 BAM 0.0137 0.41857 1.91571
25 1HKU NAD 0.0004431 0.43745 1.95531
26 3WBF NAP 0.0006601 0.43673 1.96721
27 3WBF API 0.0005684 0.42779 1.96721
28 1ZK4 AC0 0.0003799 0.42981 1.99203
29 1XVA SAM 0.002317 0.41447 2.05479
30 3BAZ NAP 0.0002463 0.46389 2.1021
31 1J49 NAD 0.0002218 0.42011 2.1021
32 1DXY NAD 0.0001471 0.41777 2.1021
33 1V6A TRE 0.02635 0.42034 2.10843
34 1RHC F42 ACN 0.000249 0.41523 2.12121
35 2Y6P CTP 0.01329 0.40809 2.13675
36 1D1T NAD 0.0004673 0.4337 2.18579
37 1GQ2 NAP 0.0009093 0.43129 2.18579
38 1WDA BAG 0.004953 0.43085 2.18579
39 3O2K DST 0.006605 0.43036 2.18579
40 2Y6Q FAD 0.00088 0.42345 2.18579
41 1MO9 FAD 0.007962 0.41088 2.18579
42 1MO9 KPC 0.00859 0.41008 2.18579
43 3O2K QRP 0.01203 0.40991 2.18579
44 2Q28 ADP 0.005655 0.40062 2.18579
45 2BRY FAD 0.001686 0.40054 2.18579
46 1LTH NAD 0.0000277 0.50738 2.19436
47 2EB5 OXL 0.01676 0.42204 2.24719
48 1JAC AMG 0.007855 0.4271 2.25564
49 1UGY GLA GLC 0.006738 0.42657 2.25564
50 1UGW GAL 0.00782 0.4243 2.25564
51 1UGY GLA BGC 0.01235 0.40741 2.25564
52 3VYW SAM 0.009724 0.40899 2.27273
53 2AHR NAP 0.001633 0.41862 2.3166
54 3JV7 NAD 0.002505 0.41146 2.31884
55 3B1J NAD 0.00385 0.40426 2.35988
56 2O4C NAD 0.0003224 0.41905 2.36842
57 3KB6 NAD 0.0001767 0.46257 2.39521
58 1LJ8 NAD 0.0003362 0.46966 2.43408
59 1M2W NAD 0.000363 0.46431 2.43408
60 3FPZ AHZ 0.001851 0.40895 2.45399
61 4M5P 23W 0.001846 0.48256 2.45902
62 4M5P MLA 0.02042 0.44291 2.45902
63 3EF0 ALF 0.01996 0.42199 2.45902
64 1OBB NAD 0.003785 0.41789 2.45902
65 1KOL NAD 0.002375 0.4016 2.45902
66 1T26 GBD 0.00001516 0.48056 2.48447
67 1T26 NAI 0.0003361 0.43914 2.48447
68 3LTW HLZ 0.0234 0.4151 2.5
69 3NOJ PYR 0.02413 0.40737 2.52101
70 2YN4 39J 0.04423 0.40618 2.54237
71 3TWO NDP 0.0003641 0.42943 2.58621
72 1W73 NAP 0.008193 0.4038 2.64901
73 1W8D NAP 0.01 0.40016 2.64901
74 1Z41 FMN 0.001536 0.43309 2.66272
75 1Z44 FMN 0.002457 0.42952 2.66272
76 1EB9 HBA 0.000904 0.45174 2.67176
77 1ZJ6 G3D 0.002235 0.43573 2.6738
78 3T31 DCQ 0.002808 0.41656 2.73224
79 3T31 FAD 0.002788 0.41514 2.73224
80 2GV8 NDP 0.004861 0.41333 2.73224
81 2GVC FAD 0.0009949 0.40846 2.73224
82 2EJU SAH 0.004923 0.4062 2.73224
83 4TM3 FAD 0.008086 0.40553 2.73224
84 2XVF FAD 0.002047 0.40506 2.73224
85 1QO8 FAD 0.003003 0.4043 2.73224
86 1PGP 6PG 0.002216 0.40267 2.73224
87 2QLX RM4 0.008684 0.44165 2.77778
88 2A92 NAI 0.0005172 0.41531 2.80374
89 1PL6 572 0.0004333 0.41839 2.80899
90 3CTY FAD 0.002503 0.40914 2.82132
91 1EZ4 NAD 0.00001283 0.51222 2.83019
92 2DT5 NAD 0.00006443 0.47627 2.8436
93 4JJF FE9 0.002011 0.42054 2.90698
94 4JJF N2I 0.001864 0.41641 2.90698
95 1WGC SIA GAL BGC 0.02113 0.44207 2.92398
96 3MAG 3MA 0.002069 0.49808 2.9316
97 2F6U CIT 0.02978 0.41627 2.99145
98 3OND ADN 0.000005967 0.45951 3.00546
99 2Z9V PXM 0.00381 0.441 3.00546
100 3A1I UNU 0.002843 0.43621 3.00546
101 2WPF WPF 0.006273 0.42238 3.00546
102 2WPF FAD 0.008048 0.41659 3.00546
103 3UOY NAP 0.005404 0.41177 3.00546
104 1SC6 NAD 0.0008332 0.40908 3.00546
105 1XHC FAD 0.001881 0.40523 3.00546
106 1HDG NAD 0.008657 0.4002 3.01205
107 1CKM GTP 0.01374 0.41167 3.0303
108 4NPT 017 0.04312 0.40008 3.0303
109 2JFV FLC 0.01462 0.42488 3.09278
110 4TSK NDP 0.0002376 0.41056 3.14286
111 4L80 OXL 0.02531 0.41733 3.16092
112 3H9E NAD 0.002322 0.42086 3.17919
113 1NVM NAD 0.0009374 0.42512 3.18841
114 4MP8 MLI 0.0000008288 0.46872 3.24484
115 4MP8 NAD 0.001002 0.4162 3.24484
116 4GKV NAD 0.001498 0.40992 3.27381
117 2PP3 LGT 0.0008088 0.44863 3.27869
118 1T10 F6P 0.004477 0.4434 3.27869
119 3TFC PEP 0.005304 0.4346 3.27869
120 4RQU NAD 0.0009143 0.4312 3.27869
121 1E3I CXF 0.0005344 0.41956 3.27869
122 3SQP FAD 0.02654 0.41203 3.27869
123 4EIP K2C 0.002354 0.41198 3.27869
124 1V59 FAD 0.002761 0.4085 3.27869
125 2QA1 FAD 0.001762 0.40505 3.27869
126 4EIP FAD 0.003546 0.40355 3.27869
127 3M89 GSP 0.03193 0.40339 3.27869
128 4CCO OGA 0.03104 0.40025 3.27869
129 4PLG OXM 0.00001458 0.43573 3.29341
130 4PLG NAI 0.0002311 0.42821 3.29341
131 1P77 ATR 0.006504 0.45214 3.30882
132 5JE8 NAD 0.02069 0.41515 3.31126
133 4B9E FAH 0.02106 0.42263 3.32226
134 1H2B NAJ 0.002785 0.40244 3.34262
135 4YCA NDP 0.01891 0.40993 3.40136
136 1F1V DHY 0.01286 0.41291 3.40557
137 3UEC ALA ARG TPO LYS 0.01627 0.42818 3.42466
138 3P7I P7I 0.01224 0.4184 3.42679
139 1O9U ADZ 0.02178 0.43416 3.42857
140 3B1F NAD 0.00004598 0.50719 3.44828
141 4DEC UDP 0.0006302 0.41275 3.48837
142 4DEC 3PG 0.0006302 0.41275 3.48837
143 2OFE NAG 0.005386 0.44554 3.52113
144 3IPQ 965 0.0003406 0.41127 3.53357
145 1TFZ 869 0.0004703 0.43922 3.53774
146 1Q11 TYE 0.002092 0.45259 3.55191
147 3OJO NAD 0.00002414 0.43331 3.55191
148 4LHM AZZ 0.01554 0.4185 3.55191
149 3IAE D7K 0.0002156 0.41387 3.55191
150 2VHW NAI 0.001201 0.41219 3.55191
151 1CDO NAD 0.0002694 0.40844 3.55191
152 2E5V FAD 0.003782 0.40158 3.55191
153 4KOA NDP 0.0008437 0.46843 3.6036
154 2GLX NDP 0.0009819 0.44246 3.61446
155 4PTZ FMN 0.003089 0.4174 3.66492
156 1VI2 NAD 0.01094 0.40387 3.66667
157 1C3V NDP 0.0009027 0.42574 3.67347
158 4RJK TPP 0.0000717 0.43822 3.67776
159 4RJK PYR 0.03341 0.41812 3.67776
160 4RJK TDL 0.0002517 0.41509 3.67776
161 1U5R ATP 0.009682 0.40221 3.73563
162 1A99 PUT 0.02847 0.41625 3.77907
163 2ZWS PLM 0.00008743 0.5884 3.82514
164 3ABI NAD 0.0001372 0.46003 3.82514
165 3GTD MLI 0.004237 0.4445 3.82514
166 3DGB MUC 0.001587 0.44178 3.82514
167 1QMG APX 0.002956 0.42545 3.82514
168 2R5T ANP 0.0009376 0.42462 3.82514
169 4WVH ASP HIS ASP ALA HIS ALA 0.008209 0.42136 3.82514
170 2Q09 DI6 0.008414 0.4209 3.82514
171 4P53 NAI 0.0005736 0.41081 3.82514
172 1GET NAP 0.006907 0.40821 3.82514
173 4OYA 1VE 0.003812 0.40757 3.82514
174 1GET FAD 0.007602 0.40536 3.82514
175 2RAB NAD 0.008021 0.40444 3.82514
176 3D2Y AH0 ALA FGA LYS 0.004229 0.40862 3.83142
177 2Q37 3AL 0.01351 0.4213 3.8674
178 1XE7 GUN 0.01135 0.44926 3.94089
179 2PVQ GSH 0.002728 0.41943 3.9801
180 2JBH 5GP 0.001425 0.45421 4
181 1OMO NAD 0.0002312 0.40605 4.03727
182 2XDQ MGX 0.002815 0.48146 4.09836
183 4OB6 S2T 0.002426 0.42543 4.09836
184 2IXB NAD 0.001944 0.41312 4.09836
185 1V8B NAD 0.00175 0.40635 4.09836
186 2IXB A2G 0.0008795 0.40534 4.09836
187 3I0O ADP 0.002599 0.43785 4.12979
188 1Y9Q MED 0.003219 0.45616 4.16667
189 1M5B BN1 0.001026 0.40421 4.18251
190 3GX0 GDS 0.005217 0.40187 4.18605
191 4OHB 5HM 0.001996 0.4287 4.21053
192 1PZG A3D 0.0002452 0.42746 4.22961
193 2HJR APR 0.0001726 0.47808 4.26829
194 1XIU REA 0.002797 0.41903 4.34783
195 2PV7 NAD 0.0001011 0.47222 4.36242
196 1I2B USQ 0.004593 0.41252 4.37158
197 1I2B UPG 0.004593 0.41252 4.37158
198 4K30 NLG 0.002069 0.4528 4.375
199 3P9C SAH 0.0001442 0.41567 4.3956
200 3I51 45C 0.01548 0.40141 4.44444
201 4COQ SAN 0.004114 0.4511 4.45344
202 2DBZ NAP 0.0005581 0.40678 4.49102
203 1HYH NAD 0.00005072 0.4731 4.53074
204 1SQ5 PAU 0.0009666 0.4675 4.54545
205 1SQ5 ADP 0.005131 0.42102 4.54545
206 1KEV NDP 0.0001443 0.44665 4.5584
207 1P1M MET 0.0001012 0.45378 4.64481
208 3UCL CYH 0.004731 0.41274 4.64481
209 3UCL NAP 0.005293 0.41274 4.64481
210 1P0F NAP 0.001166 0.40312 4.64481
211 1A5Z NAD 0.00009645 0.49322 4.70219
212 1A5Z OXM 0.02647 0.42335 4.70219
213 3OA2 NAD 0.00294 0.41134 4.71698
214 3GFB NAD 0.001189 0.42963 4.85714
215 3IU9 T07 0.0004953 0.41412 4.86111
216 2WA4 069 0.00312 0.42983 4.87106
217 3QDY A2G GAL 0.004886 0.46098 4.8951
218 3QDT A2G GAL 0.005814 0.45713 4.8951
219 3QDY CBS 0.005225 0.45253 4.8951
220 1OAA OAA 0.0001254 0.41834 5.01931
221 4MDH NAD 0.005155 0.40426 5.08982
222 1GUZ NAD 0.0002224 0.41809 5.16129
223 2O66 FLC 0.02648 0.40776 5.18518
224 1FEC FAD 0.002085 0.41395 5.19126
225 1SS4 CIT 0.006174 0.45078 5.22876
226 1SS4 GSH 0.01854 0.4439 5.22876
227 3R3V FAH 0.0389 0.41092 5.22876
228 1UF5 CDT 0.01598 0.40471 5.28053
229 1ULE GLA GAL NAG 0.005651 0.45776 5.33333
230 2F1K NAP 0.0000631 0.48423 5.37634
231 2B4R NAD 0.001404 0.41847 5.46448
232 1KTC NGA 0.01821 0.41067 5.46448
233 2AQJ FAD 0.005533 0.40674 5.46448
234 2AQJ TRP 0.005302 0.40674 5.46448
235 3CGD NAD 0.01045 0.40562 5.46448
236 2B4R AES 0.004432 0.40191 5.46448
237 1GV0 NAD 0.0002317 0.42141 5.48387
238 3F8C HT1 0.02612 0.40804 5.55556
239 1CF2 NAP 0.0004331 0.40274 5.63798
240 1S8F GDP 0.0007572 0.41028 5.64972
241 3ZPG 5GP 0.03125 0.42573 5.7377
242 1ZMD NAI 0.002225 0.42454 5.7377
243 1X14 NAD 0.009353 0.41928 5.7377
244 2F2U M77 0.008937 0.41534 5.7377
245 2F5Z FAD 0.002468 0.4084 5.7377
246 1REO FAD 0.002526 0.40397 5.7377
247 4FWE FAD 0.003585 0.40244 5.7377
248 1P31 EPU 0.0187 0.40201 5.7377
249 4J4H NAI 0.00237 0.41188 5.79151
250 4J4H 1J1 0.002234 0.41 5.79151
251 3DER ALA LYS 0.003997 0.40266 5.7971
252 1C1L GAL BGC 0.006989 0.4463 5.83942
253 1A8S PPI 0.01141 0.40883 5.86081
254 2V5E SCR 0.003729 0.48393 5.94059
255 4M51 BEZ 0.009268 0.44677 6.01093
256 2FZW NAD 0.001359 0.41793 6.01093
257 2WMO GTP 0.007251 0.41087 6.01093
258 4K5S FAD 0.002347 0.40517 6.01093
259 4AKB GAL 0.01588 0.41706 6.01504
260 1FW1 GSH 0.001531 0.43766 6.01852
261 2Q0L NAP 0.005624 0.43341 6.10932
262 2JGS BTN 0.01805 0.41312 6.15385
263 3WLE NAD 0.00107 0.41399 6.15836
264 1H0C AOA 0.02355 0.42021 6.28415
265 1L8N GCW 0.001948 0.40677 6.28415
266 3KJQ B94 0.00288 0.43124 6.31579
267 2YVF NAD 0.003641 0.41513 6.55738
268 2YVF FAD 0.003727 0.41404 6.55738
269 1Y8Q ATP 0.005935 0.41251 6.55738
270 1U3U BNF 0.0004204 0.40232 6.55738
271 4KQW NAP 0.0006456 0.41821 6.57143
272 1TDF NAP 0.01192 0.40007 6.64557
273 1CER NAD 0.002083 0.42278 6.64653
274 4IXW IXW 0.0167 0.40799 6.69291
275 2B5W NAP 0.0003869 0.42849 6.72269
276 1JOT GAL A2G 0.006024 0.43386 6.76692
277 3LLZ GAL NGA 0.02486 0.41479 6.76692
278 1Y75 NAG 0.01455 0.41059 6.77966
279 1EYE PMM 0.009738 0.40966 6.78571
280 2FR6 CTN 0.0009809 0.43187 6.84932
281 4DPL NAP 0.002079 0.41458 6.96379
282 2C2A ADP 0.0009387 0.43684 6.97674
283 1O94 ADP 0.0008086 0.44599 7.10383
284 2Q46 NAP 0.003908 0.40649 7.11462
285 1UXG FUM 0.0000002273 0.48531 7.11974
286 1UXG NAD 0.0002129 0.44163 7.11974
287 3GGO NAI 0.00009963 0.45729 7.32484
288 2XVE FAD 0.002218 0.42271 7.37705
289 3QXG TLA 0.005374 0.40141 7.37705
290 2IMF GSH 0.001373 0.4085 7.38916
291 2IMF TOM 0.001373 0.4085 7.38916
292 4Q0K GA3 0.01921 0.41104 7.40741
293 3VPH NAD 0.00004077 0.46979 7.41935
294 3VPH OXM 0.00004534 0.46163 7.41935
295 4E5N NAD 0.002232 0.41084 7.57576
296 2WGC SIA GAL BGC 0.01036 0.4683 7.60234
297 3OCZ SRA 0.004211 0.41234 7.63359
298 1BZL FAD 0.004772 0.42632 7.65027
299 1KYQ NAD 0.000183 0.4996 7.66423
300 1LLU NAD 0.0008867 0.41815 7.89474
301 1LDM NAD 0.0001154 0.46291 7.90274
302 1PEA ACM 0.003599 0.46776 7.9235
303 1QO0 BMD 0.01041 0.43191 7.9235
304 1YY5 FAD 0.003542 0.40357 7.9235
305 1RSG FAD 0.00347 0.402 7.9235
306 1RZM E4P 0.00316 0.46327 7.98817
307 1RZM PEP 0.002358 0.45028 7.98817
308 2IYG FMN 0.0004154 0.46548 8.06452
309 1NYT NAP 0.005314 0.40895 8.11808
310 1T0S BML 0.007072 0.45278 8.13953
311 2G5C NAD 0.000758 0.40511 8.18505
312 3FC4 EDO 0.0001393 0.42637 8.19672
313 3I8P 840 0.009518 0.40249 8.19672
314 2CVZ NDP 0.00001714 0.50713 8.3045
315 3CF6 SP1 0.001339 0.43539 8.38323
316 1I0Z NAI 0.0002268 0.45162 8.40841
317 1QZZ SAM 0.002236 0.43113 8.46994
318 1LVL NAD 0.003975 0.42624 8.46994
319 1JNR FAD 0.01168 0.40209 8.46994
320 2RHQ GAX 0.002011 0.40962 8.5034
321 4K28 NAD 0.0007276 0.44453 8.55019
322 1ZZ7 S0H 0.01196 0.41885 8.58586
323 1NPD NAD 0.008296 0.40357 8.68056
324 1MZV AMP 0.01351 0.40779 8.93617
325 4F8L GAL 0.02659 0.44442 8.96552
326 1BW9 NAD 0.0004361 0.46475 8.98876
327 1BXG NAD 0.0003965 0.40333 8.98876
328 1C1X NAD 0.0003253 0.45541 9.01408
329 1O0S NAI 0.000104 0.48747 9.28962
330 3F81 STT 0.003431 0.4769 9.28962
331 4E28 0MZ 0.001718 0.46251 9.28962
332 4E28 9MZ 0.01646 0.42241 9.28962
333 2E1A MSE 0.001257 0.45656 9.33333
334 4J36 1HR 0.001074 0.4217 9.56284
335 4J36 FAD 0.0006369 0.41492 9.56284
336 2AG8 NAP 0.00006126 0.41049 9.88593
337 2AE2 PTO 0.0000305 0.43132 10
338 1ECM TSA 0.003982 0.43495 10.0917
339 1WP4 NDP 0.000007051 0.51822 10.3806
340 1MUU NAD 0.00003136 0.50073 10.3825
341 1MV8 NAD 0.00005421 0.43233 10.3825
342 3LAD FAD 0.003345 0.40258 10.3825
343 3V1Y NAD 0.0006539 0.44315 10.3858
344 2NU8 COA 0.00002525 0.50032 10.4167
345 4F4S EFO 0.005937 0.43242 10.5263
346 2ORV 4TA 0.0007672 0.41672 10.6838
347 1YRX FMN 0.002432 0.42969 10.7438
348 1YKF NAP 0.0002927 0.44736 10.7955
349 1DLJ NAI 0.00003173 0.41355 10.9453
350 1DLJ UGA 0.00003173 0.41294 10.9453
351 1YJQ NAP 0.00005549 0.46487 11.5512
352 1SOW NAD 0.0001173 0.43705 11.5854
353 3PLN U5P 0.001317 0.46152 11.7486
354 3KMT SAH 0.002918 0.42655 11.7647
355 2YVJ NAI 0.001831 0.44862 11.9266
356 1YOA FAD 0.003306 0.40226 11.9497
357 3JQ3 ADP 0.0106 0.41222 12.0219
358 1BTN I3P 0.000708 0.54017 12.2642
359 1E5F PLP 0.001171 0.43762 12.3762
360 2GCG NDP 0.003281 0.40947 12.4242
361 4IMG NGF 0.005826 0.40015 12.9693
362 1G8S MET 0.005477 0.44519 13.0435
363 1QD0 RR6 0.004048 0.42522 13.2812
364 1J5P NAD 0.004196 0.40782 14.2292
365 3NFZ 3NF 0.006735 0.4162 14.3731
366 9LDB NAD 0.00004687 0.4744 14.759
367 9LDT NAD 0.00005369 0.44614 14.759
368 3BY8 MLT 0.003786 0.45941 14.7887
369 1N9L FMN 0.002782 0.41529 15.5963
370 2FYU FDN 0.004245 0.40856 17.7419
371 4KCT FDP 0.003295 0.42886 21.0383
372 4KCT PYR 0.01151 0.41501 21.0383
373 4E13 NAD 0.00001284 0.43109 21.2014
374 2Y7P SAL 0.004253 0.43887 22.4771
375 1JAY NAP 0.0001692 0.48262 25.9434
376 3P3N AKG 0.006213 0.44259 30
Pocket No.: 2; Query (leader) PDB : 1N1G; Ligand: BCP; 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: 1n1g.bio1) has 5 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1N1G; Ligand: BCP; 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: 1n1g.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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