Receptor
PDB id Resolution Class Description Source Keywords
2BD0 1.7 Å EC: 1.1.1.153 CHLOROBIUM TEPIDUM SEPIAPTERIN REDUCTASE COMPLEXED WITH NADP SEPIAPTERIN CHLOROBIUM TEPIDUM SEPIAPTERIN REDUCTASE CHLOROBIUM TEPIDUM OXIDOREDUCTASE
Ref.: STRUCTURE OF CHLOROBIUM TEPIDUM SEPIAPTERIN REDUCTA COMPLEX REVEALS THE NOVEL SUBSTRATE BINDING MODE FO STEREOSPECIFIC PRODUCTION OF L-THREO-TETRAHYDROBIOP J.BIOL.CHEM. V. 281 2249 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BIO D:900;
Valid;
none;
submit data
237.215 C9 H11 N5 O3 C[C@H...
NAP A:800;
B:1800;
C:2800;
D:3800;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
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
2BD0 1.7 Å EC: 1.1.1.153 CHLOROBIUM TEPIDUM SEPIAPTERIN REDUCTASE COMPLEXED WITH NADP SEPIAPTERIN CHLOROBIUM TEPIDUM SEPIAPTERIN REDUCTASE CHLOROBIUM TEPIDUM OXIDOREDUCTASE
Ref.: STRUCTURE OF CHLOROBIUM TEPIDUM SEPIAPTERIN REDUCTA COMPLEX REVEALS THE NOVEL SUBSTRATE BINDING MODE FO STEREOSPECIFIC PRODUCTION OF L-THREO-TETRAHYDROBIOP J.BIOL.CHEM. V. 281 2249 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2BD0 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2BD0 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2BD0 - NAP C21 H28 N7 O17 P3 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BIO; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 BIO 1 1
2 MPU 0.701754 0.830508
3 NEU 0.701754 0.830508
4 NEO 0.701754 0.830508
5 HHR 0.483333 0.818182
6 HHS 0.47541 0.884615
7 PMM 0.432836 0.707692
8 HH2 0.408451 0.686567
9 PE0 0.403509 0.82
Ligand no: 2; Ligand: NAP; Similar ligands found: 127
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 NAD BBN 0.525974 0.865854
31 NPW 0.525547 0.8875
32 CNA 0.521739 0.959459
33 NZQ 0.521739 0.910256
34 NAD CJ3 0.519231 0.835294
35 NDP 0.514493 0.922078
36 PO4 PO4 A A A A PO4 0.503937 0.930556
37 DG1 0.503401 0.922078
38 1DG 0.503401 0.922078
39 NAD TDB 0.5 0.696078
40 TXP 0.5 0.922078
41 NMN AMP PO4 0.492958 0.921053
42 XNP 0.492958 0.875
43 25L 0.492308 0.958904
44 25A 0.492063 0.972222
45 NAD NDT 0.490909 0.747368
46 NMN 0.486726 0.888889
47 NGD 0.485714 0.935065
48 2AM 0.477876 0.891892
49 ADP 0.458333 0.945205
50 PAP 0.451613 0.931507
51 ADP MG 0.45082 0.906667
52 BEF ADP 0.447154 0.883117
53 ADP BEF 0.447154 0.883117
54 A2D 0.445378 0.945205
55 AN2 0.442623 0.932432
56 ADP PO3 0.44 0.944444
57 SAP 0.44 0.896104
58 AGS 0.44 0.896104
59 M33 0.439024 0.906667
60 AR6 AR6 0.438849 0.945205
61 BA3 0.438017 0.945205
62 ATP MG 0.436508 0.906667
63 ADP BMA 0.43609 0.92
64 OAD 0.43609 0.92
65 ATP 0.435484 0.945205
66 OOB 0.435115 0.958904
67 B4P 0.434426 0.945205
68 AP5 0.434426 0.945205
69 GAP 0.433071 0.92
70 0WD 0.432432 0.922078
71 5FA 0.432 0.945205
72 2A5 0.432 0.87013
73 AQP 0.432 0.945205
74 00A 0.428571 0.909091
75 CA0 0.427419 0.92
76 ALF ADP 0.426357 0.871795
77 ADP ALF 0.426357 0.871795
78 ACP 0.424 0.92
79 NAJ PZO 0.423841 0.897436
80 9SN 0.423358 0.897436
81 VO4 ADP 0.423077 0.932432
82 ANP MG 0.423077 0.896104
83 ADP VO4 0.423077 0.932432
84 WAQ 0.422222 0.884615
85 ACQ 0.421875 0.92
86 V3L 0.421875 0.945205
87 ADQ 0.421053 0.92
88 AR6 0.420635 0.918919
89 APR 0.420635 0.918919
90 ATP A A A 0.42029 0.958333
91 CO7 0.419753 0.786517
92 1ZZ 0.419118 0.841463
93 3OD 0.419118 0.92
94 DLL 0.41791 0.958904
95 AD9 0.417323 0.92
96 NAX 0.416667 0.875
97 OVE 0.416667 0.857143
98 MYR AMP 0.416058 0.841463
99 AV2 0.415385 0.868421
100 A3P 0.414634 0.944444
101 NNR 0.414414 0.72973
102 ALF ADP 3PG 0.413793 0.8625
103 OMR 0.413793 0.831325
104 LA8 ALF 3PG 0.413793 0.8625
105 ANP 0.410853 0.92
106 A1R 0.410448 0.860759
107 ABM 0.409836 0.893333
108 AMP 0.408333 0.944444
109 A 0.408333 0.944444
110 SON 0.408 0.933333
111 PPS 0.407692 0.829268
112 5AL 0.407692 0.932432
113 TYR AMP 0.407143 0.933333
114 NAI 0.406897 0.909091
115 7D3 0.406504 0.857143
116 DAL AMP 0.406015 0.932432
117 ADX 0.404762 0.829268
118 ATF 0.40458 0.907895
119 3UK 0.404412 0.945946
120 AMP DBH 0.404255 0.894737
121 139 0.402685 0.875
122 AMP MG 0.401639 0.893333
123 50T 0.401575 0.906667
124 SRP 0.401515 0.907895
125 A A 0.40146 0.972222
126 FA5 0.4 0.933333
127 3AM 0.4 0.90411
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BD0; Ligand: NAP; Similar sites found: 540
This union binding pocket(no: 1) in the query (biounit: 2bd0.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4XB2 HSE 0.001772 0.40833 None
2 2HK9 NAP 0.0007424 0.40823 None
3 4XB2 NDP 0.0004843 0.40534 None
4 1WUW TSU 0.04626 0.40509 None
5 1RKX NAD 0.0000000009081 0.64593 0.819672
6 1IM8 SAI 0.01021 0.40464 1.22951
7 5JAQ NAI 0.000005347 0.46755 1.63934
8 5XVQ SAH 0.0003292 0.46197 1.63934
9 1EZ4 NAD 0.0002937 0.45303 1.63934
10 5T9F TYR 0.0001972 0.4234 1.63934
11 5T9F NAP 0.0002576 0.42327 1.63934
12 2WPB ZZI 0.02188 0.42033 1.63934
13 5T9E NAP 0.0004434 0.41662 1.63934
14 4CJX NAP 0.005027 0.40638 1.63934
15 1SC6 NAD 0.00204 0.40607 1.63934
16 4R1S NAP 0.000000004675 0.64472 2.04918
17 3ORF NAD 0.0000004513 0.52789 2.04918
18 2WYV NAD 0.000003108 0.50339 2.04918
19 5MPT SAH 0.0001227 0.49829 2.04918
20 5THY SAH 0.0003775 0.4674 2.04918
21 1E5Q NDP 0.0001193 0.46142 2.04918
22 1GV0 NAD 0.000245 0.43343 2.04918
23 1H2B NAJ 0.0005483 0.42256 2.04918
24 3OA2 NAD 0.001989 0.41422 2.04918
25 5GWX SAM 0.002812 0.41381 2.04918
26 5GWX SAR 0.002812 0.41381 2.04918
27 2VVM FAD 0.002266 0.41371 2.04918
28 1KOL NAD 0.002547 0.4074 2.04918
29 1YB5 NAP 0.002309 0.40662 2.04918
30 3TWO NDP 0.003359 0.40175 2.04918
31 3LU1 NAD 0.000000002208 0.63775 2.45902
32 4Q9N NAI 0.000000004941 0.6074 2.45902
33 5L4L NAP 0.0000006103 0.50656 2.45902
34 5L4L 7OX 0.00001436 0.49308 2.45902
35 1G55 SAH 0.0003679 0.47214 2.45902
36 2GZ3 NAP 0.0001886 0.46354 2.45902
37 5LD5 NAD 0.001251 0.43753 2.45902
38 1WP4 NDP 0.0001613 0.43257 2.45902
39 1Y8Q ATP 0.002354 0.42281 2.45902
40 2IXB NAD 0.001272 0.41624 2.45902
41 4M73 SAH 0.002954 0.40499 2.45902
42 3FPF MTA 0.003611 0.40497 2.45902
43 4M73 M72 0.003255 0.40453 2.45902
44 2Z3Y F2N 0.004874 0.40394 2.45902
45 2CVZ NDP 0.001085 0.40263 2.45902
46 1V8B NAD 0.003619 0.40168 2.45902
47 3LZW FAD 0.00429 0.40109 2.45902
48 3LZW NAP 0.01083 0.40065 2.45902
49 5HTX ADP 0.03759 0.40008 2.45902
50 1JG3 ADN 0.002011 0.44298 2.55319
51 2OBF F83 0.001471 0.42295 2.76817
52 3OFK SAH 0.004164 0.43223 2.77778
53 1E7S NAP 0.000000066 0.57121 2.86885
54 1D7O NAD 0.0000006238 0.50527 2.86885
55 5L95 AMP 0.0001256 0.49295 2.86885
56 2F1K NAP 0.0000538 0.48248 2.86885
57 5F8F SFG 0.0004867 0.48035 2.86885
58 2JJQ SAH 0.001427 0.46272 2.86885
59 5U5G NAP 0.0002899 0.44654 2.86885
60 4DPL NAP 0.000264 0.44489 2.86885
61 4DMG SAM 0.005786 0.43732 2.86885
62 1LDM NAD 0.0004384 0.43652 2.86885
63 1LTH NAD 0.0000915 0.43046 2.86885
64 4R5M NAP 0.001343 0.42081 2.86885
65 3WGT QSC 0.002984 0.41669 2.86885
66 2FZW NAD 0.002824 0.41306 2.86885
67 3WGT FAD 0.003554 0.41285 2.86885
68 4OBW SAM 0.009376 0.41248 2.86885
69 1J5P NAD 0.0006556 0.41224 2.86885
70 3H8V ATP 0.0001016 0.41127 2.86885
71 4L8V NAP 0.001012 0.41106 2.86885
72 4R5M 4NO 0.001888 0.40983 2.86885
73 4ZGS NAD 0.0004729 0.40693 2.86885
74 2WPF FAD 0.01974 0.40603 2.86885
75 4DSG UDP 0.008693 0.40585 2.86885
76 2WPF WPF 0.02056 0.40526 2.86885
77 4KOA NDP 0.01645 0.40438 2.86885
78 4DSG FAD 0.01027 0.40424 2.86885
79 3C8F MT2 0.02148 0.40183 2.86885
80 3UOY NAP 0.01364 0.40168 2.86885
81 1YQZ FAD 0.01114 0.40085 2.86885
82 2PWY SAH 0.0007409 0.4005 2.86885
83 4YMH SAH 0.002927 0.42846 2.91667
84 2DC1 NAD 0.0009506 0.40708 2.9661
85 2DBZ NAP 0.0002384 0.4303 2.99401
86 1XDS SAM 0.01161 0.41847 3.20856
87 3OU2 SAH 0.001586 0.42678 3.21101
88 1SB8 UD2 0.00000003207 0.61494 3.27869
89 1SB8 NAD 0.00000003409 0.60824 3.27869
90 4O1M NAD 0.00000001292 0.58662 3.27869
91 4GLL NAD 0.00000004433 0.57756 3.27869
92 5H81 NAP 0.0003974 0.46239 3.27869
93 1UWK NAD 0.0001769 0.46151 3.27869
94 1UWK URO 0.0001769 0.46151 3.27869
95 3G2O SAM 0.001646 0.44695 3.27869
96 3V1Y NAD 0.0004965 0.44392 3.27869
97 4GKV NAD 0.0002613 0.44175 3.27869
98 5UAV TFB 0.0003452 0.43991 3.27869
99 5UAV NDP 0.0003452 0.43991 3.27869
100 1LVL NAD 0.0026 0.43071 3.27869
101 3LST SAH 0.01083 0.41994 3.27869
102 4BG4 ARG 0.02525 0.41846 3.27869
103 1P0F NAP 0.001156 0.41515 3.27869
104 1H82 GZZ 0.005638 0.4141 3.27869
105 1NVM NAD 0.001513 0.41342 3.27869
106 1H82 FAD 0.005027 0.41329 3.27869
107 2NAD NAD 0.001739 0.41242 3.27869
108 2B4R NAD 0.001185 0.41219 3.27869
109 1HYH NAD 0.001858 0.41009 3.27869
110 1J0X NAD 0.003498 0.40949 3.27869
111 3GXO SAH 0.01521 0.40927 3.27869
112 1YY5 FAD 0.004371 0.40669 3.27869
113 2RAB NAD 0.01009 0.40643 3.27869
114 3ZNN 4WL 0.007564 0.4062 3.27869
115 3ZNN FAD 0.007564 0.4062 3.27869
116 3L9W AMP 0.001763 0.40547 3.27869
117 1GR0 NAD 0.00304 0.40218 3.27869
118 2Y6Q I7T 0.006688 0.40129 3.27869
119 2Y6Q FAD 0.002751 0.40129 3.27869
120 1DSS NAD 0.001029 0.40063 3.27869
121 5FJN FAD 0.00567 0.40047 3.27869
122 5FJN BE2 0.006329 0.40047 3.27869
123 2BKA NDP 0.0000002645 0.53449 3.30579
124 5E1M SAH 0.0006823 0.45615 3.3195
125 4XFR CIT 0.01615 0.42535 3.51288
126 3CIF NAD 0.0004825 0.42116 3.62117
127 3CIF G3H 0.003558 0.40082 3.62117
128 3OJF IMJ 0.00000002026 0.60743 3.68852
129 3OJF NDP 0.0000000144 0.60186 3.68852
130 5F5N NAD 0.0000008093 0.5553 3.68852
131 2PK3 A2R 0.00000006092 0.5091 3.68852
132 3G89 SAM 0.0003606 0.4917 3.68852
133 4OHU 2TK 0.00000001739 0.47178 3.68852
134 4OHU NAD 0.00000001739 0.47178 3.68852
135 1H9A NAP 0.0003886 0.43535 3.68852
136 5ULP KB1 0.002793 0.41974 3.68852
137 5CAE COA 0.002851 0.41937 3.68852
138 2VHW NAI 0.00142 0.41691 3.68852
139 1X87 NAD 0.0001902 0.41508 3.68852
140 1Z82 NDP 0.002586 0.41249 3.68852
141 1PZG A3D 0.0004172 0.41183 3.68852
142 1ZH8 NAP 0.000833 0.40847 3.68852
143 5CDH TLA 0.03448 0.40651 3.68852
144 2QZZ NAP 0.003057 0.40555 3.68852
145 2QZZ EMF 0.003268 0.40555 3.68852
146 5DOZ NDP 0.00343 0.40255 3.68852
147 3E1T FAD 0.005326 0.40245 3.68852
148 3S1S SAH 0.009486 0.40037 3.68852
149 2HQM FAD 0.005762 0.4002 3.68852
150 3RGG AIR 0.01983 0.41439 3.77358
151 1TE2 PGA 0.04344 0.40163 3.9823
152 1ORR NAD 0.00000001901 0.59324 4.09836
153 1V6A TRE 0.00003539 0.5735 4.09836
154 5IN4 6CK 0.00001214 0.56682 4.09836
155 5IN4 NAP 0.0000124 0.56682 4.09836
156 5IN4 GDP 0.00001553 0.56119 4.09836
157 1VL0 NAI 0.00000005799 0.54438 4.09836
158 1GY8 NAD 0.0000003252 0.54167 4.09836
159 1RPN NDP 0.0000003871 0.51738 4.09836
160 4D79 ATP 0.0002236 0.48641 4.09836
161 2EXX NAP 0.00003184 0.47568 4.09836
162 4RDH AMP 0.0009906 0.4657 4.09836
163 2JL1 NAP 0.000008096 0.45534 4.09836
164 5KKA 6V0 0.0002724 0.43824 4.09836
165 1LDN NAD 0.0006166 0.42234 4.09836
166 1U3U BNF 0.002095 0.41706 4.09836
167 2EG5 SAH 0.01271 0.41654 4.09836
168 4RQU NAD 0.0006282 0.41624 4.09836
169 3TLJ SAH 0.004509 0.41403 4.09836
170 4AP3 NAP 0.008757 0.40572 4.09836
171 2Q0L NAP 0.01917 0.40446 4.09836
172 2HMT NAI 0.00008758 0.42319 4.16667
173 1FK8 NAD 0.000000000001534 0.79328 4.5082
174 4EUE NAI 0.00000008036 0.56806 4.5082
175 1N7G NDP 0.000001945 0.56007 4.5082
176 1N7G GDR 0.000002465 0.54403 4.5082
177 1SOW NAD 0.0003934 0.43237 4.5082
178 1HDG NAD 0.001289 0.43045 4.5082
179 2A92 NAI 0.0006762 0.42372 4.5082
180 3VC1 SAH 0.003937 0.41652 4.5082
181 4J36 1HR 0.003977 0.40734 4.5082
182 2PT9 2MH 0.002369 0.4062 4.5082
183 4J36 FAD 0.002226 0.40596 4.5082
184 3JV7 NAD 0.003222 0.40359 4.5082
185 3W9F I3P 0.02979 0.40238 4.5082
186 5W3Y ACO 0.04761 0.4019 4.5082
187 4FWE FAD 0.005582 0.40167 4.5082
188 3G5S FAD 0.004149 0.40056 4.5082
189 3VYW SAM 0.01274 0.40041 4.5082
190 5KOK SAH 0.0009104 0.45457 4.78589
191 5KOK S9T 0.001087 0.40786 4.78589
192 4QTU SAM 0.0002739 0.47785 4.80769
193 1Z45 NAD 0.00000002738 0.59622 4.91803
194 1WVG APR 0.00000003201 0.55008 4.91803
195 4NEC SAH 0.0002653 0.49286 4.91803
196 4D3F NAP 0.0001534 0.48014 4.91803
197 4K28 NAD 0.0003562 0.45316 4.91803
198 3DMH SAM 0.002142 0.4344 4.91803
199 4E5N NAD 0.001364 0.40979 4.91803
200 3DMH GMP 0.004106 0.40459 4.91803
201 5UAO FAD 0.003681 0.4036 4.91803
202 5DN9 NAD 0.002019 0.40256 4.91803
203 5L3V GDP 0.02626 0.40111 4.91803
204 5DX8 SFG 0.00947 0.4004 4.91803
205 2EV9 SKM 0.002597 0.40221 4.94297
206 2EV9 NAP 0.002597 0.40221 4.94297
207 1Y1P NMN AMP PO4 0.00000009876 0.61044 5.32787
208 3ABI NAD 0.00002213 0.48578 5.32787
209 1CER NAD 0.0003967 0.44781 5.32787
210 5WGG SAM 0.00481 0.4331 5.32787
211 3A27 SAM 0.003493 0.43205 5.32787
212 5X62 SAH 0.004675 0.42989 5.32787
213 5MGZ SAH 0.003497 0.42847 5.32787
214 3CMC NAD 0.003469 0.42531 5.32787
215 3WLE NAD 0.001023 0.42224 5.32787
216 4YCA NDP 0.003322 0.41091 5.32787
217 1WDK NAD 0.0003324 0.40724 5.32787
218 3MB5 SAM 0.0003948 0.40552 5.32787
219 1TB4 PEJ 0.003577 0.40186 5.32787
220 4C3Y FAD 0.004948 0.40178 5.32787
221 3AYI HCI 0.008982 0.40104 5.32787
222 3AYI FAD 0.008598 0.40104 5.32787
223 1GAD NAD 0.001202 0.40098 5.32787
224 4C3Y ANB 0.006895 0.40078 5.32787
225 1HYE NAP 0.0004669 0.4006 5.32787
226 3EWP APR 0.00269 0.41458 5.64972
227 2DT5 NAD 0.001175 0.42305 5.6872
228 5MSO NAP 0.000000006988 0.57992 5.7377
229 1KPG SAH 0.003228 0.42331 5.7377
230 1U1I NAD 0.00141 0.41457 5.7377
231 2GSD NAD 0.001526 0.41453 5.7377
232 5DTK 5F3 0.02433 0.4137 5.7377
233 4XZ3 COA 0.004826 0.41278 5.7377
234 1I8T FAD 0.002273 0.4126 5.7377
235 1N4W FAD 0.003365 0.41013 5.7377
236 2NXE SAM 0.01151 0.4084 5.7377
237 3EGV SAH 0.01387 0.40785 5.7377
238 1F8G NAD 0.00885 0.40445 5.7377
239 4KP7 NAP 0.006038 0.40387 5.7377
240 1XHC FAD 0.003194 0.40372 5.7377
241 4D42 NAP 0.00000000856 0.63463 6.14754
242 4D42 W0I 0.00000000856 0.63463 6.14754
243 2Q1W NAD 0.000000269 0.54877 6.14754
244 2PZM UDP 0.000004837 0.51939 6.14754
245 2PZM NAD 0.000004837 0.51939 6.14754
246 4MDH NAD 0.0005121 0.44013 6.14754
247 5MDH NAD 0.0003451 0.42007 6.14754
248 1VKO NAD 0.0008935 0.41927 6.14754
249 1PL6 572 0.0009449 0.41837 6.14754
250 1PL6 NAD 0.0001294 0.41181 6.14754
251 1HDO NAP 0.000001112 0.51457 6.31068
252 5NBW 8SK 0.02611 0.40463 6.54206
253 4PVD NDP 0.00000004309 0.55166 6.55738
254 1I2B NAD 0.0000015 0.55147 6.55738
255 2C29 NAP 0.0000007317 0.55091 6.55738
256 2C29 DQH 0.000002171 0.53276 6.55738
257 5XVK SAH 0.0003687 0.4599 6.55738
258 1I2B USQ 0.004419 0.44262 6.55738
259 1I2B UPG 0.004419 0.44262 6.55738
260 4OOE NDP 0.0006464 0.43934 6.55738
261 1T26 NAI 0.0008646 0.43179 6.55738
262 4RPL FAD 0.002774 0.42791 6.55738
263 4RPL 3UC 0.003213 0.42731 6.55738
264 3GFB NAD 0.001133 0.42658 6.55738
265 5JJR SAH 0.007555 0.41676 6.55738
266 3A25 SAM 0.01153 0.40837 6.55738
267 3DXY SAM 0.005927 0.4368 6.88073
268 1I0Z NAI 0.0001504 0.45417 6.96721
269 2I3G NAP 0.0002471 0.44284 6.96721
270 1ZMD NAI 0.001361 0.42949 6.96721
271 1GUZ NAD 0.0004327 0.42144 6.96721
272 3T31 DCQ 0.00393 0.41756 6.96721
273 3T31 FAD 0.003629 0.41742 6.96721
274 2DFV NAD 0.000561 0.41438 6.96721
275 4J4H 1J1 0.004368 0.40849 6.96721
276 4J4H NAI 0.004368 0.40849 6.96721
277 1YS4 NAP 0.0002742 0.40591 6.96721
278 4ZNO SUC 0.02969 0.40195 6.96721
279 4JK3 NAD 0.001127 0.40132 6.96721
280 2XVE FAD 0.01132 0.40123 6.96721
281 3GGO NAI 0.0005014 0.43976 7.37705
282 3GGO ENO 0.0005014 0.43976 7.37705
283 4W6Z 8ID 0.001812 0.41294 7.37705
284 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 0.02555 0.40179 7.37705
285 2FR1 NDP 0.00000000559 0.61063 7.40741
286 3GFS FMN 0.02948 0.40199 7.47126
287 3B1J NAD 0.0007728 0.42716 7.78689
288 1D1T NAD 0.0008944 0.41925 7.78689
289 3GDH SAH 0.003664 0.41485 7.88382
290 4GUS FAD 0.005976 0.40143 8.06452
291 4GUT FAD 0.006641 0.40141 8.06452
292 4HSU FAD 0.006226 0.40075 8.06452
293 5FA8 SAM 0.003098 0.42092 8.07453
294 1BXK NAD 0.00000001292 0.58092 8.19672
295 1R6D NAD 0.0000002614 0.5803 8.19672
296 4ZRN NAD 0.0000000171 0.57732 8.19672
297 1R6D DAU 0.0000006333 0.56391 8.19672
298 4ZRN UPG 0.0000001437 0.47156 8.19672
299 1BW9 NAD 0.0005223 0.4573 8.19672
300 1C1X NAD 0.0005875 0.441 8.19672
301 5GM1 SAH 0.001447 0.43486 8.19672
302 2PV7 NAD 0.001009 0.42855 8.19672
303 1MUU NAD 0.001876 0.42381 8.19672
304 3NJ4 AFX 0.01987 0.41259 8.19672
305 3NJ4 NAD 0.0205 0.412 8.19672
306 1BXG NAD 0.0005818 0.40933 8.19672
307 1LLU NAD 0.00111 0.40806 8.19672
308 2CDU FAD 0.002891 0.40534 8.19672
309 5M67 ADE 0.005952 0.40495 8.19672
310 5M67 NAD 0.006048 0.40468 8.19672
311 5M67 3D1 0.006582 0.40324 8.19672
312 1LSS NAD 0.0001106 0.41473 8.57143
313 2BH9 NAP 0.002004 0.45117 8.60656
314 5LOG SAH 0.001863 0.44068 8.60656
315 2FK8 SAM 0.003395 0.42563 8.60656
316 1SAY PYR 0.00108 0.41888 8.60656
317 1MV8 NAD 0.000325 0.41861 8.60656
318 1O6Z NAD 0.0002753 0.41262 8.60656
319 2G5C NAD 0.001282 0.40848 8.60656
320 4GGZ BTN 0.03048 0.40126 8.69565
321 2HJR APR 0.00003605 0.50245 9.01639
322 4RF7 ARG 0.02066 0.41634 9.01639
323 3B1F NAD 0.000178 0.41452 9.01639
324 3EGI ADP 0.004432 0.45754 9.2233
325 2HYV UAP SGN IDS SGN IDS 0.001543 0.48598 9.42623
326 4XQC NAD 0.0002107 0.4031 9.42623
327 2C5A GDC 0.00000004449 0.46924 9.83607
328 2C5A NAD 0.00000004449 0.46924 9.83607
329 4RSL FAD 0.0004187 0.41499 9.88764
330 3KO8 NAD 0.000000005023 0.61234 10.2459
331 5JE8 NAD 0.0007043 0.44112 10.2459
332 3SSO SAH 0.001814 0.41739 10.2459
333 1R37 NAD 0.0007941 0.42383 10.3746
334 3MJE NDP 0.000000000618 0.63468 10.4839
335 9LDB NAD 0.0002076 0.43944 10.6557
336 9LDT NAD 0.000226 0.4381 10.6557
337 3QV1 NAD 0.0005829 0.44446 10.9756
338 1EK6 UPG 0.0000004463 0.5735 11.0656
339 1EK6 NAI 0.0000001244 0.45712 11.0656
340 5FTW SAH 0.001371 0.44288 11.4754
341 3I6I NDP 0.00007224 0.43204 11.4754
342 3CGB FAD 0.003112 0.40526 11.4754
343 5K7U SAM 0.01142 0.40856 11.5556
344 1QG6 TCL 0.00000003353 0.60237 11.8852
345 1QG6 NAD 0.00000003353 0.60237 11.8852
346 1UDB NAD 0.0000004629 0.56803 11.8852
347 5CG1 NAD BBN 0.0000005104 0.42533 11.8852
348 4OPC PGT 0.03168 0.40078 11.8852
349 4OPC FDA 0.02736 0.40078 11.8852
350 1V35 NAI 0.000000115 0.57866 12.2951
351 1RYI FAD 0.005027 0.40152 12.2951
352 2CUL FAD 0.002875 0.40427 12.5
353 5HJM MTA 0.01275 0.40331 12.7049
354 1O94 ADP 0.002584 0.42113 12.8788
355 1E6E FAD 0.003864 0.40062 13.2812
356 3A4V NAD 0.00000002194 0.59701 13.5246
357 3A4V PYR 0.00000002194 0.56055 13.5246
358 2Q46 NAP 0.00000007928 0.55476 13.5246
359 4PLG NAI 0.0003701 0.44004 13.5246
360 3A06 FOM 0.001298 0.41837 13.9344
361 3A06 NDP 0.001208 0.41706 13.9344
362 1A5Z NAD 0.0002206 0.40963 13.9344
363 2E5V FAD 0.005649 0.40147 13.9344
364 3AD8 FAD 0.007381 0.41196 14.1414
365 2GAG FAD 0.004588 0.40678 14.1414
366 2YY7 NAD 0.00000006965 0.56607 14.7541
367 2VDV SAM 0.002024 0.45535 14.7541
368 1V59 FAD 0.005922 0.40248 14.7541
369 1P77 ATR 0.001388 0.48448 15.1639
370 3BAZ NAP 0.0003643 0.45276 15.5738
371 1NYT NAP 0.0008972 0.43685 15.9836
372 3VPH NAD 0.000512 0.42955 15.9836
373 3VPH OXM 0.0008325 0.42435 15.9836
374 3WMX NAD 0.0000005123 0.56323 16.4804
375 2V6G NAP 0.00000007826 0.56389 17.2131
376 2Q1S NAI 0.000004514 0.52055 17.623
377 3RFV NAI 0.00000006079 0.55392 18.4426
378 3RFV 15L 0.000002507 0.49193 18.4426
379 3O26 NDP 0.00000000000175 0.72493 19.2623
380 4TQG NDP 0.000000001752 0.61339 19.6721
381 2F5Z FAD 0.005456 0.40205 20.3125
382 5E8J SAH 0.0002436 0.49997 20.4545
383 4HXY NDP 0.000000001248 0.62948 20.4918
384 4J1Q NDP 0.00000000718 0.58576 21.3115
385 1KEW TYD 0.000000212 0.58004 21.3115
386 1OC2 NAD 0.0000004837 0.57212 21.3115
387 1KEW NAD 0.0000006042 0.56349 21.3115
388 4PIV NDP 0.0000008349 0.52687 21.3115
389 1OC2 TDX 0.0000004837 0.4391 21.3115
390 4U7W NDP 0.000000001641 0.65591 22.541
391 2PD4 DCN 0.00000007004 0.57625 22.9508
392 2PD4 NAD 0.00000008003 0.57409 22.9508
393 3RJ5 NAD 0.00000000004021 0.70407 23.7705
394 3U4C NDP 0.0000000001402 0.64891 23.7705
395 1SNY NAP 0.00000000006254 0.6472 23.7705
396 1EQ2 NAP 0.000002388 0.50574 24.1803
397 5L4S NAP 0.00000000002862 0.70734 24.5902
398 5L4S 6KX 0.00000000002862 0.70734 24.5902
399 3CGD NAD 0.01334 0.40706 24.5902
400 3CGD FAD 0.01334 0.40706 24.5902
401 3CGD COA 0.01334 0.40706 24.5902
402 1UXG NAD 0.0002246 0.44946 25.8197
403 1W73 NAP 0.0000000000137 0.76364 26.2295
404 1W8D NAP 0.00000000001161 0.65398 26.2295
405 3OIG NAD 0.0000000217 0.57039 26.2295
406 1MXH DHF 0.00000002312 0.59993 26.8116
407 1MXH NAP 0.00000003543 0.59294 26.8116
408 1W6U NAP 0.000000000009456 0.65654 27.0492
409 1NFQ NAI 0.00000000000007794 0.7892 27.459
410 5GT9 NAP 0.00000000001095 0.7035 28.2787
411 2EWM NAD 0.0000000000003368 0.77413 29.5082
412 2BGM NAJ 0.000000000005051 0.6838 30.2158
413 1E3W NAD 0.00000000000008349 0.80573 30.3279
414 1E6W NAD 0.00000000000009237 0.80406 30.3279
415 2DKN NAI 0.0000000000000111 0.8488 30.7377
416 1N5D NDP 0.00000000002343 0.69155 30.7377
417 4FC7 NAP 0.0000000002372 0.6831 30.7377
418 4FC7 COA 0.0000000002372 0.6831 30.7377
419 5L53 NAP 0.00000000005118 0.75821 31.1475
420 1WMA AB3 0.00000000004243 0.71373 31.1475
421 1WMA NDP 0.00000000004243 0.59359 31.1475
422 3JQ7 NAP 0.000000006808 0.63164 31.5574
423 1XSE NDP 0.000000000003127 0.75062 31.9672
424 4K26 SFF 0.00000000004004 0.70635 31.9672
425 4K26 NDP 0.00000000001315 0.70036 31.9672
426 1ZEM NAD 0.00000000001152 0.67014 31.9672
427 4CLO NAP 0.000000001892 0.65348 31.9672
428 4CM9 NAP 0.000000001342 0.64596 31.9672
429 4CME NAP 0.000000002229 0.64403 31.9672
430 3BMQ NAP 0.000000001614 0.64292 31.9672
431 4CM4 NAP 0.000000002426 0.64261 31.9672
432 4CM8 NAP 0.000000002442 0.6425 31.9672
433 5JDC NAP 0.000000002487 0.64219 31.9672
434 5JCJ NAP 0.000000002538 0.64185 31.9672
435 3BMO NAP 0.000000002767 0.6404 31.9672
436 3JQA NAP 0.000000004129 0.64017 31.9672
437 3JQF NAP 0.000000002174 0.63801 31.9672
438 3JQG NAP 0.000000005445 0.63545 31.9672
439 4CMI NAP 0.000000004169 0.63353 31.9672
440 3JQB NAP 0.000000006136 0.63342 31.9672
441 5K6A NAP 0.000000001258 0.62324 31.9672
442 2VZ0 D64 0.00000008621 0.62122 31.9672
443 2VZ0 NAP 0.00000008621 0.62122 31.9672
444 3JQ8 NAP 0.000000002164 0.615 31.9672
445 3BMN NAP 0.000000002607 0.61208 31.9672
446 3JQ9 NAP 0.000000004384 0.60427 31.9672
447 5JDI NAP 0.000000003226 0.60314 31.9672
448 4CLR NAP 0.000000003281 0.60283 31.9672
449 2WD7 NAP 0.000000003633 0.60139 31.9672
450 3VZS NAP 0.0000000002771 0.56806 31.9672
451 3VZS CAA 0.000000002853 0.46306 31.9672
452 5JCJ 6JM 0.0338 0.41012 31.9672
453 2X6T NAP 0.0000006761 0.52536 32.377
454 5ITV NAI 0.0000000000001221 0.77384 32.7869
455 3ICC NAP 0.0000000000001757 0.77621 33.1967
456 4YAG NAI 0.00000000001576 0.61364 33.1967
457 4M38 SAH 0.002161 0.43423 33.3333
458 2Q2V NAD 0.0000000000001698 0.77979 33.6066
459 3CH6 NAP 0.0000000000495 0.73815 33.6066
460 3CH6 311 0.0000000000495 0.73815 33.6066
461 4OSP NAP 0.000000000001433 0.71795 33.8403
462 1UAY ADN 0.0000001701 0.45979 33.8843
463 2WSB NAD 0.0000000000001388 0.80205 34.0164
464 3H4V DVP 0.00000000667 0.6276 34.0164
465 3H4V NAP 0.00000002012 0.60755 34.0164
466 5THQ NDP 0.0000000000008008 0.73604 34.1912
467 1JA9 NDP 0.000000000001883 0.73833 34.3066
468 3OID NDP 0.000000000004694 0.72652 34.4262
469 3AFN NAP 0.0000000000006299 0.75874 34.4961
470 4O0L NDP 0.000000000001329 0.75186 34.5455
471 2AE2 NAP 0.00000000000001443 0.83948 34.8361
472 1XHL NDP 0.0000000000001278 0.7813 34.8361
473 2B4Q NAP 0.0000000000003435 0.74958 34.8361
474 3NUG NAD 0.000000000001898 0.73085 34.8361
475 2AE2 PTO 0.00000000000001443 0.72034 34.8361
476 5FA5 MTA 0.003846 0.43772 35
477 4NBW NAD 0.000000000004042 0.69637 35.2459
478 1O5I NAD 0.00000000572 0.54036 35.3414
479 3GEG NAD 0.000000000008238 0.68375 35.6557
480 3O03 NAP 0.0000000002722 0.62774 35.6557
481 4ITU NAI 0.0000000000001679 0.76405 35.6877
482 4ITU 1HS 0.000000000000701 0.65241 35.6877
483 1PR9 NAP 0.000000000000002887 0.84505 36.0656
484 3D3W NAP 0.000000000000004441 0.83815 36.0656
485 1A27 NAP 0.00000000001074 0.69601 36.0656
486 3HB5 NAP 0.00000000004457 0.56155 36.0656
487 3SJU NDP 0.00000000000006173 0.80168 36.4754
488 1BDB NAD 0.000000000002097 0.72485 36.4754
489 1DLJ UGA 0.004588 0.41021 36.4754
490 1DLJ NAI 0.004971 0.40884 36.4754
491 1GEG NAD 0.00000000000001477 0.83433 36.8852
492 1XKQ NDP 0.0000000000002066 0.77663 36.8852
493 1ZK4 NAP 0.00000000003815 0.70031 36.8852
494 2AG5 NAD 0.00000000000415 0.71139 37.3984
495 2DTX BMA 0.0000000000001582 0.79739 37.7049
496 1G0N PHH 0.0000000000003709 0.78821 37.7049
497 1G0N NDP 0.0000000000002532 0.78711 37.7049
498 3ZV6 NAD 0.000000000001049 0.77098 37.7049
499 3ZV6 4HB 0.000000000001203 0.77098 37.7049
500 4FN4 NAD 0.000000000000007216 0.84616 38.1148
501 1AE1 NAP 0.000000000000003331 0.8429 38.1148
502 3A28 NAD 0.00000000000006539 0.80975 38.1148
503 3WXB NDP 0.000000000001754 0.74736 38.1148
504 2ZAT NAP 0.000000000002068 0.72262 38.1148
505 1H5Q NAP 0.000000000001477 0.73477 38.5246
506 4ZA2 NAD 0.000000000002666 0.71168 38.5246
507 2GDZ NAD 0.00000000000003653 0.78401 38.9344
508 4QED NAP 0.000000000002956 0.71679 38.9344
509 4KWI NAP 0.00000000001322 0.6297 38.9344
510 4KWI 1TJ 0.00000000001507 0.62002 38.9344
511 1IY8 NAD 0.00000000000002454 0.7991 39.3443
512 1U7T TDT 0.000000000001224 0.76843 39.3443
513 1U7T NAD 0.000000000001134 0.71472 39.3443
514 1UZN NAP 0.000000001646 0.52297 39.3443
515 5EPO NAP 0.0000000001462 0.68254 39.7541
516 5T2U NAP 0.0000000000000584 0.78031 40.1639
517 1X1T NAD 0.000000000003864 0.71483 40.1639
518 1Q7B NAP 0.00000000008892 0.69073 40.1639
519 2CFC NAD 0.00000000000001577 0.84294 40.9836
520 2CFC KPC 0.008419 0.44627 40.9836
521 4CQM NAP 0.00000000000006173 0.7765 41.3934
522 2RH4 EMO 0.0000000000002022 0.6422 42.623
523 4NBU NAI 0.0000000000002452 0.77928 43.0328
524 3SJ7 NDP 0.000000000003138 0.70805 43.0328
525 2JAH NDP 0.000000000000005107 0.82314 43.4426
526 3V1U NAD 0.00000000000516 0.67532 43.4426
527 1GZ6 NAI 0.000000007578 0.6115 43.4426
528 1VL8 NAP 0.0000000000001988 0.76189 43.8525
529 3QWI NAP 0.0000000000007395 0.75326 43.8525
530 3QWI CUE 0.000000000003057 0.75326 43.8525
531 1ZBQ NAD 0.0000000006673 0.64458 43.8525
532 4NBT NAD 0.00000000000003841 0.77454 44.1667
533 2JAP NDP 0.00000000000000433 0.84474 45.082
534 3TN7 NJP 0.000000000000006883 0.81884 45.9016
535 1XG5 NAP 0.00000000000005784 0.80273 46.3115
536 1EDO NAP 0.00000000000005063 0.79608 46.3115
537 3RKR NAP 0.000000008286 0.47427 46.3115
538 3AY6 NAI 0.000000000000182 0.715 46.7213
539 3AY6 BGC 0.000000000001157 0.59242 46.7213
540 1GEE NAD 0.0000000000004867 0.77664 47.1311
Pocket No.: 2; Query (leader) PDB : 2BD0; Ligand: NAP; 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: 2bd0.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2BD0; Ligand: NAP; 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: 2bd0.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2BD0; Ligand: NAP; 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: 2bd0.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 2BD0; Ligand: BIO; Similar sites found: 61
This union binding pocket(no: 5) in the query (biounit: 2bd0.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GV0 NAD 0.01663 0.42512 2.04918
2 4O67 1SY 0.01136 0.4144 2.04918
3 2BIW 3ON 0.004775 0.43226 2.45902
4 5L4L 7OX 0.02046 0.42929 2.45902
5 5FLJ QUE 0.01277 0.41928 2.68817
6 4JWH SAH 0.01756 0.40924 2.86885
7 4J24 EST 0.02417 0.40546 2.91667
8 1SB8 UD2 0.008189 0.44961 3.27869
9 1EWK GLU 0.0138 0.40478 3.27869
10 1SB8 NAD 0.04711 0.40056 3.27869
11 2CKM AA7 0.03484 0.40385 3.68852
12 1VAY AZA 0.002135 0.44076 4.09836
13 1QZR ANP 0.01259 0.41921 4.09836
14 5KVM THR TYR PHE ALA VAL LEU MET VAL SER 0.02192 0.40957 4.21053
15 3PGL RZX 0.004845 0.40881 4.44444
16 2IVF MGD 0.03949 0.40784 4.91803
17 4EIP K2C 0.037 0.40887 6.14754
18 2C29 DQH 0.004189 0.45897 6.55738
19 2C29 NAP 0.01011 0.4445 6.55738
20 4BH1 SIA GAL NAG 0.0125 0.43031 6.62651
21 2E2R 2OH 0.01736 0.4346 7.78689
22 1R6D DAU 0.0249 0.41102 8.19672
23 2GJ3 FAD 0.01845 0.41055 8.33333
24 5EYP LOC 0.02263 0.41074 13.6095
25 1EU8 TRE 0.003575 0.44832 13.9344
26 3RFV 15L 0.01297 0.41066 18.4426
27 1WK9 TSB 0.02254 0.40008 19.863
28 1ZMT RNO 0.00404 0.43609 20.9016
29 1KEW NAD 0.02332 0.42438 21.3115
30 1KEW TYD 0.02449 0.42191 21.3115
31 3RJ5 NAD 0.000209 0.52555 23.7705
32 1EQ2 ADQ 0.0335 0.41591 24.1803
33 1NFQ NAI 0.002155 0.4712 27.459
34 2BGM MAX 0.005735 0.42992 30.2158
35 1WMA AB3 0.005563 0.45175 31.1475
36 1XSE NDP 0.0007035 0.49775 31.9672
37 4K26 SFF 0.001187 0.48797 31.9672
38 2X6T NAP 0.02857 0.40816 32.377
39 3CH6 311 0.0008214 0.52061 33.6066
40 3CH6 NAP 0.0008214 0.52061 33.6066
41 2Q2V NAD 0.03044 0.40909 33.6066
42 4OSP 2V4 0.003741 0.41592 33.8403
43 4JP3 CIT 0.0003257 0.46998 33.8912
44 2WSB NAD 0.000008024 0.62498 34.0164
45 1JA9 PYQ 0.0003174 0.48202 34.3066
46 2AE2 NAP 0.0002834 0.53264 34.8361
47 1XHL TNE 0.0006263 0.46401 34.8361
48 3AI3 SOL 0.00006645 0.52635 35.2459
49 3GEG NAD 0.02848 0.41278 35.6557
50 1A27 EST 0.0001545 0.50489 36.0656
51 1ZK4 NAP 0.000622 0.5256 36.8852
52 3ZV6 NAD 0.0001792 0.54065 37.7049
53 3ZV6 4HB 0.0001869 0.54065 37.7049
54 1G0N PHH 0.002508 0.48039 37.7049
55 1G0N NDP 0.003454 0.47142 37.7049
56 2DTX BMA 0.00157 0.46443 37.7049
57 1U7T TDT 0.003541 0.44404 39.3443
58 1IY8 NAD 0.02923 0.41209 39.3443
59 2CFC KPC 0.000009397 0.47523 40.9836
60 2JAP J01 0.00007138 0.42285 45.082
61 3TN7 NJP 0.01885 0.42964 45.9016
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