Receptor
PDB id Resolution Class Description Source Keywords
1A27 1.9 Å EC: 1.1.1.62 HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 C-TERMINAL MUTANT COMPLEXED WITH ESTRADIOL AND NADP+ HOMO SAPIENS DEHYDROGENASE 17-BETA-HYDROXYSTEROID MUTANT ESTRADIOL NA
Ref.: HUMAN TYPE I 17BETA-HYDROXYSTEROID DEHYDROGENASE: S DIRECTED MUTAGENESIS AND X-RAY CRYSTALLOGRAPHY STRUCTURE-FUNCTION ANALYSIS THESIS, UNIVERSITE JOSEPH 1997 FOURIER
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EST A:350;
Valid;
none;
submit data
272.382 C18 H24 O2 CC12C...
NAP A:360;
Valid;
none;
submit data
743.405 C21 H28 N7 O17 P3 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1A27 1.9 Å EC: 1.1.1.62 HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 C-TERMINAL MUTANT COMPLEXED WITH ESTRADIOL AND NADP+ HOMO SAPIENS DEHYDROGENASE 17-BETA-HYDROXYSTEROID MUTANT ESTRADIOL NA
Ref.: HUMAN TYPE I 17BETA-HYDROXYSTEROID DEHYDROGENASE: S DIRECTED MUTAGENESIS AND X-RAY CRYSTALLOGRAPHY STRUCTURE-FUNCTION ANALYSIS THESIS, UNIVERSITE JOSEPH 1997 FOURIER
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1A27 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3HB5 Ki = 0.9 nM E2B C26 H31 N O3 CC12CCC3c4....
2 3HB4 - E2B C26 H31 N O3 CC12CCC3c4....
3 1JTV - TES C19 H28 O2 CC12CCC3C(....
4 1I5R Ki = 3 nM HYC C37 H51 N5 O7 CC12CCC3c4....
5 1QYX - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 1IOL - EST C18 H24 O2 CC12CCC3c4....
7 1FDT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 1DHT - DHT C19 H30 O2 CC12CCC(=O....
9 1QYW - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
10 3KLM - DHT C19 H30 O2 CC12CCC(=O....
11 1QYV - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
12 1FDS - EST C18 H24 O2 CC12CCC3c4....
13 1A27 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3HB5 Ki = 0.9 nM E2B C26 H31 N O3 CC12CCC3c4....
2 3HB4 - E2B C26 H31 N O3 CC12CCC3c4....
3 1JTV - TES C19 H28 O2 CC12CCC3C(....
4 1I5R Ki = 3 nM HYC C37 H51 N5 O7 CC12CCC3c4....
5 1QYX - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
6 1IOL - EST C18 H24 O2 CC12CCC3c4....
7 1FDT - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
8 1DHT - DHT C19 H30 O2 CC12CCC(=O....
9 1QYW - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
10 3KLM - DHT C19 H30 O2 CC12CCC(=O....
11 1QYV - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
12 1FDS - EST C18 H24 O2 CC12CCC3c4....
13 1A27 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EST; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 EST 1 1
2 ECS 0.626866 0.916667
3 ESL 0.614286 0.916667
4 ESZ 0.597222 0.837838
5 ESM 0.597222 0.868421
6 HE7 0.547619 0.846154
7 E2B 0.467391 0.688889
8 EED 0.451219 0.785714
9 EZT 0.412371 0.825
Ligand no: 2; Ligand: NAP; Similar ligands found: 114
No: Ligand ECFP6 Tc MDL keys Tc
1 NAP 1 1
2 NA0 0.881356 0.986301
3 TAP 0.872881 0.934211
4 NDO 0.840336 0.972603
5 NAD 0.811966 0.986111
6 N01 0.733871 0.958904
7 A3D 0.712 0.972603
8 NBP 0.707692 0.935065
9 NAD IBO 0.688 0.921053
10 NHD 0.68254 0.958904
11 NJP 0.661417 0.972973
12 NAJ PYZ 0.659091 0.898734
13 NFD 0.658915 0.934211
14 DND 0.619048 0.959459
15 NXX 0.619048 0.959459
16 ZID 0.605839 0.972603
17 NAQ 0.59854 0.922078
18 ATR 0.59292 0.917808
19 NAE 0.591241 0.946667
20 NDE 0.58042 0.986301
21 A22 0.571429 0.958904
22 AMP NAD 0.571429 0.933333
23 NAJ 0.567164 0.986111
24 A2R 0.563025 0.932432
25 NDC 0.561644 0.922078
26 NA7 0.552846 0.907895
27 ODP 0.551471 0.935065
28 A2P 0.539823 0.930556
29 8ID 0.537313 0.910256
30 NPW 0.525547 0.8875
31 NZQ 0.521739 0.910256
32 CNA 0.521739 0.959459
33 NDP 0.514493 0.922078
34 PO4 PO4 A A A A PO4 0.503937 0.930556
35 1DG 0.503401 0.922078
36 DG1 0.503401 0.922078
37 NAD TDB 0.5 0.696078
38 TXP 0.5 0.922078
39 NMN AMP PO4 0.492958 0.921053
40 25L 0.492308 0.958904
41 25A 0.492063 0.972222
42 NAD NDT 0.490909 0.747368
43 NMN 0.486726 0.888889
44 NGD 0.485714 0.935065
45 2AM 0.477876 0.891892
46 ADP 0.458333 0.945205
47 PAP 0.451613 0.931507
48 ADP MG 0.45082 0.906667
49 ADP BEF 0.447154 0.883117
50 BEF ADP 0.447154 0.883117
51 A2D 0.445378 0.945205
52 SAP 0.44 0.896104
53 AGS 0.44 0.896104
54 ADP PO3 0.44 0.944444
55 M33 0.439024 0.906667
56 AR6 AR6 0.438849 0.945205
57 BA3 0.438017 0.945205
58 ATP MG 0.436508 0.906667
59 ADP BMA 0.43609 0.92
60 OAD 0.43609 0.92
61 ATP 0.435484 0.945205
62 B4P 0.434426 0.945205
63 AP5 0.434426 0.945205
64 GAP 0.433071 0.92
65 0WD 0.432432 0.922078
66 2A5 0.432 0.87013
67 5FA 0.432 0.945205
68 AQP 0.432 0.945205
69 00A 0.428571 0.909091
70 CA0 0.427419 0.92
71 ADP ALF 0.426357 0.871795
72 ALF ADP 0.426357 0.871795
73 ACP 0.424 0.92
74 NAJ PZO 0.423841 0.897436
75 ADP VO4 0.423077 0.932432
76 ANP MG 0.423077 0.896104
77 V3L 0.421875 0.945205
78 ACQ 0.421875 0.92
79 ADQ 0.421053 0.92
80 APR 0.420635 0.918919
81 AR6 0.420635 0.918919
82 ATP A A A 0.42029 0.958333
83 CO7 0.419753 0.786517
84 1ZZ 0.419118 0.841463
85 3OD 0.419118 0.92
86 DLL 0.41791 0.958904
87 AD9 0.417323 0.92
88 OVE 0.416667 0.857143
89 NAX 0.416667 0.875
90 MYR AMP 0.416058 0.841463
91 AV2 0.415385 0.868421
92 A3P 0.414634 0.944444
93 NNR 0.414414 0.72973
94 ALF ADP 3PG 0.413793 0.8625
95 LA8 ALF 3PG 0.413793 0.8625
96 ANP 0.410853 0.92
97 A1R 0.410448 0.860759
98 ABM 0.409836 0.893333
99 A 0.408333 0.944444
100 AMP 0.408333 0.944444
101 SON 0.408 0.933333
102 5AL 0.407692 0.932432
103 PPS 0.407692 0.829268
104 NAI 0.406897 0.909091
105 DAL AMP 0.406015 0.932432
106 ADX 0.404762 0.829268
107 ATF 0.40458 0.907895
108 AMP DBH 0.404255 0.894737
109 139 0.402685 0.875
110 AMP MG 0.401639 0.893333
111 50T 0.401575 0.906667
112 SRP 0.401515 0.907895
113 3AM 0.4 0.90411
114 FA5 0.4 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1A27; Ligand: NAP; Similar sites found: 395
This union binding pocket(no: 1) in the query (biounit: 1a27.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 3TN7 NJP 0.000000000002615 0.746
2 4NBT NAD 0.000000000007433 0.73395
3 3O26 NDP 0.00000000001263 0.71728
4 1GEG NAD 0.00000000001314 0.71662
5 3A28 NAD 0.00000000001401 0.71558
6 1GEG NAD 0.00000000001637 0.71304
7 2JAP NDP 0.000000000007952 0.71249
8 2JAH NDP 0.000000000009456 0.70976
9 3A28 NAD 0.00000000002032 0.70951
10 1G0N NDP 0.00000000007266 0.70844
11 1G0N PHH 0.0000000001146 0.70703
12 2CFC NAD 0.00000000004416 0.70434
13 2GDZ NAD 0.00000000003275 0.7017
14 1WMA NDP 0.0000000002098 0.70057
15 1WMA AB3 0.0000000002098 0.70057
16 2DKN NAI 0.00000000005829 0.69973
17 2Q2V NAD 0.00000000004604 0.69891
18 4FN4 NAD 0.00000000003977 0.69853
19 2DTX BMA 0.0000000001705 0.69614
20 2BD0 NAP 0.00000000001074 0.69601
21 1XG5 NAP 0.00000000002539 0.69426
22 1XG5 NAP 0.00000000002539 0.69426
23 1NFQ NAI 0.00000000007687 0.69314
24 2Q2V NAD 0.00000000009983 0.69137
25 2Q2V NAD 0.00000000009983 0.69137
26 2WSB NAD 0.000000000286 0.6894
27 1EDO NAP 0.0000000001028 0.68835
28 1E3W NAD 0.00000000007955 0.6872
29 1PR9 NAP 0.0000000001676 0.68279
30 1PR9 NAP 0.0000000001676 0.68279
31 1XHL NDP 0.0000000001517 0.68192
32 1E6W NAD 0.0000000001136 0.68138
33 2AE2 PTO 0.0000000005138 0.67942
34 2AE2 NAP 0.0000000005138 0.67942
35 2AE2 PTO 0.0000000005138 0.67942
36 2AE2 NAP 0.0000000005138 0.67942
37 2AE2 NAP 0.0000000005138 0.67942
38 2AE2 PTO 0.0000000005138 0.67942
39 3VDQ NAD 0.0000000001561 0.67887
40 1AE1 NAP 0.000000000228 0.67769
41 1AE1 NAP 0.000000000228 0.67769
42 4NBU NAI 0.00000000007973 0.67626
43 3SJU NDP 0.00000000009072 0.67576
44 3SJU NDP 0.00000000009072 0.67576
45 1GEE NAD 0.0000000001828 0.67361
46 1GEE NAD 0.0000000001828 0.67361
47 3AFN NAP 0.0000000003142 0.67237
48 1N5D NDP 0.0000000001046 0.67168
49 4O0L NDP 0.0000000001391 0.66716
50 2B4Q NAP 0.000000000279 0.6667
51 2B4Q NAP 0.000000000279 0.6667
52 1U7T NAD 0.0000000007093 0.66519
53 1GEE NAD 0.0000000001739 0.66372
54 3NUG NAD 0.0000000004342 0.66206
55 1IY8 NAD 0.0000000001959 0.66201
56 2ZAT NAP 0.0000000003774 0.66177
57 2ZAT NAP 0.0000000003774 0.66177
58 2ZAT NAP 0.0000000003774 0.66177
59 1IY8 NAD 0.0000000002089 0.66089
60 3D3W NAP 0.0000000002588 0.65719
61 2ZAT NAP 0.0000000005031 0.65707
62 2ZAT NAP 0.0000000005031 0.65707
63 1FK8 NAD 0.000000002638 0.65693
64 2AG5 NAD 0.0000000005779 0.6548
65 4ITU NAI 0.0000000001005 0.65128
66 1JA9 NDP 0.000000001001 0.65079
67 1XKQ NDP 0.0000000001231 0.64868
68 4OSP NAP 0.000000001533 0.6454
69 3OID NDP 0.000000001673 0.64466
70 1H5Q NAP 0.0000000006246 0.64345
71 1H5Q NAP 0.000000001797 0.64276
72 3D3W NAP 0.0000000001966 0.6415
73 3D3W NAP 0.0000000001966 0.6415
74 1H5Q NAP 0.000000001315 0.64137
75 1SNY NAP 0.0000000003916 0.64115
76 2EWM NAD 0.0000000008149 0.63897
77 3OJF IMJ 0.000000006559 0.63783
78 4QED NAP 0.000000001705 0.63713
79 4QED NAP 0.000000001705 0.63713
80 3ICC NAP 0.0000000005091 0.63689
81 3OJF NDP 0.00000000364 0.63614
82 1BDB NAD 0.0000000003188 0.63504
83 4NBW NAD 0.0000000009378 0.63456
84 4O1M NAD 0.000000002367 0.63176
85 2BGM NAJ 0.0000000006921 0.63152
86 3OIG NAD 0.000000005288 0.63124
87 1Q7B NAP 0.000000002681 0.62973
88 4O1M NAD 0.000000003148 0.6271
89 1W8D NAP 0.00000002139 0.62699
90 4FC7 COA 0.00000001649 0.62377
91 4FC7 NAP 0.00000001649 0.62377
92 1W73 NAP 0.00000002827 0.62202
93 1ZK4 AC0 0.000000009661 0.62185
94 1ZK4 NAP 0.000000009661 0.62185
95 3CH6 NAP 0.00000004167 0.6212
96 3CH6 311 0.00000004167 0.6212
97 3CH6 NAP 0.00000007798 0.61997
98 3CH6 311 0.00000007798 0.61997
99 3AY6 NAI 0.00000000008921 0.61654
100 4BKU NAI 0.00000009196 0.61422
101 1X1T NAD 0.000000001234 0.61394
102 1VL8 NAP 0.000000001709 0.61104
103 1VL8 NAP 0.000000001709 0.61104
104 3SJ7 NDP 0.000000006152 0.61023
105 2PD4 DCN 0.0000000173 0.61009
106 2PD4 NAD 0.00000001854 0.60893
107 1Z6Z NAP 0.00000001234 0.60478
108 1Z6Z NAP 0.00000001243 0.60467
109 1Z6Z NAP 0.000000009696 0.60376
110 4K26 NDP 0.000000008651 0.60176
111 4Q9N NAI 0.00000001789 0.60101
112 4Q9N NAI 0.00000002058 0.59871
113 3RJ5 NAD 0.0000000002173 0.5976
114 3GEG NAD 0.000000009332 0.59717
115 3V1U NAD 0.000000004707 0.5956
116 4J7U YTZ 0.00000005332 0.59504
117 4J7U NAP 0.00000004868 0.59471
118 4J7U YTZ 0.00000005715 0.59387
119 4J7U NAP 0.00000005576 0.59243
120 1O5I NAD 0.0000006272 0.59169
121 1YXM ADE 0.00001547 0.58582
122 4R1S NAP 0.000000173 0.58372
123 3ZV6 NAD 0.000000000128 0.58339
124 3U4C NDP 0.00000003747 0.58114
125 1ZBQ NAD 0.00000002432 0.57698
126 3ZV6 4HB 0.0000000001437 0.57519
127 1ZEM NAD 0.0000000297 0.57343
128 4R1S NAP 0.0000002433 0.57204
129 1ZEM NAD 0.00000003843 0.5695
130 1W6U NAP 0.00000001765 0.5694
131 3O03 NAP 0.00000004331 0.56835
132 3O03 NAP 0.00000004331 0.56835
133 1ZBQ NAD 0.000000042 0.56834
134 3RKR NAP 0.0000171 0.56674
135 4ITU 1HS 0.0000000002628 0.5658
136 1U7T TDT 0.0000000007391 0.56434
137 3LU1 NAD 0.0000001534 0.56361
138 1ZBQ NAD 0.00000004458 0.56009
139 1SB8 UD2 0.00000137 0.55961
140 2RH4 EMO 0.0000000001371 0.55845
141 2Q46 NAP 0.000001167 0.55573
142 4HXY NDP 0.0000003387 0.55472
143 4HXY NDP 0.0000003011 0.55466
144 3RKR NAP 0.00002565 0.55073
145 1SB8 NAD 0.000001838 0.54957
146 2Q46 NAP 0.0000005189 0.54863
147 1VL0 NAI 0.0000001116 0.54833
148 3MJE NDP 0.0000005062 0.5441
149 3MJE NDP 0.0000004035 0.54348
150 1XSE NDP 0.000000007362 0.54063
151 4KWI NAP 0.000000005961 0.54033
152 3LU1 NAD 0.0000004285 0.5398
153 4TQG NDP 0.0000005948 0.53707
154 1RPN NDP 0.0000003378 0.53698
155 1UAY ADN 0.00003605 0.53688
156 1RKX NAD 0.0000005417 0.53589
157 1RPN NDP 0.0000003277 0.53563
158 1RPN NDP 0.0000003847 0.53509
159 1RPN NDP 0.0000004134 0.534
160 3JQ7 NAP 0.00000172 0.53349
161 1ORR NAD 0.000001401 0.53313
162 1ORR NAD 0.000001401 0.53313
163 4K26 SFF 0.00000001907 0.5331
164 4KWI 1TJ 0.000000006627 0.53294
165 1E7S NAP 0.000001299 0.53255
166 3A4V NAD 0.00000008846 0.53138
167 3A4V PYR 0.00000008846 0.53138
168 2YY7 NAD 0.000001315 0.53045
169 1R6D NAD 0.000008304 0.52893
170 3WMX NAD 0.000003089 0.52835
171 4PVD NDP 0.0000006353 0.52695
172 1KEW TYD 0.000008287 0.52565
173 3WMX NAD 0.000002133 0.52515
174 1EK6 UPG 0.00001198 0.52452
175 1EK6 NAI 0.00001131 0.52452
176 3H4V DVP 0.000005025 0.52427
177 3JQA NAP 0.000003138 0.52332
178 4PVD NDP 0.000000899 0.52193
179 3BMO NAP 0.000002642 0.52159
180 3AY6 BGC 0.0000000003776 0.52115
181 1ORR NAD 0.00000274 0.52024
182 3KO8 NAD 0.0000009865 0.52016
183 1BXK NAD 0.000001754 0.51971
184 1T2A NDP 0.0000004639 0.51925
185 3JQ8 NAP 0.00000239 0.51874
186 2BKA NDP 0.000003222 0.51829
187 1MXH DHF 0.000005632 0.51803
188 3BMQ NAP 0.000002514 0.51791
189 3JQG NAP 0.000004439 0.51746
190 3JQF NAP 0.000002657 0.51701
191 3JQB NAP 0.000004584 0.51692
192 3H4V NAP 0.000002857 0.51582
193 2V6G NAP 0.00000326 0.51555
194 1R6D DAU 0.00001742 0.51479
195 3H4V NAP 0.000008332 0.51425
196 1WVG APR 0.000009358 0.51388
197 1MXH NAP 0.000007225 0.51382
198 3BMN NAP 0.00000324 0.51377
199 1QG6 NAD 0.00000002063 0.51342
200 1QG6 TCL 0.00000002063 0.51342
201 1V35 NAI 0.00000004064 0.51284
202 1KEW NAD 0.00001953 0.5117
203 4GLL NAD 0.000004634 0.51157
204 1OAA OAA 0.00000002708 0.51102
205 1Z45 NAD 0.000003878 0.51083
206 2WD7 NAP 0.000003294 0.50941
207 1RPN NDP 0.0000004461 0.50898
208 3JQ9 NAP 0.000004461 0.50854
209 2WYV NAD 0.000004706 0.50767
210 4EUE NAI 0.000006363 0.50634
211 4J1Q NDP 0.000003228 0.50617
212 2Q1W NAD 0.000001674 0.50582
213 2C29 NAP 0.000007023 0.50535
214 1Y1P NMN AMP PO4 0.0000009463 0.50366
215 3RFV NAI 0.00001024 0.50334
216 1I2B USQ 0.00004008 0.50209
217 1I2B NAD 0.00004008 0.50209
218 1I2B USQ 0.00004008 0.50209
219 1I2B UPG 0.00004008 0.50209
220 1I2B UPG 0.00004008 0.50209
221 1I2B NAD 0.00004008 0.50209
222 4OHU NAD 0.00000000672 0.50207
223 4OHU 2TK 0.00000000672 0.50207
224 1D7O NAD 0.0000004351 0.50143
225 1D7O TCL 0.0000004351 0.50143
226 2Q1W NAD 0.00000333 0.5009
227 2PZM UDP 0.00002818 0.4973
228 2PZM NAD 0.00002818 0.4973
229 2FR1 NDP 0.000004664 0.49661
230 1GY8 NAD 0.000009064 0.49108
231 1GY8 NAD 0.000009133 0.49096
232 4BNH 6PN 0.00000001265 0.49063
233 4BNH NAP 0.00000001265 0.49063
234 3ZU5 AEW 0.00003132 0.49037
235 3ZU5 NAI 0.0000289 0.49037
236 2PK3 A2R 0.0000006728 0.48962
237 4BNH 6PN 0.00000001804 0.48778
238 4BNH NAP 0.00000001804 0.48778
239 1V6A TRE 0.001165 0.48764
240 3ORF NAD 0.00001841 0.48538
241 3ORF NAD 0.00002362 0.48519
242 2Q1S NAI 0.00006995 0.48164
243 4PIV NDP 0.00002695 0.48087
244 3VZS NAP 0.0000002005 0.47989
245 1UZN NAP 0.0000003534 0.4767
246 2X6T NAP 0.000034 0.47535
247 4PIV NDP 0.00001822 0.47514
248 2X6T NAP 0.00003518 0.4748
249 2X6T NAP 0.00003592 0.47446
250 2X6T NAP 0.00003621 0.47433
251 2X6T NAP 0.00003691 0.47401
252 2X6T NAP 0.00003786 0.4736
253 2X6T NAP 0.00003807 0.47351
254 2X6T NAP 0.00003909 0.47307
255 1HDO NAP 0.00001079 0.4729
256 2X6T NAP 0.00003962 0.47286
257 2X6T NAP 0.00004236 0.47176
258 3VZS CAA 0.0000003197 0.46594
259 1EQ2 NAP 0.00008151 0.46461
260 2BOS GLA GAL 0.001961 0.45937
261 1EQ2 NAP 0.0001142 0.45556
262 3RFV 15L 0.0002571 0.45232
263 2HJR APR 0.0004865 0.4519
264 2HJR APR 0.0005114 0.45099
265 2HJR APR 0.0005313 0.4503
266 2HJR APR 0.0005313 0.4503
267 2HJR APR 0.0005313 0.4503
268 2HJR APR 0.0006646 0.44993
269 2HJR APR 0.0005502 0.44966
270 2HJR APR 0.0006122 0.44772
271 2UYQ SAM 0.007404 0.44647
272 1LTH NAD 0.0006332 0.44355
273 2HJR APR 0.0007728 0.44349
274 2HJR APR 0.0007728 0.44349
275 2HJR APR 0.0007728 0.44349
276 1P77 ATR 0.007538 0.4427
277 3B1F NAD 0.001049 0.44148
278 2IZ1 ATR 0.007505 0.44049
279 1A5Z NAD 0.001207 0.43889
280 3ABI NAD 0.0003222 0.43861
281 1HYE NAP 0.001086 0.43733
282 2HJR APR 0.001123 0.43671
283 4R68 W31 0.001852 0.4357
284 4R68 NAI 0.001933 0.4357
285 2BOS GLA GAL GLC 0.003462 0.43568
286 2HJR APR 0.0009992 0.43542
287 2HJR APR 0.0009992 0.43542
288 2HJR APR 0.0009992 0.43542
289 2F1K NAP 0.001072 0.43091
290 1LTH NAD 0.0008382 0.42888
291 1F8G NAD 0.002075 0.42886
292 4JLS 3ZE 0.01504 0.42856
293 2JL1 NAP 0.000127 0.42639
294 3A4T SFG 0.002428 0.42595
295 3H8V ATP 0.00447 0.42459
296 2C29 NAP 0.0000272 0.42438
297 1N7G GDR 0.000001023 0.42382
298 2C29 DQH 0.00002878 0.42364
299 2GZ3 NAP 0.002763 0.4229
300 2GZ3 NAP 0.002901 0.4229
301 1O6Z NAD 0.00212 0.422
302 1UXG NAD 0.001669 0.42175
303 1UXG FUM 0.001669 0.42175
304 3A4T SFG 0.002607 0.42142
305 1F8G NAD 0.003306 0.42024
306 2D2I NAP 0.00281 0.42005
307 3T31 DCQ 0.004541 0.4197
308 3T31 FAD 0.004173 0.4197
309 2R5A MLZ 0.0132 0.41924
310 4ISS TAR 0.02605 0.41839
311 1KYQ NAD 0.007701 0.4173
312 3H9E NAD 0.002058 0.41654
313 3A3B FMN 0.01986 0.41599
314 2F1K NAP 0.002132 0.41593
315 4FGC PQ0 0.02659 0.41582
316 9LDT NAD 0.001419 0.41578
317 2EXX NAP 0.0004856 0.41563
318 1UDB UFG 0.000008229 0.41516
319 1UDB NAD 0.000008229 0.41516
320 2HYV UAP SGN IDS SGN IDS 0.02778 0.41513
321 2D2I NAP 0.003219 0.41456
322 1E5Q NDP 0.001657 0.41456
323 1E5Q NDP 0.001723 0.41391
324 1E5Q NDP 0.001795 0.41322
325 1E5Q NDP 0.001836 0.41285
326 3L4S 3PG 0.002014 0.41264
327 3L4S NAD 0.001863 0.41264
328 2JBH 5GP 0.02426 0.41145
329 3A3B RBF 0.02469 0.41106
330 1HDG NAD 0.0034 0.41068
331 2HMT NAI 0.005627 0.41038
332 3CMC NAD 0.01026 0.41035
333 9LDB NAD 0.001444 0.40999
334 1LSS NAD 0.006824 0.40982
335 1LSS NAD 0.006824 0.40982
336 1LSS NAD 0.006824 0.40982
337 1I4D GDP 0.02614 0.40976
338 2GZ3 NAP 0.002595 0.40967
339 2OOR NAD 0.005858 0.40964
340 2YX1 SFG 0.01603 0.40924
341 1LDM NAD 0.001976 0.40896
342 4OOE NDP 0.003221 0.40882
343 1M2W NAD 0.006147 0.40875
344 3V1Y NAD 0.00332 0.4083
345 3BP1 GUN 0.0402 0.4083
346 3BP1 GUN 0.0402 0.4083
347 4DPL NAP 0.002065 0.40824
348 3QV1 NAD 0.003341 0.40819
349 2C5A NAD 0.000009343 0.40801
350 2C5A GDC 0.000009343 0.40801
351 1I0Z NAI 0.002211 0.40712
352 3MB5 SAM 0.005724 0.40711
353 1DCP HBI 0.03781 0.40705
354 2YX1 SFG 0.01787 0.40695
355 1CER NAD 0.003711 0.40638
356 3OFK SAH 0.01353 0.40596
357 3LKZ SFG 0.00986 0.40587
358 3CIF G3H 0.003274 0.40579
359 1EZ4 NAD 0.003864 0.40569
360 1J0X NAD 0.006385 0.40568
361 3CIF G3H 0.003143 0.40525
362 1LSS NAD 0.01019 0.40523
363 1KYQ NAD 0.01203 0.4051
364 2F67 12B 0.03639 0.40506
365 1LDN NAD 0.00276 0.40484
366 1GXU 2HP 0.03961 0.40478
367 1LJ8 NAD 0.007637 0.40472
368 3F81 STT 0.02871 0.40451
369 2DTJ THR 0.02798 0.40441
370 2DTJ THR 0.02798 0.40441
371 1BZL FAD 0.02689 0.4044
372 1QO8 FAD 0.00597 0.40411
373 1GV0 NAD 0.002738 0.40362
374 3LKZ SFG 0.0111 0.40358
375 3CIF G3H 0.004042 0.40345
376 3CIF G3H 0.004042 0.40345
377 3ZYB GAL PHB 0.03937 0.40311
378 3TLJ SAH 0.008363 0.40303
379 1SOW NAD 0.003362 0.40289
380 3T2W BTN 0.03021 0.40271
381 2B4R AES 0.00291 0.40263
382 2QES ADE 0.04306 0.4025
383 3CIF G3H 0.003992 0.40249
384 1IE3 NAD 0.001865 0.40228
385 3CIF NAD 0.002105 0.40215
386 4GGZ BTN 0.02642 0.40208
387 3CIF NAD 0.002606 0.4016
388 3CIF NAD 0.002606 0.4016
389 1WBI BTN 0.02324 0.4014
390 4F1O ACP 0.02744 0.40126
391 1A0J BEN 0.04788 0.40117
392 1A0J BEN 0.04788 0.40117
393 1DSS NAD 0.005979 0.40078
394 3B1J NAD 0.00331 0.40052
395 1NVM NAD 0.002713 0.4001
Pocket No.: 2; Query (leader) PDB : 1A27; Ligand: EST; Similar sites found: 37
This union binding pocket(no: 2) in the query (biounit: 1a27.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 3CH6 NAP 0.0001462 0.5349
2 3CH6 311 0.0001462 0.5349
3 2CFC KPC 0.000105 0.52007
4 3CH6 311 0.0002686 0.51455
5 3CH6 NAP 0.0002686 0.51455
6 2BD0 BIO 0.0001545 0.50489
7 2JAP J01 0.0004171 0.47981
8 3AI3 SOL 0.002958 0.4436
9 2WSB NAD 0.005869 0.43779
10 4PIV 2W4 0.002222 0.42752
11 4PIV 2W4 0.002282 0.427
12 3G58 988 0.006 0.41855
13 1XHL TNE 0.000107 0.41818
14 4J7U YTZ 0.01298 0.418
15 4J7U NAP 0.01777 0.41036
16 4J7U YTZ 0.01993 0.40893
17 1B56 PLM 0.01229 0.40792
18 2NNQ T4B 0.02043 0.40741
19 4PM0 32V 0.01585 0.40688
20 3G58 988 0.01119 0.40561
21 1ZK4 AC0 0.02245 0.40542
22 1ZK4 NAP 0.02245 0.40542
23 4J7U NAP 0.02348 0.40447
24 3G4G D71 0.008089 0.4044
25 4NG2 OHN 0.01218 0.40314
26 4BG4 ARG 0.0178 0.40314
27 2AE2 NAP 0.03092 0.40237
28 2AE2 PTO 0.03092 0.40237
29 2AE2 NAP 0.03092 0.40237
30 2AE2 PTO 0.03092 0.40237
31 2AE2 NAP 0.03092 0.40237
32 2AE2 PTO 0.03092 0.40237
33 1XN0 ROL 0.01605 0.40222
34 2ADA HPR 0.008209 0.40217
35 3RYC GTP 0.02029 0.40213
36 4OSP 2V4 0.02101 0.40068
37 2B4B B33 0.01699 0.40058
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