Receptor
PDB id Resolution Class Description Source Keywords
1VL0 2.05 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF A DTDP-4-DEHYDRORHAMNOSE REDUCTASE, RFB (CA_C2315) FROM CLOSTRIDIUM ACETOBUTYLICUM ATCC 824 AT 2.05R ESOLUTION CLOSTRIDIUM ACETOBUTYLICUM DTDP-4-DEHYDRORHAMNOSE REDUCTASE RFBD ORTHOLOG STRUCTURAL JOINT CENTER FOR STRUCTURAL GENOMICS JCSG PROTEIN STRUCTUINITIATIVE PSI OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF DTDP-4-DEHYDRORHAMNOSE REDUCTA ORTHOLOG (CAC2315) FROM CLOSTRIDIUM ACETOBUTYLICUM RESOLUTION TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAI A:300;
B:300;
C:300;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
665.441 C21 H29 N7 O14 P2 c1nc(...
UNL A:301;
Invalid;
none;
submit data
n/a NULL NULL
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1VL0 2.05 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF A DTDP-4-DEHYDRORHAMNOSE REDUCTASE, RFB (CA_C2315) FROM CLOSTRIDIUM ACETOBUTYLICUM ATCC 824 AT 2.05R ESOLUTION CLOSTRIDIUM ACETOBUTYLICUM DTDP-4-DEHYDRORHAMNOSE REDUCTASE RFBD ORTHOLOG STRUCTURAL JOINT CENTER FOR STRUCTURAL GENOMICS JCSG PROTEIN STRUCTUINITIATIVE PSI OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF DTDP-4-DEHYDRORHAMNOSE REDUCTA ORTHOLOG (CAC2315) FROM CLOSTRIDIUM ACETOBUTYLICUM RESOLUTION TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 1VL0 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 1VL0 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 1VL0 - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAI; Similar ligands found: 249
No: Ligand ECFP6 Tc MDL keys Tc
1 NAI 1 1
2 0WD 0.814815 0.986842
3 NDP 0.803738 0.986842
4 AP0 0.743119 0.961039
5 NMN AMP PO4 0.704348 0.960526
6 NAX 0.663717 0.961538
7 A2D 0.659574 0.933333
8 6V0 0.649123 0.986842
9 TXE 0.62931 0.948052
10 BA3 0.628866 0.933333
11 AP5 0.622449 0.933333
12 B4P 0.622449 0.933333
13 TXD 0.62069 0.923077
14 APR 0.613861 0.907895
15 AR6 0.613861 0.907895
16 EAD 0.609375 0.961538
17 AGS 0.607843 0.8625
18 SAP 0.607843 0.8625
19 ADP 0.606061 0.907895
20 ATP 0.60396 0.907895
21 50T 0.60396 0.871795
22 AN2 0.6 0.896104
23 A22 0.598131 0.921053
24 5FA 0.598039 0.907895
25 AQP 0.598039 0.907895
26 CA0 0.594059 0.909091
27 M33 0.594059 0.896104
28 AD9 0.592233 0.884615
29 NAJ PZO 0.592 0.935897
30 P1H 0.590909 0.9375
31 ACP 0.588235 0.884615
32 A1R 0.587156 0.851852
33 4AD 0.587156 0.886076
34 PRX 0.582524 0.8375
35 ANP 0.580952 0.884615
36 3OD 0.580357 0.909091
37 SRP 0.579439 0.873418
38 ADX 0.578431 0.821429
39 OAD 0.576577 0.909091
40 5AL 0.575472 0.896104
41 ADJ 0.569106 0.890244
42 UP5 0.566667 0.960526
43 ACQ 0.566038 0.884615
44 AMP 0.561224 0.881579
45 A 0.561224 0.881579
46 ATF 0.555556 0.873418
47 8QN 0.54955 0.896104
48 25L 0.547826 0.921053
49 4TC 0.544715 0.935897
50 ADQ 0.544643 0.909091
51 PAJ 0.544643 0.853659
52 AMO 0.544643 0.897436
53 ABM 0.544554 0.858974
54 NPW 0.544 0.949367
55 WAQ 0.54386 0.851852
56 PR8 0.54386 0.821429
57 LAD 0.54386 0.831325
58 DG1 0.541353 0.986842
59 1DG 0.541353 0.986842
60 00A 0.539823 0.875
61 NZQ 0.539683 0.974026
62 1ZZ 0.53913 0.811765
63 BIS 0.53913 0.851852
64 APC 0.537736 0.873418
65 OMR 0.536585 0.823529
66 5SV 0.535714 0.797619
67 OOB 0.535714 0.921053
68 25A 0.535714 0.907895
69 3UK 0.535088 0.909091
70 AMP MG 0.534653 0.835443
71 AP2 0.533981 0.873418
72 A12 0.533981 0.873418
73 NXX 0.528455 0.922078
74 DND 0.528455 0.922078
75 CNA 0.527559 0.922078
76 AHX 0.526316 0.864198
77 DLL 0.526316 0.921053
78 FYA 0.525862 0.871795
79 NB8 0.525862 0.864198
80 ME8 0.525862 0.811765
81 PTJ 0.525862 0.841463
82 YAP 0.525424 0.886076
83 SRA 0.524752 0.8375
84 SON 0.52381 0.873418
85 TAT 0.522936 0.873418
86 VO4 ADP 0.522523 0.871795
87 ADP VO4 0.522523 0.871795
88 48N 0.520325 0.864198
89 YLP 0.520325 0.793103
90 YLB 0.52 0.793103
91 AU1 0.518868 0.884615
92 ADP MG 0.518868 0.848101
93 ADP PO3 0.518519 0.881579
94 9SN 0.516949 0.864198
95 BEF ADP 0.514019 0.82716
96 ADP BEF 0.514019 0.82716
97 ATP MG 0.513761 0.848101
98 TXA 0.512821 0.897436
99 FA5 0.512605 0.897436
100 GAP 0.509091 0.860759
101 4UU 0.508197 0.960526
102 YLC 0.507937 0.833333
103 T5A 0.507812 0.925926
104 RBY 0.504587 0.873418
105 ADV 0.504587 0.873418
106 4UW 0.504 0.924051
107 TXP 0.503876 0.911392
108 DAL AMP 0.5 0.871795
109 ALF ADP 0.5 0.817073
110 G3A 0.5 0.8875
111 TYM 0.5 0.897436
112 ADP ALF 0.5 0.817073
113 LAQ 0.5 0.811765
114 COD 0.496183 0.786517
115 YLA 0.496124 0.813953
116 139 0.496124 0.9125
117 AFH 0.495935 0.853659
118 G5P 0.495935 0.8875
119 XAH 0.495868 0.811765
120 ANP MG 0.495575 0.839506
121 BT5 0.492424 0.784091
122 AYB 0.492308 0.784091
123 A4P 0.492188 0.880952
124 GTA 0.491935 0.855422
125 4UV 0.491803 0.960526
126 A2R 0.491228 0.896104
127 MAP 0.486957 0.8625
128 XNP 0.484848 0.936709
129 NAD 0.484848 0.921053
130 UPA 0.484375 0.948052
131 7MD 0.483871 0.833333
132 MYR AMP 0.483333 0.790698
133 NA7 0.483051 0.873418
134 YLY 0.477941 0.784091
135 ATR 0.477477 0.881579
136 LA8 ALF 3PG 0.476562 0.809524
137 ALF ADP 3PG 0.476562 0.809524
138 AOC 0.47619 0.792208
139 ATP A A A 0.47541 0.894737
140 BTX 0.473684 0.793103
141 5AS 0.472222 0.736264
142 TYR AMP 0.471545 0.873418
143 NAQ 0.471014 0.864198
144 ADP BMA 0.470588 0.884615
145 N0B 0.467626 0.835294
146 A A 0.466667 0.883117
147 A3D 0.466667 0.909091
148 NJP 0.466165 0.910256
149 IOT 0.465649 0.784091
150 AF3 ADP 3PG 0.465116 0.809524
151 PAP 0.464286 0.894737
152 NAE 0.463768 0.886076
153 7MC 0.461538 0.813953
154 DZD 0.459259 0.876543
155 ZID 0.457143 0.909091
156 TAD 0.456693 0.853659
157 2A5 0.455357 0.8375
158 62F 0.453947 0.833333
159 AHZ 0.453125 0.790698
160 FB0 0.452055 0.76087
161 JB6 0.45082 0.851852
162 ITT 0.45045 0.857143
163 7D4 0.45045 0.825
164 LPA AMP 0.449612 0.790698
165 G5A 0.447368 0.755556
166 M24 0.446043 0.843373
167 AVV 0.445378 0.841463
168 NAD IBO 0.444444 0.8625
169 NDC 0.442177 0.864198
170 ARG AMP 0.44186 0.781609
171 NSS 0.441667 0.775281
172 4TA 0.441176 0.890244
173 VMS 0.440678 0.764045
174 54H 0.440678 0.764045
175 7D3 0.440367 0.825
176 5CD 0.44 0.753247
177 PPS 0.439655 0.8
178 RAB 0.438776 0.789474
179 ADN 0.438776 0.789474
180 XYA 0.438776 0.789474
181 NDE 0.438356 0.897436
182 AR6 AR6 0.4375 0.883117
183 TSB 0.436975 0.793103
184 53H 0.436975 0.755556
185 DTA 0.436893 0.759494
186 A3P 0.436364 0.881579
187 A2P 0.436364 0.868421
188 A5A 0.435897 0.781609
189 FNK 0.435065 0.840909
190 ODP 0.433824 0.924051
191 SFG 0.433628 0.725
192 Z5A 0.433566 0.858824
193 6FA 0.433333 0.835294
194 SSA 0.432203 0.775281
195 J7C 0.431193 0.702381
196 DTP 0.431034 0.825
197 P5A 0.430894 0.723404
198 5N5 0.43 0.766234
199 DSZ 0.429752 0.775281
200 LSS 0.429752 0.73913
201 NAJ PYZ 0.429577 0.843373
202 52H 0.428571 0.755556
203 SFD 0.427632 0.731959
204 6AD 0.42735 0.831325
205 EP4 0.427184 0.707317
206 FDA 0.426667 0.870588
207 ARU 0.42623 0.788235
208 NVA LMS 0.42623 0.73913
209 6RE 0.425926 0.694118
210 A4D 0.425743 0.766234
211 5CA 0.425 0.775281
212 3DH 0.424528 0.725
213 AV2 0.423729 0.835443
214 LEU LMS 0.422764 0.73913
215 AMP DBH 0.421875 0.860759
216 DAT 0.421053 0.825
217 5X8 0.421053 0.7375
218 GSU 0.419355 0.755556
219 MTA 0.419048 0.725
220 3AT 0.418803 0.883117
221 DCA 0.41844 0.777778
222 ETB 0.41844 0.786517
223 FAS 0.418301 0.845238
224 FAD 0.418301 0.845238
225 A3N 0.418182 0.759494
226 F2N 0.417178 0.850575
227 7D5 0.415094 0.8
228 A U 0.414815 0.910256
229 YSA 0.414062 0.775281
230 NAD BBN 0.412903 0.835294
231 0T1 0.412587 0.777778
232 2AM 0.411215 0.857143
233 M2T 0.409524 0.690476
234 KAA 0.408 0.731183
235 7C5 0.407692 0.790123
236 3AM 0.407407 0.844156
237 AMP NAD 0.406897 0.873418
238 NAP 0.406897 0.909091
239 PUA 0.405594 0.9
240 FAY 0.405063 0.855422
241 P5F 0.404908 0.83908
242 EEM 0.403361 0.670455
243 COA 0.402778 0.777778
244 RFL 0.402516 0.816092
245 GJV 0.401786 0.686047
246 SA8 0.401709 0.686047
247 U A C C 0.401408 0.898734
248 G A A A 0.4 0.841463
249 WSA 0.4 0.784091
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1VL0; Ligand: NAI; Similar sites found: 345
This union binding pocket(no: 1) in the query (biounit: 1vl0.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4ZFL 4NK 0.002178 0.42202 None
2 1L5Y BEF 0.01811 0.41879 1.0274
3 2BH9 NAP 0.0002925 0.48121 1.36986
4 5KUT GDP 0.01335 0.4115 1.5873
5 4PVD NDP 0.000000351 0.56474 1.71233
6 3CIF G3H 0.0008129 0.44255 1.71233
7 3CIF NAD 0.001251 0.42675 1.71233
8 3HQP FDP 0.01258 0.41674 1.71233
9 3VPH NAD 0.0003774 0.40902 1.71233
10 3VPH OXM 0.0003012 0.40405 1.71233
11 1KYQ NAD 0.005039 0.42016 1.82482
12 1D7O NAD 0.000002254 0.46393 2.05479
13 5THY SAH 0.001795 0.42903 2.05479
14 2VHW NAI 0.002246 0.42555 2.05479
15 1PL6 NAD 0.002959 0.41977 2.05479
16 1HYH NAD 0.0003079 0.41967 2.05479
17 1PS9 FAD 0.004252 0.41932 2.05479
18 4OOE NDP 0.001116 0.4184 2.05479
19 4TM3 FAD 0.02075 0.40711 2.05479
20 2F1K NAP 0.001438 0.41484 2.15054
21 2PD4 DCN 0.00002064 0.44712 2.18182
22 2PD4 NAD 0.00002372 0.44569 2.18182
23 1DRV A3D 0.007093 0.40055 2.1978
24 1P77 ATR 0.002163 0.46555 2.20588
25 5T9E NAP 0.0007396 0.42606 2.21402
26 3AI3 SOL 0.03809 0.40011 2.28137
27 4JK3 NAD 0.002808 0.40367 2.3166
28 2VT3 ATP 0.0004158 0.48463 2.32558
29 2Q2V NAD 0.0000002551 0.58299 2.39726
30 3MJE NDP 0.00000008991 0.55208 2.39726
31 1V6A TRE 0.003391 0.45642 2.39726
32 3NJ4 NAD 0.01644 0.42892 2.39726
33 3NJ4 AFX 0.01644 0.42892 2.39726
34 3H9E NAD 0.001119 0.41888 2.39726
35 1UXG NAD 0.00004984 0.41657 2.39726
36 2YVF FAD 0.01707 0.40668 2.39726
37 3O03 NAP 0.00000002674 0.59653 2.4055
38 2VDV SAM 0.01859 0.40091 2.43902
39 4D42 W0I 0.000005705 0.55021 2.48227
40 4D42 NAP 0.000005705 0.55021 2.48227
41 3LU1 NAD 0.000000001729 0.61107 2.73973
42 4PIV NDP 0.0000001575 0.58748 2.73973
43 1EZ4 NAD 0.0000594 0.46766 2.73973
44 1LDN NAD 0.0001452 0.46747 2.73973
45 1O6Z NAD 0.0001472 0.46267 2.73973
46 4EUE NAI 0.0003912 0.41627 2.73973
47 1O0S NAI 0.004374 0.4063 2.73973
48 1FEC FAD 0.01142 0.40559 2.73973
49 1X14 NAD 0.01201 0.403 2.73973
50 1WMA NDP 0.0000003614 0.46 2.89855
51 1WMA AB3 0.0000003614 0.46 2.89855
52 4D79 ATP 0.005781 0.41393 2.89855
53 3AY6 NAI 0.00000002554 0.52074 2.97398
54 3AY6 BGC 0.00000008722 0.44814 2.97398
55 3OIG NAD 0.000006942 0.4981 3.00752
56 1GEE NAD 0.00000002064 0.57337 3.06513
57 1NFQ NAI 0.000000004989 0.65049 3.07692
58 1EQ2 NAP 0.00000008987 0.55117 3.08219
59 2X6T NAP 0.0000004879 0.52661 3.08219
60 3B1F NAD 0.0008142 0.43989 3.08219
61 1YS4 NAP 0.0008166 0.43983 3.08219
62 5MPT SAH 0.002413 0.4308 3.08219
63 1MUU NAD 0.0007709 0.43037 3.08219
64 1GAD NAD 0.0008732 0.42988 3.08219
65 1MV8 NAD 0.0008131 0.42445 3.08219
66 3UCL NAP 0.008594 0.42432 3.08219
67 4MIG G3F 0.00636 0.41816 3.08219
68 3UCL CYH 0.01207 0.4159 3.08219
69 3UCL FAD 0.01207 0.4159 3.08219
70 4D3F NAP 0.003419 0.41383 3.08219
71 5GZ6 NDP 0.004758 0.41097 3.08219
72 5HJM HSL 0.04796 0.40532 3.08219
73 2B4R AES 0.001299 0.40203 3.08219
74 3OID NDP 0.000000162 0.52058 3.10078
75 2B4Q NAP 0.0000002219 0.53789 3.26087
76 1HDR NAD 0.00001415 0.40128 3.27869
77 2BKA NDP 0.0000002623 0.54123 3.30579
78 5MSO NAP 0.0000000058 0.62194 3.42466
79 2IZ1 ATR 0.0007201 0.49394 3.42466
80 4Q9N NAI 0.000007238 0.47973 3.42466
81 1U1I NAD 0.00008267 0.42688 3.42466
82 1R37 NAD 0.006077 0.4054 3.42466
83 2AE2 NAP 0.0000001458 0.60546 3.46154
84 1X1T NAD 0.0000001673 0.52132 3.46154
85 2AE2 PTO 0.0000001458 0.48597 3.46154
86 3GU3 SAH 0.01368 0.41493 3.52113
87 2DKN NAI 0.00000003001 0.57507 3.52941
88 2DUR MAN MAN 0.004054 0.44876 3.55731
89 2HK9 ATR 0.001436 0.46364 3.63636
90 2HK9 NAP 0.003812 0.40293 3.63636
91 4N9Z V3L 0.008008 0.44143 3.63985
92 1AE1 NAP 0.0000009025 0.56058 3.663
93 4J1Q NDP 0.00000002194 0.61507 3.76712
94 4HXY NDP 0.00000004724 0.55471 3.76712
95 1ZBQ NAD 0.000001397 0.49621 3.76712
96 1SB8 NAD 0.000000008093 0.48177 3.76712
97 3HB5 NAP 0.00000001012 0.47327 3.76712
98 1SB8 UD2 0.000000006614 0.4681 3.76712
99 2PV7 NAD 0.0002874 0.43721 3.76712
100 5KKA 6V0 0.00007058 0.43677 3.76712
101 1V35 NAI 0.0000146 0.42668 3.76712
102 3I6I NDP 0.00006012 0.41549 3.76712
103 5H81 NAP 0.005197 0.40622 3.76712
104 1VI2 NAD 0.0062 0.403 3.76712
105 2DFV NAD 0.002595 0.40017 3.76712
106 1A27 NAP 0.0000001116 0.54833 3.80623
107 1NPD NAD 0.004442 0.40311 3.81944
108 2UYQ SAM 0.01338 0.42184 3.87097
109 5N2I NAP 0.001988 0.42714 3.87931
110 2G5C NAD 0.00153 0.4092 3.91459
111 4QED NAP 0.0000000251 0.57035 4.03226
112 1C3M MAN MAN 0.0179 0.41044 4.08163
113 2BD0 NAP 0.00000005799 0.54438 4.09836
114 9LDB NAD 0.00007477 0.44249 4.10959
115 9LDT NAD 0.00008226 0.44121 4.10959
116 2J5V PCA 0.009113 0.43345 4.10959
117 1V59 NAD 0.005996 0.42842 4.10959
118 1VKO NAD 0.0001765 0.42623 4.10959
119 1GQ2 NAP 0.001908 0.40544 4.10959
120 1MO9 FAD 0.03009 0.40447 4.10959
121 1ZEM NAD 0.000000005629 0.62248 4.19847
122 1Y1P NMN AMP PO4 0.0000009913 0.55573 4.45205
123 4W6Z 8ID 0.001001 0.44006 4.45205
124 1I0Z NAI 0.0001274 0.43921 4.45205
125 1E5Q NDP 0.0002907 0.43136 4.45205
126 4UCI SAM 0.003745 0.41878 4.45205
127 1CER NAD 0.001646 0.41383 4.45205
128 5CAE COA 0.004944 0.40123 4.45205
129 1LUA NAP 0.004193 0.41331 4.52962
130 1RP0 AHZ 0.00324 0.41415 4.57746
131 1E3W NAD 0.00000000187 0.60972 4.5977
132 2WYV NAD 0.00002825 0.46433 4.5977
133 4KCT FDP 0.0182 0.40493 4.60922
134 1E6W NAD 0.000000001473 0.613 4.61538
135 2F5Z FAD 0.00425 0.42125 4.6875
136 1F8G NAD 0.00642 0.40237 4.6875
137 2CDU ADP 0.001128 0.44965 4.79452
138 1LDM NAD 0.0001352 0.43821 4.79452
139 2BRY FAD 0.0009126 0.43789 4.79452
140 1I2B NAD 0.0000002131 0.43114 4.79452
141 1DJN ADP 0.001855 0.4216 4.79452
142 1O94 ADP 0.001583 0.42116 4.79452
143 3LAD FAD 0.008474 0.40762 4.79452
144 2O4C NAD 0.004562 0.40684 4.79452
145 2CFC NAD 0.000000006115 0.60142 4.8
146 1N5D NDP 0.0000001668 0.53641 4.86111
147 3AD8 FAD 0.01869 0.40799 4.92611
148 4FC7 COA 0.00000001302 0.49985 5.05415
149 4FC7 NAP 0.00000001302 0.49985 5.05415
150 3ICC NAP 0.0000001034 0.5328 5.09804
151 2F6U CIT 0.03055 0.4052 5.12821
152 1GZ6 NAI 0.00000049 0.5186 5.13699
153 3OA2 NAD 0.0004373 0.42385 5.13699
154 1NVT NAP 0.003512 0.40722 5.13699
155 4YCA NDP 0.002528 0.40561 5.13699
156 4QTU SAM 0.009313 0.40153 5.18518
157 4J7U YTZ 0.000004143 0.43439 5.20833
158 4J7U NAP 0.000004143 0.43439 5.20833
159 2GDZ NAD 0.000000009975 0.63365 5.24345
160 1OAA OAA 0.00000141 0.44271 5.40541
161 3VZS NAP 0.00000001826 0.48643 5.47945
162 5E8J SAH 0.001427 0.45388 5.47945
163 5E9W SAH 0.002567 0.44632 5.47945
164 3H8V ATP 0.001339 0.44215 5.47945
165 3OJO NAD 0.00131 0.42779 5.47945
166 2WPF WPF 0.0285 0.41221 5.47945
167 3VZS CAA 0.0000000664 0.41008 5.47945
168 1DSS NAD 0.00258 0.40964 5.47945
169 2WPF FAD 0.03306 0.40795 5.47945
170 2YVJ NAI 0.007241 0.40958 5.50459
171 2D2I NAP 0.004703 0.40211 5.52632
172 5D4V SAH 0.006489 0.40217 5.59701
173 1G0N PHH 0.00000004373 0.62906 5.65371
174 1G0N NDP 0.00000003424 0.62829 5.65371
175 3ZV6 NAD 0.00000006112 0.48964 5.69395
176 3ZV6 4HB 0.00000006681 0.4837 5.69395
177 1QG6 TCL 0.000011 0.42185 5.74713
178 1QG6 NAD 0.000011 0.42185 5.74713
179 2ZAT NAP 0.0000002343 0.53745 5.76923
180 1WDK NAD 0.001012 0.4324 5.82192
181 3V1Y NAD 0.001274 0.41654 5.82192
182 5ITV NAI 0.000000006751 0.58202 5.88235
183 3CH6 NAP 0.0000006809 0.41913 5.94406
184 3CH6 311 0.0000006809 0.41913 5.94406
185 4KOA NDP 0.01058 0.40551 6.00601
186 4NEC SAH 0.01564 0.4045 6.06061
187 4K26 NDP 0.0000006776 0.51313 6.15942
188 4K26 SFF 0.0000003956 0.47382 6.15942
189 2DT5 NAD 0.001245 0.40353 6.16114
190 1YXM ADE 0.000002057 0.633 6.16438
191 1Z6Z NAP 0.000003929 0.49339 6.16438
192 5L4S NAP 0.0000002885 0.48948 6.16438
193 5L4S 6KX 0.0000002885 0.48948 6.16438
194 1HDG NAD 0.001675 0.41706 6.16438
195 3B20 NAD 0.003928 0.40241 6.19469
196 2Q46 NAP 0.0000002187 0.54729 6.32411
197 2Q1S NAI 0.0000002019 0.60421 6.50685
198 5L53 NAP 0.0000001585 0.59492 6.50685
199 4U7W NDP 0.00000008319 0.56958 6.50685
200 1SOW NAD 0.00007323 0.4364 6.50685
201 4I5I 4I5 0.01159 0.41853 6.50685
202 1OMO NAD 0.002615 0.41238 6.50685
203 1C3V NDP 0.0005311 0.41026 6.50685
204 3GFB NAD 0.002349 0.40207 6.50685
205 1JAY NAP 0.0003068 0.4576 6.60377
206 3RJ5 NAD 0.00000006125 0.50601 6.69291
207 3SJ7 NDP 0.00000003429 0.57444 6.74603
208 4CQM NAP 0.0000000004442 0.63174 6.84932
209 4O1M NAD 0.000002595 0.50025 6.84932
210 2C29 DQH 0.00000009539 0.47384 6.84932
211 2C29 NAP 0.00000009539 0.47384 6.84932
212 3ABI NAD 0.00005249 0.45343 6.84932
213 1LVL NAD 0.001879 0.42818 6.84932
214 1XSE NDP 0.0000001133 0.48411 7.11864
215 1LSS NAD 0.00009377 0.48366 7.14286
216 1ZK4 NAP 0.0000001553 0.50605 7.17131
217 3RKR NAP 0.00003446 0.54403 7.19178
218 3SQP FAD 0.03573 0.4227 7.19178
219 3AB4 THR 0.01743 0.41372 7.19178
220 5KOK SAH 0.007984 0.40445 7.19178
221 2DTX BMA 0.000000003682 0.53323 7.19697
222 3NUG NAD 0.0000000004918 0.6889 7.28745
223 3WV8 ATP 0.007166 0.4065 7.33945
224 3QWI NAP 0.0000001317 0.53144 7.40741
225 3QWI CUE 0.0000001062 0.48185 7.40741
226 4K6B GLU 0.004919 0.4469 7.45342
227 5L95 AMP 0.001144 0.44119 7.5
228 1LTH NAD 0.00008403 0.47247 7.52351
229 1RKX NAD 0.000000006239 0.58661 7.53425
230 5LD5 NAD 0.000712 0.43865 7.53425
231 1NYT NAP 0.002809 0.40817 7.74908
232 1PR9 NAP 0.00000008873 0.60171 7.78689
233 3D3W NAP 0.0000001032 0.52471 7.78689
234 1HDO NAP 0.0000002465 0.51111 7.87671
235 1GUZ NAD 0.00005212 0.48211 7.87671
236 1GV0 NAD 0.00004422 0.45481 7.87671
237 2DC1 NAD 0.001412 0.41045 8.05085
238 3AFN NAP 0.000001306 0.55403 8.13953
239 5MDH NAD 0.000183 0.44324 8.21918
240 4MDH NAD 0.0002328 0.4397 8.21918
241 2CVQ NDP 0.0002649 0.43171 8.21918
242 4USR FAD 0.00392 0.41203 8.21918
243 3V1U NAD 0.00000004896 0.59617 8.56164
244 1A5Z NAD 0.0004433 0.45092 8.56164
245 5FA5 MTA 0.01283 0.40507 8.56164
246 1TDF NAP 0.02679 0.40319 8.56164
247 3H4V DVP 0.000001084 0.45051 8.68056
248 3H4V NAP 0.00000233 0.44531 8.68056
249 2A92 NAI 0.000448 0.41062 8.72274
250 1VL8 NAP 0.0000000679 0.53505 8.98876
251 3O26 NDP 0.00000006523 0.60079 9.00322
252 1TZD ADP 0.04494 0.40512 9.09091
253 1U7T NAD 0.000000005362 0.61258 9.1954
254 1U7T TDT 0.000000003659 0.51885 9.1954
255 2FR1 NDP 0.000000004051 0.58229 9.24658
256 2VUT NAD 0.007102 0.40353 9.30233
257 1O5I NAD 0.0002601 0.46915 10.0402
258 2RH4 EMO 0.000000005263 0.49536 10.1083
259 2EXX NAP 0.000571 0.40291 10.1307
260 1GEG NAD 0.00000001224 0.58231 10.1562
261 1XKQ NDP 0.0000001212 0.52413 10.3571
262 3KIF GDL 0.02053 0.41433 10.3774
263 1UZN NAP 0.00004191 0.43502 10.5263
264 1W8D NAP 0.000000008252 0.6337 10.6164
265 1W73 NAP 0.00000001155 0.62783 10.6164
266 1U8X NAD 0.003421 0.40064 10.6164
267 4FK7 P34 0.02337 0.4124 10.917
268 1W6U NAP 0.000000008652 0.63288 10.9589
269 1XHL NDP 0.0000001337 0.59242 10.9589
270 4N49 SAM 0.005328 0.40887 11.6438
271 3G2O SAM 0.002028 0.43415 11.7057
272 1SQF SAM 0.008563 0.40633 11.9863
273 1WVG APR 0.000001584 0.53652 12.6712
274 1Q7B NAP 0.000000005414 0.59337 12.7049
275 5TVI O8N 0.03217 0.41381 13.0435
276 1FK8 NAD 0.00000004012 0.59958 13.6187
277 3WXB NDP 0.00000004335 0.55395 13.6201
278 4BVA NDP 0.001491 0.42652 13.6986
279 4BVA T3 0.002753 0.42412 13.6986
280 5IN4 6CK 0.000001184 0.64102 14.0411
281 5IN4 NAP 0.000001209 0.64102 14.0411
282 5IN4 GDP 0.00000123 0.63927 14.0411
283 4ZA2 NAD 0.000000266 0.54431 14.0411
284 2WSB NAD 0.000000002831 0.67719 14.5669
285 2WD7 NAP 0.000001483 0.51533 15.0685
286 3JQ7 NAP 0.0000009793 0.5289 15.2778
287 4CLO NAP 0.000001138 0.52669 15.2778
288 3BMO NAP 0.000001245 0.51797 15.2778
289 3JQA NAP 0.000002022 0.51735 15.2778
290 3JQB NAP 0.000002038 0.51722 15.2778
291 3JQG NAP 0.000002115 0.51659 15.2778
292 4CM4 NAP 0.00000147 0.51547 15.2778
293 4CMI NAP 0.000001501 0.51513 15.2778
294 4CM8 NAP 0.000001473 0.515 15.2778
295 3BMQ NAP 0.000001013 0.51448 15.2778
296 3BMN NAP 0.0000009785 0.51444 15.2778
297 4CME NAP 0.000001627 0.51408 15.2778
298 3JQF NAP 0.000001044 0.51389 15.2778
299 3JQ8 NAP 0.000001063 0.51351 15.2778
300 4CLR NAP 0.000001724 0.51305 15.2778
301 4CM9 NAP 0.00000116 0.51223 15.2778
302 3JQ9 NAP 0.00000267 0.50018 15.2778
303 4TQG NDP 0.0000000103 0.59426 15.411
304 1GY8 NAD 0.00000002011 0.56773 15.411
305 3QV1 NAD 0.002405 0.41084 15.8537
306 1HYE NAP 0.0003927 0.44925 16.0959
307 1Z45 NAD 0.00000005557 0.55952 16.4384
308 1ORR NAD 0.00000000215 0.5838 16.7808
309 3OJF NDP 0.000003066 0.47131 16.7808
310 1OC2 TDX 0.00000001971 0.44606 16.7808
311 1OC2 NAD 0.00000001971 0.44606 16.7808
312 3OJF IMJ 0.000003485 0.44277 16.7808
313 1FWV SGA MAG FUC 0.02873 0.41116 17.9104
314 4NBT NAD 0.00000000491 0.60523 18.75
315 1H5Q NAP 0.000000002139 0.59769 18.8679
316 3KO8 NAD 0.000000004472 0.58176 19.1781
317 1EK6 NAI 0.0000000356 0.45101 19.5205
318 1EK6 UPG 0.00000009672 0.43622 19.5205
319 1VM6 NAD 0.003312 0.40534 19.7368
320 1RPN NDP 0.000000001014 0.56989 20.5479
321 1N7G GDR 0.00000006548 0.43452 20.5479
322 2C5A GDC 0.0000001422 0.44068 21.2329
323 2C5A NAD 0.0000001422 0.44068 21.2329
324 1J5P NAD 0.001152 0.41389 21.3439
325 4GLL NAD 0.00000001445 0.56407 21.9178
326 1R6D DAU 0.000000004663 0.68609 22.2603
327 1R6D NAD 0.0000000179 0.66219 22.2603
328 1UDB NAD 0.00000001075 0.4697 22.2603
329 2YY7 NAD 0.00000000156 0.6049 22.6027
330 1BXK NAD 0.000000002242 0.61757 22.9452
331 3A4V PYR 0.0000000001089 0.60135 22.9452
332 3A4V NAD 0.0000000001089 0.60135 22.9452
333 1KEW TYD 0.000000007655 0.47477 22.9452
334 1KEW NAD 0.00000000702 0.47117 22.9452
335 3ORF NAD 0.0000004371 0.53443 23.1076
336 2PZM NAD 0.00000008742 0.61959 23.2877
337 2PZM UDP 0.00000008742 0.61959 23.2877
338 4ZRN NAD 0.000000002919 0.57114 24.6575
339 4ZRN UPG 0.00000001013 0.47702 24.6575
340 1E7S NAP 0.0000001289 0.59307 25.6849
341 2HMT NAI 0.00002497 0.50312 26.3889
342 3RFV NAI 0.00000001489 0.59784 28.839
343 3RFV 15L 0.0000009143 0.53786 28.839
344 1EJ0 SAM 0.009121 0.40511 32.2222
345 2Q1W NAD 0.00000002872 0.55323 33.9041
Pocket No.: 2; Query (leader) PDB : 1VL0; Ligand: NAI; 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: 1vl0.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1VL0; Ligand: NAI; 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: 1vl0.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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