Receptor
PDB id Resolution Class Description Source Keywords
3O9Z 1.45 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE WLBA (WBPB) DEHYDROGENASE FROM THER THERMOPHILUS IN COMPLEX WITH NAD AND ALPHA-KETOGLUTARATE ATA NGSTROM RESOLUTION THERMUS THERMOPHILUS OXIDOREDUCTASE SUGAR BIOSYNTHESIS DEHYDROGENASE
Ref.: STRUCTURAL AND FUNCTIONAL STUDIES OF WLBA: A DEHYDR INVOLVED IN THE BIOSYNTHESIS OF 2,3-DIACETAMIDO-2,3-DIDEOXY-D-MANNURONIC ACID . BIOCHEMISTRY V. 49 7939 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG A:312;
B:312;
C:312;
D:312;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
146.098 C5 H6 O5 C(CC(...
CL A:313;
B:315;
C:314;
D:313;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
EDO B:313;
B:314;
C:313;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
NAD A:311;
B:311;
C:311;
D:311;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3O9Z 1.45 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE WLBA (WBPB) DEHYDROGENASE FROM THER THERMOPHILUS IN COMPLEX WITH NAD AND ALPHA-KETOGLUTARATE ATA NGSTROM RESOLUTION THERMUS THERMOPHILUS OXIDOREDUCTASE SUGAR BIOSYNTHESIS DEHYDROGENASE
Ref.: STRUCTURAL AND FUNCTIONAL STUDIES OF WLBA: A DEHYDR INVOLVED IN THE BIOSYNTHESIS OF 2,3-DIACETAMIDO-2,3-DIDEOXY-D-MANNURONIC ACID . BIOCHEMISTRY V. 49 7939 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3O9Z - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 3OA0 - HP7 C17 H25 N3 O18 P2 CC(=O)N[C@....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3O9Z - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 3OA0 - HP7 C17 H25 N3 O18 P2 CC(=O)N[C@....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3OA2 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 3O9Z - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 3OA0 - HP7 C17 H25 N3 O18 P2 CC(=O)N[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AKG; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 OOG 0.5 0.947368
3 69O 0.458333 0.714286
4 2IT 0.423077 0.615385
5 SHF 0.416667 0.666667
6 3PY 0.409091 0.652174
Ligand no: 2; Ligand: NAD; Similar ligands found: 220
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NAD IBO 0.845455 0.933333
3 NHD 0.821429 0.972222
4 NAP 0.811966 0.986111
5 NAJ PYZ 0.803419 0.910256
6 NFD 0.791304 0.946667
7 NXX 0.765766 0.972603
8 DND 0.765766 0.972603
9 ZID 0.737705 0.986111
10 NAQ 0.729508 0.934211
11 NAE 0.721311 0.959459
12 NA0 0.712 0.972603
13 TAP 0.704 0.921053
14 AMP NAD 0.696 0.945946
15 NDE 0.689922 0.972603
16 NAJ 0.683333 0.972222
17 NDC 0.679389 0.934211
18 NDO 0.674603 0.958904
19 N01 0.656 0.972222
20 CNA 0.642276 0.972603
21 NBP 0.621212 0.922078
22 NAD BBN 0.609929 0.876543
23 8ID 0.609756 0.922078
24 NAD CJ3 0.601399 0.845238
25 ADP MG 0.579439 0.918919
26 A2D 0.576923 0.958333
27 ADP 0.575472 0.931507
28 NGD 0.574803 0.922078
29 BEF ADP 0.574074 0.894737
30 ADP BEF 0.574074 0.894737
31 BA3 0.566038 0.958333
32 NAD NDT 0.565789 0.755319
33 M33 0.564815 0.918919
34 ADP PO3 0.563636 0.957747
35 B4P 0.560748 0.958333
36 AP5 0.560748 0.958333
37 ATP MG 0.558559 0.918919
38 AN2 0.555556 0.918919
39 GAP 0.553571 0.932432
40 OOB 0.551724 0.972222
41 CA0 0.550459 0.932432
42 ATP 0.545455 0.931507
43 ACP 0.545455 0.906667
44 NAD TDB 0.544872 0.70297
45 ADP ALF 0.54386 0.883117
46 ALF ADP 0.54386 0.883117
47 5FA 0.540541 0.931507
48 AQP 0.540541 0.931507
49 APR 0.540541 0.931507
50 AR6 0.540541 0.931507
51 ANP MG 0.53913 0.907895
52 VO4 ADP 0.53913 0.945205
53 ADP VO4 0.53913 0.945205
54 AGS 0.535714 0.883117
55 SAP 0.535714 0.883117
56 AD9 0.535714 0.906667
57 WAQ 0.533333 0.896104
58 ABM 0.53271 0.905405
59 00A 0.529412 0.921053
60 DLL 0.529412 0.972222
61 ANP 0.526316 0.906667
62 NJP 0.526316 0.959459
63 ACQ 0.526316 0.906667
64 OAD 0.525 0.932432
65 AMP MG 0.523364 0.905405
66 ADX 0.522523 0.839506
67 5AL 0.521739 0.945205
68 A1R 0.521008 0.871795
69 9SN 0.520325 0.909091
70 AMP 0.518868 0.930556
71 A 0.518868 0.930556
72 50T 0.517857 0.893333
73 ATF 0.517241 0.894737
74 DAL AMP 0.516949 0.945205
75 3OD 0.516393 0.932432
76 1ZZ 0.516393 0.851852
77 SON 0.513514 0.92
78 PRX 0.513274 0.881579
79 SRP 0.512821 0.92
80 ADP BMA 0.512397 0.932432
81 3UK 0.512397 0.958904
82 MYR AMP 0.512195 0.851852
83 NAJ PZO 0.510949 0.909091
84 NMN 0.509434 0.875
85 AMP DBH 0.507937 0.906667
86 A22 0.504202 0.945205
87 FA5 0.504 0.945946
88 ATP A A A 0.504 0.971831
89 TYR AMP 0.5 0.945946
90 8QN 0.5 0.945205
91 NAX 0.496183 0.886076
92 PR8 0.495935 0.8625
93 PAJ 0.495868 0.873418
94 4AD 0.495868 0.933333
95 AMO 0.495868 0.92
96 ADQ 0.495868 0.932432
97 A12 0.495495 0.894737
98 AP2 0.495495 0.894737
99 ALF ADP 3PG 0.492424 0.873418
100 LA8 ALF 3PG 0.492424 0.873418
101 AHZ 0.492308 0.851852
102 YAP 0.492063 0.933333
103 FYA 0.491935 0.918919
104 AHX 0.491803 0.884615
105 4UU 0.488372 0.933333
106 5SV 0.487603 0.8375
107 TAT 0.487179 0.894737
108 APC 0.486957 0.894737
109 SRA 0.486239 0.881579
110 NAI 0.484848 0.921053
111 6V0 0.484848 0.909091
112 GTA 0.484615 0.898734
113 A A 0.483871 0.958333
114 LAD 0.483871 0.873418
115 AU1 0.482456 0.906667
116 TXE 0.481203 0.921053
117 AF3 ADP 3PG 0.481203 0.873418
118 OMR 0.481203 0.841463
119 LAQ 0.480916 0.851852
120 G3A 0.48062 0.909091
121 TXA 0.48 0.92
122 NB8 0.48 0.884615
123 ME8 0.48 0.851852
124 BIS 0.48 0.871795
125 PTJ 0.48 0.884615
126 139 0.477941 0.886076
127 LPA AMP 0.477273 0.851852
128 AR6 AR6 0.476923 0.958333
129 G5P 0.476923 0.909091
130 AFH 0.476923 0.873418
131 25L 0.47619 0.945205
132 25A 0.47541 0.958333
133 DZD 0.47482 0.897436
134 TXD 0.473684 0.921053
135 4UV 0.472868 0.933333
136 TYM 0.470149 0.945946
137 ADV 0.470085 0.894737
138 RBY 0.470085 0.894737
139 ARG AMP 0.469697 0.841463
140 4TA 0.467626 0.864198
141 48N 0.466165 0.884615
142 XAH 0.465116 0.851852
143 4UW 0.462687 0.897436
144 M24 0.461538 0.886076
145 IOT 0.459854 0.821429
146 T5A 0.456522 0.853659
147 EAD 0.455782 0.886076
148 MAP 0.455285 0.883117
149 BT5 0.453901 0.821429
150 A4P 0.452555 0.833333
151 UP5 0.451852 0.933333
152 PAP 0.445378 0.917808
153 AP0 0.445255 0.884615
154 4TC 0.445255 0.909091
155 YLP 0.444444 0.831325
156 P1H 0.443709 0.864198
157 AOC 0.442478 0.810811
158 Z5A 0.439189 0.833333
159 2A5 0.436975 0.857143
160 G A A A 0.43662 0.909091
161 COD 0.43662 0.802326
162 ADJ 0.435714 0.841463
163 YLC 0.434783 0.851852
164 YLB 0.434783 0.831325
165 U A G G 0.433566 0.921053
166 ATR 0.433333 0.90411
167 7MD 0.432836 0.851852
168 G5A 0.429752 0.790698
169 PO4 PO4 A A A A PO4 0.429688 0.943662
170 TAD 0.42963 0.873418
171 5AS 0.42735 0.770115
172 BTX 0.426573 0.831325
173 YLA 0.425532 0.831325
174 DSZ 0.425197 0.790698
175 NCN 0.424779 0.805556
176 UPA 0.42446 0.921053
177 VMS 0.424 0.8
178 54H 0.424 0.8
179 N0B 0.422819 0.853659
180 6AD 0.422764 0.85
181 AYB 0.422535 0.821429
182 7D3 0.422414 0.844156
183 YLY 0.421769 0.821429
184 TSB 0.420635 0.809524
185 ODP 0.41958 0.922078
186 AV2 0.419355 0.855263
187 FB0 0.419355 0.775281
188 A5A 0.419355 0.819277
189 NNR 0.419048 0.739726
190 A A A 0.418605 0.918919
191 LEU LMS 0.418605 0.793103
192 649 0.417266 0.775281
193 NMN AMP PO4 0.416667 0.933333
194 SSA 0.416 0.790698
195 P5A 0.415385 0.755556
196 LSS 0.414062 0.772727
197 A2R 0.412698 0.918919
198 52H 0.412698 0.790698
199 JB6 0.412214 0.896104
200 5N5 0.411215 0.783784
201 YSA 0.410448 0.811765
202 5CA 0.409449 0.790698
203 53H 0.409449 0.790698
204 ITT 0.408333 0.878378
205 7D4 0.408333 0.844156
206 NA7 0.407692 0.894737
207 5CD 0.407407 0.794521
208 0WD 0.406897 0.909091
209 A3P 0.40678 0.930556
210 AVV 0.40625 0.860759
211 RAB 0.40566 0.808219
212 ADN 0.40566 0.808219
213 XYA 0.40566 0.808219
214 FDA 0.405063 0.823529
215 GSU 0.40458 0.790698
216 7MC 0.404255 0.831325
217 NSS 0.403101 0.811765
218 6FA 0.402516 0.853659
219 NVA LMS 0.4 0.793103
220 PPS 0.4 0.817073
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3O9Z; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3o9z.bio1) has 45 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3O9Z; Ligand: AKG; Similar sites found: 117
This union binding pocket(no: 2) in the query (biounit: 3o9z.bio1) has 45 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1CER NAD 0.0003115 0.46686 0.961538
2 1E3I CXF 0.0004973 0.43249 1.60256
3 1GZ6 NAI 0.002151 0.42106 1.60256
4 1TB4 PEJ 0.008094 0.40068 1.60256
5 2YYY NAP 0.00006251 0.40209 1.92308
6 1UXG NAD 0.0003705 0.40518 1.94175
7 3HAD NAD 0.0005999 0.41559 1.94805
8 2IXB A2G 0.00000008548 0.51722 2.24359
9 2IXB NAD 0.00000005882 0.49395 2.24359
10 1M2W NAD 0.003726 0.43045 2.24359
11 2ZJ1 ARJ 0.0004902 0.42036 2.24359
12 2ZJ1 NAD 0.0006042 0.41734 2.24359
13 2JHF NAD 0.007782 0.41308 2.24359
14 1NVM NAD 0.00009096 0.40312 2.24359
15 3A28 NAD 0.001374 0.43136 2.32558
16 1HKU NAD 0.0005476 0.44434 2.5641
17 1DLJ NAI 0.0004868 0.41953 2.5641
18 4OOE FOM 0.001642 0.41796 2.5641
19 4OOE NDP 0.001642 0.41796 2.5641
20 1OC2 TDX 0.0009637 0.41399 2.5641
21 1OC2 NAD 0.0009637 0.41399 2.5641
22 5TUF FAD 0.00364 0.40976 2.5641
23 1UDB NAD 0.001316 0.40608 2.5641
24 1DLJ UGA 0.001285 0.40555 2.5641
25 3SJU NDP 0.002209 0.4206 2.86738
26 3JV7 NAD 0.001533 0.42948 2.88462
27 4W6Z 8ID 0.0003105 0.40101 2.88462
28 3ZNN FAD 0.002494 0.40083 2.88462
29 3ZNN 4WL 0.002494 0.40083 2.88462
30 1GEE NAD 0.004942 0.40923 3.06513
31 1RM0 D6P 0.0002355 0.42901 3.20513
32 1RM0 NAI 0.0002695 0.42403 3.20513
33 4XYB NDP 0.001798 0.41675 3.20513
34 1J0X NAD 0.000851 0.40466 3.20513
35 5UAV TFB 0.0002535 0.40408 3.20513
36 5UAV NDP 0.0002535 0.40408 3.20513
37 3W54 RNB 0.03395 0.40078 3.20513
38 4K28 NAD 0.000005299 0.41599 3.34572
39 3BAZ NAP 0.0003683 0.46729 3.52564
40 3OND NAD 0.0003771 0.42128 3.52564
41 3OND ADN 0.0003771 0.42128 3.52564
42 1R6D DAU 0.001182 0.4085 3.52564
43 1R6D NAD 0.001308 0.40787 3.52564
44 1VKO NAD 0.0001066 0.4689 3.84615
45 1H9A NAP 0.00007905 0.41298 3.84615
46 4OPC PGT 0.005386 0.41146 3.84615
47 4OPC FDA 0.005222 0.40887 3.84615
48 1Q0H NDP 0.0007116 0.4122 4.16667
49 1Q0H FOM 0.0007005 0.41047 4.16667
50 2YVF NAD 0.001975 0.40724 4.16667
51 2YVF FAD 0.001954 0.40668 4.16667
52 1E6W NAD 0.0009234 0.43823 4.23077
53 3ZV6 4HB 0.0005901 0.40785 4.27046
54 3ZV6 NAD 0.0006188 0.40521 4.27046
55 2F1K NAP 0.00001551 0.41022 4.30108
56 5M67 3D1 0.0003131 0.42493 4.48718
57 5M67 NAD 0.0003316 0.4241 4.48718
58 3GD4 NAD 0.001228 0.42179 4.48718
59 5M67 ADE 0.0007384 0.41261 4.48718
60 3WQQ IB3 0.0005713 0.40666 4.48718
61 3WQQ NDP 0.0005713 0.40666 4.48718
62 5N53 8NB 0.0004717 0.52696 4.61538
63 3CIF G3H 0.000273 0.40023 4.73538
64 1HDG NAD 0.0003176 0.47002 4.80769
65 2GZ3 NAP 0.001408 0.40334 4.80769
66 4XQC 13D 0.0002429 0.42444 5.12821
67 4XQC NAD 0.0002712 0.42056 5.12821
68 2VHW NAI 0.0003069 0.40305 5.12821
69 1GR0 NAD 0.0001822 0.40251 5.12821
70 2DT5 NAD 0.00003954 0.40599 5.21327
71 5VN0 NAI 0.001761 0.43545 5.44872
72 3ABI NAD 0.000037 0.40703 5.44872
73 1U1I NAD 0.00009668 0.41184 5.76923
74 5JCJ NAP 0.00476 0.4123 6.25
75 1RPN NDP 0.002972 0.41316 6.41026
76 9LDT NAD 0.00009018 0.40334 6.41026
77 9LDB NAD 0.00009383 0.40312 6.41026
78 1CM0 COA 0.03889 0.4038 6.54762
79 1KEW NAD 0.001605 0.40321 6.73077
80 1BW9 NAD 0.0000546 0.51561 7.05128
81 1C1X NAD 0.0002657 0.46974 7.05128
82 1CF2 NAP 0.00001053 0.41471 7.05128
83 2DTX BMA 0.0002955 0.41007 7.19697
84 5JE8 NAD 0.0001589 0.48279 7.28477
85 3GFB NAD 0.00006193 0.49227 7.37179
86 2B5W NAP 0.0008333 0.42676 7.37179
87 3NJ4 NAD 0.006283 0.41221 7.37179
88 3NJ4 AFX 0.006885 0.41073 7.37179
89 1U8X NAD 0.004072 0.42023 7.62712
90 3GGO NAI 0.0001354 0.42611 7.69231
91 3GGO ENO 0.0001354 0.42611 7.69231
92 5KKA 6V0 0.000101 0.40455 8.33333
93 3VPH OXM 0.0001274 0.41258 8.3871
94 4J4H 1J1 0.0005275 0.4155 8.49421
95 4J4H NAI 0.0005275 0.4155 8.49421
96 2G5C NAD 0.000073 0.40298 8.54093
97 1VL8 NAP 0.002156 0.41614 8.61423
98 2PV7 NAD 0.00002741 0.40715 9.39597
99 4ZVV NAD 0.000691 0.4213 9.61539
100 4ZVV GN0 0.000691 0.4213 9.61539
101 1C3V NDP 0.00003296 0.4168 11.0204
102 1SB8 UD2 0.001481 0.40523 11.5385
103 1SB8 NAD 0.001268 0.40393 11.5385
104 4YCA NDP 0.0006344 0.45397 11.5646
105 2Q1S NAI 0.0005153 0.41155 11.859
106 3RC1 NAP 0.0000004683 0.49299 16.3462
107 3RC1 TLO 0.0000004325 0.48435 16.3462
108 5A04 NDP 0.000001091 0.51332 19.2308
109 5A04 BGC 0.000001569 0.51332 19.2308
110 1BDB NAD 0.0004789 0.44097 19.8556
111 1ZH8 NAP 0.0000000048 0.50821 22.0588
112 1RYD NDP 0.0000008584 0.48166 23.7179
113 1H6C NDP 0.000001126 0.47742 23.7179
114 1H6C SIN 0.000002469 0.47342 23.7179
115 4L8V NAP 0.0000002998 0.47201 25.3205
116 2GLX NDP 0.00000006936 0.46529 27.2436
117 4KOA NDP 0.000001218 0.40357 28.2051
Pocket No.: 3; Query (leader) PDB : 3O9Z; Ligand: NAD; Similar sites found: 141
This union binding pocket(no: 3) in the query (biounit: 3o9z.bio1) has 46 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1CER NAD 0.0001625 0.47974 0.961538
2 3QJ4 FAD 0.002847 0.40174 0.961538
3 1E3I CXF 0.0001698 0.45054 1.60256
4 1GZ6 NAI 0.002381 0.42027 1.60256
5 1LDN NAD 0.00002935 0.41578 1.60256
6 1TB4 PEJ 0.003748 0.41493 1.60256
7 1EZ4 NAD 0.00002749 0.40054 1.60256
8 1V8B NAD 0.0002141 0.40418 1.92308
9 1UXG NAD 0.00009209 0.42056 1.94175
10 3HAD NAD 0.0006358 0.41276 1.94805
11 1J5P NAD 0.00003313 0.40229 1.97628
12 2IXB A2G 0.00000003276 0.52533 2.24359
13 2IXB NAD 0.0000000121 0.50846 2.24359
14 1M2W NAD 0.00273 0.43733 2.24359
15 2JHF NAD 0.004744 0.41965 2.24359
16 2ZJ1 NAD 0.0006635 0.414 2.24359
17 2ZJ1 ARJ 0.0006867 0.41351 2.24359
18 1NVM NAD 0.00008675 0.40035 2.24359
19 1BZL FAD 0.007981 0.40015 2.24359
20 3A28 NAD 0.0009352 0.439 2.32558
21 1HKU NAD 0.0001988 0.46265 2.5641
22 1DLJ NAI 0.0003971 0.42039 2.5641
23 4OOE NDP 0.001431 0.41823 2.5641
24 4OOE FOM 0.001431 0.41823 2.5641
25 1OC2 TDX 0.000645 0.41788 2.5641
26 1OC2 NAD 0.000645 0.41788 2.5641
27 5TUF FAD 0.002505 0.41696 2.5641
28 1UDB NAD 0.0009847 0.40836 2.5641
29 1DLJ UGA 0.0009837 0.40748 2.5641
30 1D1T NAD 0.00008481 0.40515 2.5641
31 2GMH FAD 0.001895 0.40196 2.5641
32 3SJU NDP 0.001282 0.43084 2.86738
33 3JV7 NAD 0.0005585 0.44794 2.88462
34 1T26 NAI 0.0002274 0.41793 2.88462
35 4W6Z 8ID 0.0001188 0.41104 2.88462
36 2O4C NAD 0.00005226 0.40572 2.88462
37 2A92 NAI 0.0001006 0.40455 2.88462
38 1GEE NAD 0.002667 0.42084 3.06513
39 4XYB NDP 0.0008405 0.43012 3.20513
40 1RM0 NAI 0.0001753 0.4279 3.20513
41 1RM0 D6P 0.0002378 0.4267 3.20513
42 5UAV NDP 0.00008059 0.4158 3.20513
43 5UAV TFB 0.00008059 0.4158 3.20513
44 1J0X NAD 0.0005788 0.40714 3.20513
45 3W54 RNB 0.02876 0.40512 3.20513
46 4PLG NAI 0.0001402 0.41255 3.29341
47 4K28 NAD 0.00000254 0.42241 3.34572
48 3BAZ NAP 0.0001428 0.48586 3.52564
49 3OND ADN 0.0004773 0.41586 3.52564
50 3OND NAD 0.0004773 0.41586 3.52564
51 1R6D DAU 0.0007594 0.41296 3.52564
52 1R6D NAD 0.0008561 0.4121 3.52564
53 1VKO NAD 0.00009585 0.47181 3.84615
54 1H9A NAP 0.00003429 0.42001 3.84615
55 4OPC PGT 0.004949 0.41121 3.84615
56 4OPC FDA 0.004976 0.40802 3.84615
57 3WLE NAD 0.0001313 0.41114 4.16667
58 2YVF FAD 0.001403 0.40974 4.16667
59 2YVF NAD 0.001521 0.40929 4.16667
60 1LLU NAD 0.0001402 0.40255 4.16667
61 4MDH NAD 0.0000498 0.4013 4.16667
62 1E6W NAD 0.0005096 0.44953 4.23077
63 3ZV6 4HB 0.0003313 0.41307 4.27046
64 3ZV6 NAD 0.0003661 0.40935 4.27046
65 2F1K NAP 0.000008185 0.41458 4.30108
66 5M67 NAD 0.0003963 0.41946 4.48718
67 5M67 3D1 0.0003973 0.41942 4.48718
68 3GD4 NAD 0.002507 0.40913 4.48718
69 5M67 ADE 0.0008567 0.40853 4.48718
70 2GN4 UD1 0.007661 0.40384 4.48718
71 5N53 8NB 0.0004789 0.52757 4.61538
72 1HDG NAD 0.0003713 0.46819 4.80769
73 2GZ3 NAP 0.0004249 0.41847 4.80769
74 2DFV NAD 0.00001879 0.40887 4.80769
75 4XQC 13D 0.0001454 0.42823 5.12821
76 4XQC NAD 0.0001584 0.42457 5.12821
77 1GR0 NAD 0.00004581 0.41725 5.12821
78 3R75 PYR 0.04294 0.41508 5.12821
79 2CVQ NDP 0.00001991 0.41087 5.12821
80 2VHW NAI 0.0001985 0.40663 5.12821
81 4ZRN UPG 0.001035 0.40586 5.12821
82 4ZRN NAD 0.0001385 0.4032 5.12821
83 2DT5 NAD 0.000006314 0.42597 5.21327
84 5VN0 NAI 0.000962 0.44741 5.44872
85 3ABI NAD 0.00001726 0.4134 5.44872
86 1SOW NAD 0.00008504 0.40423 5.44872
87 1U1I NAD 0.0001185 0.40631 5.76923
88 4NSQ COA 0.03123 0.40336 5.78947
89 2I3G NAP 0.00007979 0.40196 6.08974
90 5JCJ NAP 0.003306 0.41963 6.25
91 1RPN NDP 0.001685 0.42363 6.41026
92 9LDB NAD 0.00002887 0.41542 6.41026
93 9LDT NAD 0.00002911 0.41505 6.41026
94 1CM0 COA 0.03873 0.40467 6.54762
95 1RKX NAD 0.003411 0.41413 6.73077
96 1KEW NAD 0.001065 0.40724 6.73077
97 2WPF WPF 0.007519 0.40198 6.73077
98 2WPF FAD 0.007488 0.40069 6.73077
99 1BW9 NAD 0.00002919 0.52895 7.05128
100 1C1X NAD 0.0001572 0.48035 7.05128
101 1CF2 NAP 0.000004927 0.42058 7.05128
102 2DTX BMA 0.0003893 0.40295 7.19697
103 5JE8 NAD 0.00008722 0.49497 7.28477
104 3GFB NAD 0.00001535 0.51836 7.37179
105 2B5W NAP 0.0004741 0.43683 7.37179
106 3NJ4 NAD 0.005308 0.41336 7.37179
107 3NJ4 AFX 0.008942 0.40496 7.37179
108 1HYH NAD 0.00007487 0.40297 7.44337
109 1U8X NAD 0.004268 0.42029 7.62712
110 3GGO NAI 0.00008758 0.429 7.69231
111 3GGO ENO 0.00008758 0.429 7.69231
112 1GUZ NAD 0.00004194 0.40405 7.74194
113 5KKA 6V0 0.00002664 0.41963 8.33333
114 3VPH OXM 0.00002798 0.42881 8.3871
115 3VPH NAD 0.00008806 0.40883 8.3871
116 4J4H NAI 0.000388 0.41779 8.49421
117 4J4H 1J1 0.000388 0.41779 8.49421
118 2G5C NAD 0.00004696 0.4061 8.54093
119 1VL8 NAP 0.001305 0.4254 8.61423
120 1GV0 NAD 0.00004885 0.40519 8.70968
121 2PV7 NAD 0.0000135 0.41321 9.39597
122 4ZVV NAD 0.0002801 0.4325 9.61539
123 4ZVV GN0 0.0002801 0.4325 9.61539
124 1YKJ FAD 0.002481 0.40281 9.61539
125 1YKJ PHB 0.002481 0.40281 9.61539
126 1C3V NDP 0.00001929 0.42072 11.0204
127 1SB8 NAD 0.0008352 0.40796 11.5385
128 1SB8 UD2 0.001094 0.40773 11.5385
129 4YCA NDP 0.0004534 0.46109 11.5646
130 2Q1S NAI 0.000257 0.41796 11.859
131 3RC1 NAP 0.0000002618 0.49462 16.3462
132 3RC1 TLO 0.0000007727 0.4708 16.3462
133 5A04 BGC 0.0000002986 0.53457 19.2308
134 5A04 NDP 0.0000002016 0.53457 19.2308
135 1BDB NAD 0.0002663 0.45171 19.8556
136 1ZH8 NAP 0.000000001914 0.5143 22.0588
137 1RYD NDP 0.0000001476 0.49991 23.7179
138 1H6C NDP 0.0000001873 0.49683 23.7179
139 1H6C SIN 0.0000003755 0.49401 23.7179
140 4L8V NAP 0.0000001173 0.47819 25.3205
141 2GLX NDP 0.00000002958 0.47118 27.2436
Pocket No.: 4; Query (leader) PDB : 3O9Z; Ligand: NAD; 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: 3o9z.bio1) has 44 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3O9Z; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3o9z.bio1) has 45 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3O9Z; Ligand: AKG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3o9z.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3O9Z; Ligand: AKG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3o9z.bio1) has 45 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3O9Z; Ligand: AKG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3o9z.bio1) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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