Receptor
PDB id Resolution Class Description Source Keywords
5DN9 1.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CANDIDA BOIDINII FORMATE DEHYDROGENASE WITH NAD+ AND AZIDE CANDIDA BOIDINII TRANSITION STATE TERNARY COMPLEX OXIDOREDUCTASE
Ref.: STRUCTURAL AND KINETIC STUDIES OF FORMATE DEHYDROGE CANDIDA BOIDINII. BIOCHEMISTRY V. 55 2760 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD A:501;
B:501;
Valid;
Valid;
none;
none;
Kd = 92 uM
663.425 C21 H27 N7 O14 P2 c1cc(...
AZI A:502;
B:502;
Invalid;
Invalid;
none;
none;
submit data
42.02 N3 [N-]=...
CL B:503;
A:503;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DN9 1.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF CANDIDA BOIDINII FORMATE DEHYDROGENASE WITH NAD+ AND AZIDE CANDIDA BOIDINII TRANSITION STATE TERNARY COMPLEX OXIDOREDUCTASE
Ref.: STRUCTURAL AND KINETIC STUDIES OF FORMATE DEHYDROGE CANDIDA BOIDINII. BIOCHEMISTRY V. 55 2760 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5DN9 Kd = 92 uM NAD C21 H27 N7 O14 P2 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 1068 families.
1 5DN9 Kd = 92 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4XYE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 4XYB - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
3 5DN9 Kd = 92 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 2GSD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 2NAD Ki = 0.1 uM NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; 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 : 5DN9; Ligand: NAD; Similar sites found: 472
This union binding pocket(no: 1) in the query (biounit: 5dn9.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3G5S FAD 0.0002815 0.44159 1.0989
2 1LJ8 NAD 0.001402 0.44019 1.37363
3 1M2W NAD 0.002448 0.4265 1.37363
4 1YB5 NAP 0.000276 0.43244 1.4245
5 3QJ4 FAD 0.000387 0.40954 1.46199
6 1RPN NDP 0.002396 0.40478 1.49254
7 5GT9 NAP 0.0003704 0.42556 1.52091
8 1A4R GNH 0.007242 0.42223 1.57068
9 1C3V NDP 0.0109 0.40306 1.63265
10 1GQ2 NAP 0.00001068 0.47108 1.64835
11 4RQU NAD 0.00001342 0.46966 1.64835
12 4TXI FAD 0.0005089 0.42965 1.64835
13 4A0S NAP 0.0007868 0.4254 1.64835
14 4QS9 BGC 0.01703 0.42298 1.64835
15 4OOE NDP 0.001985 0.42116 1.64835
16 1EBF NAD 0.0000006224 0.49359 1.67598
17 2X6T NAP 0.0003733 0.42208 1.68067
18 1LLU NAD 0.00000272 0.51125 1.75439
19 1SOW NAD 0.01007 0.40564 1.82927
20 3OFK SAH 0.01202 0.41192 1.85185
21 4UP3 FAD 0.003019 0.40665 1.91083
22 1CDO NAD 0.000156 0.46549 1.92308
23 3AYI FAD 0.0005086 0.44672 1.92308
24 3AYI HCI 0.000536 0.44672 1.92308
25 5U8U FAD 0.001188 0.44096 1.92308
26 2WET FAD 0.0006538 0.43265 1.92308
27 4J56 FAD 0.001326 0.42416 1.92308
28 1COY FAD 0.003749 0.40412 1.92308
29 1EQ2 NAP 0.0003759 0.44047 1.93548
30 3CIF NAD 0.000006883 0.47805 1.94986
31 3CIF G3H 0.0000806 0.45892 1.94986
32 1R37 NAD 0.009258 0.40944 2.01729
33 4YCA NDP 0.000046 0.48677 2.04082
34 4RDH AMP 0.00002103 0.54673 2.08333
35 4RDI ATP 0.00005271 0.40225 2.08333
36 2F1K NAP 0.000008283 0.51665 2.15054
37 4D79 ATP 0.000008342 0.55312 2.17391
38 5UAV TFB 0.000005829 0.50237 2.17391
39 5UAV NDP 0.000005829 0.50237 2.17391
40 1D1T NAD 0.0000194 0.48207 2.1978
41 1QO8 FAD 0.000777 0.43091 2.1978
42 4CNK FAD 0.0008959 0.42416 2.1978
43 5EOW FAD 0.0008132 0.41497 2.1978
44 5UAO FAD 0.001583 0.41496 2.1978
45 2V6G NAP 0.001655 0.41327 2.1978
46 4YNU LGC 0.004652 0.40693 2.1978
47 4YNU FAD 0.003764 0.40693 2.1978
48 3K8L CEX 0.03194 0.40655 2.1978
49 4EUE NAI 0.002513 0.40401 2.1978
50 4R5M 4NO 0.001547 0.40364 2.1978
51 3A4V NAD 0.0006113 0.41308 2.2082
52 3A4V PYR 0.0006113 0.41308 2.2082
53 1NFQ NAI 0.001448 0.40764 2.30769
54 3QWB NDP 0.002289 0.40798 2.39521
55 4J7U NAP 0.000936 0.42786 2.43056
56 4J7U YTZ 0.000936 0.42786 2.43056
57 1L1E SAH 0.01272 0.40756 2.43902
58 1P0F NAP 0.00004306 0.46229 2.47253
59 5JCA NDP 0.001637 0.43326 2.47253
60 5JCA FAD 0.0007168 0.43223 2.47253
61 1PN0 IPH 0.001787 0.42294 2.47253
62 1PN0 FAD 0.001694 0.42294 2.47253
63 2RGJ FAD 0.0009348 0.41728 2.47253
64 1B4N GUA 0.02757 0.41615 2.47253
65 3E1T FAD 0.002338 0.41384 2.47253
66 3NTD FAD 0.002134 0.41014 2.47253
67 2Z49 AMG 0.03839 0.40757 2.47253
68 4MIG G3F 0.005351 0.40459 2.47253
69 2I7C AAT 0.0009056 0.41343 2.4735
70 1Z6Z NAP 0.001596 0.40145 2.48227
71 3AB1 FAD 0.0005736 0.43367 2.5
72 1K3T BRZ 0.0002667 0.43709 2.50696
73 5LD5 NAD 0.000002072 0.55653 2.51397
74 1BXK NAD 0.0003296 0.4458 2.53521
75 2HK9 ATR 0.00004848 0.54878 2.54545
76 2HK9 NAP 0.0001323 0.46837 2.54545
77 5CAE COA 0.000007728 0.52733 2.55591
78 5CAE SIN 0.0000562 0.46169 2.55591
79 5T9F TYR 0.00009553 0.45896 2.58303
80 5T9F NAP 0.0000965 0.45745 2.58303
81 5T9E NAP 0.00008947 0.43202 2.58303
82 3HAD NAD 0.0001456 0.46485 2.5974
83 1YJQ NAP 0.00006019 0.46061 2.64026
84 1ZEM NAD 0.0001232 0.4696 2.67176
85 2Q1W NAD 0.0006053 0.42414 2.7027
86 4NBW NAD 0.003501 0.40857 2.72374
87 1O8B ABF 0.01377 0.42784 2.73973
88 3ICT ADP 0.000004277 0.59445 2.74725
89 1U1I NAD 0.00001963 0.47989 2.74725
90 1YQD NAP 0.000305 0.43497 2.74725
91 1N9G NAP 0.001566 0.42832 2.74725
92 1YQZ FAD 0.0021 0.42751 2.74725
93 4JBI NDP 0.002092 0.42318 2.74725
94 2IVD FAD 0.0005298 0.41361 2.74725
95 4PIV NDP 0.002317 0.40778 2.74725
96 3ICS ADP 0.000004487 0.40699 2.74725
97 3LXD FAD 0.00115 0.40584 2.74725
98 2X3N FAD 0.0007433 0.40432 2.74725
99 3ICS FAD 0.003653 0.40145 2.74725
100 2Q7V FAD 0.0006866 0.43186 2.76923
101 1F06 2NP 0.0005071 0.42829 2.8125
102 1F06 NDP 0.0005071 0.42829 2.8125
103 5T2U NAP 0.00234 0.40277 2.82258
104 4REP FAD 0.0004644 0.43595 2.82828
105 2ZB3 NDP 0.0008141 0.43057 2.83286
106 2DFV NAD 0.000002243 0.48993 2.88184
107 4D3F NAP 0.000009235 0.44776 2.90323
108 1DIG L37 0.001988 0.40535 2.94118
109 4L8V NAP 0.00001964 0.46596 2.96736
110 1V59 NAD 0.0004716 0.49279 3.02198
111 2CDC XYP 0.0001232 0.48026 3.02198
112 2CDC XYS 0.0001972 0.4721 3.02198
113 2CDC NAP 0.0001972 0.4721 3.02198
114 3GD4 NAD 0.0003081 0.46461 3.02198
115 2WPF WPF 0.002234 0.44533 3.02198
116 2WPF FAD 0.002236 0.44385 3.02198
117 1U8X NAD 0.0007758 0.43753 3.02198
118 5JWC FAD 0.0002278 0.43025 3.02198
119 3GDN FAD 0.001423 0.42099 3.02198
120 3GRU AMP 0.002069 0.4296 3.05085
121 1X7D ORN 0.00003587 0.47471 3.14286
122 1X7D NAD 0.00001491 0.46656 3.14286
123 1M0S CIT 0.005285 0.44963 3.19635
124 2Q0L NAP 0.001499 0.45848 3.21543
125 1HYH NAD 0.0000006702 0.54064 3.23625
126 1FEC FAD 0.000348 0.4483 3.2967
127 1D4D FAD 0.0006189 0.4357 3.2967
128 2CDU FAD 0.0004016 0.43462 3.2967
129 2Z3Y F2N 0.0007866 0.43175 3.2967
130 1E1M NAP 0.001324 0.43143 3.2967
131 1E1M FAD 0.001324 0.43143 3.2967
132 5BUK FAD 0.0008666 0.43118 3.2967
133 4M52 FAD 0.001029 0.4263 3.2967
134 2CDU ADP 0.00001588 0.41624 3.2967
135 4BV6 FAD 0.002064 0.41387 3.2967
136 5T52 A2G 0.04221 0.40211 3.30579
137 2DT5 NAD 0.0000005863 0.55247 3.31754
138 4K28 NAD 0.0000009032 0.56057 3.34572
139 2HJR APR 0.000001395 0.56381 3.35366
140 5FI3 NAP 0.0001097 0.46088 3.36134
141 2WIC GNP 0.03225 0.4011 3.37079
142 3WGT QSC 0.0008075 0.43622 3.45821
143 3WGT FAD 0.0007633 0.43622 3.45821
144 1ORR NAD 0.0006381 0.42331 3.45821
145 3A28 NAD 0.001563 0.41685 3.48837
146 5X20 NAD 0.00002603 0.44418 3.52564
147 1ZH8 NAP 0.0002514 0.45371 3.52941
148 4XDY NAI 0.0003054 0.45378 3.5503
149 1V8B NAD 0.0000009346 0.53167 3.57143
150 3ABI NAD 0.000002691 0.52232 3.57143
151 1E5Q NDP 0.00006128 0.47415 3.57143
152 3UCL NAP 0.000419 0.46123 3.57143
153 1E3I CXF 0.00002589 0.45907 3.57143
154 3UCL FAD 0.001016 0.44367 3.57143
155 3UCL CYH 0.001016 0.44367 3.57143
156 5G3U FDA 0.0004724 0.43449 3.57143
157 4EMI NAD 0.002491 0.42531 3.57143
158 5G3U ITW 0.00169 0.42016 3.57143
159 1O9P MLA 0.02209 0.41702 3.57143
160 4EMI FAD 0.001984 0.41132 3.57143
161 2B9W FAD 0.006252 0.40664 3.57143
162 3CMC NAD 0.00007821 0.48894 3.59281
163 2DM6 IMN 0.0002731 0.44455 3.6036
164 2DM6 NAP 0.0005562 0.43185 3.6036
165 4DPL NAP 0.0001906 0.45173 3.62117
166 3WMX NAD 0.0004086 0.44871 3.63128
167 2JAH NDP 0.001725 0.4126 3.64372
168 1ZBQ NAD 0.001642 0.41085 3.66972
169 3ZNN 4WL 0.001066 0.43757 3.7464
170 3ZNN FAD 0.001066 0.43757 3.7464
171 1LDN NAD 0.0000007802 0.52109 3.79747
172 3WLE NAD 0.00003209 0.45518 3.81232
173 2YN4 39J 0.04366 0.40442 3.81356
174 5KKA 6V0 0.000005972 0.49334 3.84615
175 4J36 1HR 0.0002681 0.44945 3.84615
176 4J36 FAD 0.0001274 0.44876 3.84615
177 2YY7 NAD 0.0001759 0.4376 3.84615
178 4RPL FAD 0.01105 0.40159 3.84615
179 4RPL 3UC 0.01234 0.40149 3.84615
180 3KLJ FAD 0.0003226 0.43409 3.8961
181 5ITV NAI 0.0005592 0.41961 3.92157
182 1J5P NAD 0.003197 0.4203 3.95257
183 1O6Z NAD 0.000006468 0.46285 3.9604
184 5BSH PRO 0.000592 0.42144 3.97112
185 2JAP NDP 0.001532 0.41453 4.04858
186 2PK3 A2R 0.0007612 0.4594 4.04984
187 5U5G NAP 0.000011 0.50309 4.0678
188 1EZ4 NAD 0.000001675 0.49096 4.08805
189 1UWK URO 0.00007586 0.47249 4.12088
190 1UWK NAD 0.00007586 0.47249 4.12088
191 2GZ3 NAP 0.0003053 0.45248 4.12088
192 2VVM FAD 0.0007225 0.42992 4.12088
193 3CGD NAD 0.005013 0.42255 4.12088
194 3CGD COA 0.005013 0.42255 4.12088
195 3CGD FAD 0.005013 0.42255 4.12088
196 4B7X NAP 0.00003506 0.46914 4.16667
197 5AYV NAP 0.000004655 0.45936 4.20712
198 5AYV KPL 0.0001053 0.45467 4.20712
199 3SJK LYS PRO VAL LEU ARG THR ALA 0.01953 0.42464 4.21053
200 1J0X NAD 0.00008605 0.46814 4.21687
201 4PLT OXM 0.000004966 0.42003 4.22961
202 4PLT NAI 0.000005573 0.41291 4.22961
203 5J60 FAD 0.0007573 0.42915 4.375
204 3QVP FAD 0.0007372 0.43282 4.3956
205 2E5V FAD 0.001131 0.42578 4.3956
206 2R4J 13P 0.001954 0.42402 4.3956
207 2R4J FAD 0.001954 0.42402 4.3956
208 2V3A FAD 0.0004419 0.40921 4.3956
209 3FG2 FAD 0.00188 0.40623 4.3956
210 1N4W FAD 0.005089 0.40102 4.3956
211 1FWV SGA MAG FUC 0.002375 0.4737 4.47761
212 4BVA NDP 0.00008432 0.46182 4.47761
213 4BVA T3 0.0004298 0.40953 4.47761
214 1RKX NAD 0.001218 0.41827 4.48179
215 1LUA NAP 0.0007362 0.45607 4.52962
216 5JE8 NAD 0.0000004051 0.57478 4.63576
217 1OBB NAD 0.0001348 0.47574 4.67033
218 5TUK FAD 0.001719 0.42076 4.67033
219 4G74 FAD 0.0004095 0.41755 4.67033
220 5TUF FAD 0.002573 0.40363 4.67033
221 4HA6 FAD 0.004844 0.40184 4.67033
222 5L4S NAP 0.002515 0.40638 4.71698
223 5L4S 6KX 0.002515 0.40638 4.71698
224 3V1Y NAD 0.000004162 0.52864 4.74777
225 4PLG NAI 0.009618 0.412 4.79042
226 4PLG OXM 0.009618 0.412 4.79042
227 3EGI ADP 0.01505 0.43022 4.85437
228 3B6O TMP 0.03504 0.41035 4.8583
229 5GZ6 NDP 0.0001186 0.4909 4.90798
230 5GZ6 7C3 0.0001958 0.47295 4.90798
231 2BD0 NAP 0.002019 0.40256 4.91803
232 2B4R NAD 0.00001087 0.47974 4.92754
233 2B4R AES 0.00003581 0.45748 4.92754
234 4JJF N2I 0.0001877 0.43254 4.94186
235 4JJF FE9 0.0001217 0.43184 4.94186
236 1WDK NAD 0.00002251 0.51269 4.94506
237 2D2I NAP 0.00002693 0.5094 4.94506
238 3S5W NAP 0.002903 0.44479 4.94506
239 3S5W FAD 0.0007657 0.42584 4.94506
240 1GET FAD 0.004315 0.41922 4.94506
241 1PS9 FAD 0.002102 0.41358 4.94506
242 1GET NAP 0.006554 0.41318 4.94506
243 4RSL FAD 0.0005534 0.41261 4.94506
244 2ZFI ADP 0.02261 0.41257 4.94506
245 1KOL NAD 0.009248 0.41165 4.94506
246 1PS9 NAP 0.0003869 0.40885 4.94506
247 1UP7 NAD 0.0003952 0.40874 4.94506
248 4TQG NDP 0.0009523 0.40675 4.95356
249 2A92 NAI 0.000002766 0.5052 4.98442
250 2QZZ EMF 0.002803 0.40573 5.03145
251 2QZZ NAP 0.002647 0.40556 5.03145
252 1XSE NDP 0.002452 0.41003 5.08475
253 1KEV NDP 0.000006679 0.497 5.12821
254 2VYN NAD 0.00001771 0.49506 5.13595
255 1P77 ATR 0.00002976 0.57515 5.14706
256 5N2I NAP 0.000142 0.40475 5.17241
257 4ITU 1HS 0.004966 0.40049 5.20446
258 1JNR FAD 0.001416 0.44319 5.21978
259 2FR1 NDP 0.0003962 0.43367 5.21978
260 3A06 FOM 0.001028 0.41958 5.21978
261 3A06 NDP 0.0008971 0.41924 5.21978
262 1QMG APX 0.005721 0.41087 5.21978
263 2GAG NAD 0.0005238 0.41039 5.2381
264 3CH6 311 0.005762 0.41156 5.24476
265 3CH6 NAP 0.005762 0.41156 5.24476
266 1P31 EPU 0.003316 0.43433 5.26316
267 3B20 NAD 0.00001543 0.51485 5.30973
268 2EV9 NAP 0.0003839 0.43417 5.32319
269 2EV9 SKM 0.0003839 0.43417 5.32319
270 4CJX NAP 0.001255 0.43224 5.32915
271 2QRK AMP 0.00007598 0.43443 5.32995
272 1P0Z FLC 0.005807 0.45248 5.34351
273 5L95 AMP 0.000001044 0.58762 5.37634
274 2I3G NAP 0.00003515 0.47608 5.39773
275 4NBT NAD 0.002725 0.4102 5.41667
276 4O0L NDP 0.00202 0.41002 5.45455
277 1X14 NAD 0.00003845 0.52839 5.49451
278 3WQQ IB3 0.0007723 0.42993 5.49451
279 3WQQ NDP 0.0007723 0.42993 5.49451
280 4KP7 NAP 0.001453 0.4255 5.49451
281 4KP7 1UQ 0.001329 0.42313 5.49451
282 2DC1 NAD 0.000003198 0.52848 5.50847
283 4GUT FAD 0.000605 0.43912 5.64516
284 4HSU FAD 0.0007294 0.43402 5.64516
285 1JAY NAP 0.0001706 0.40755 5.66038
286 1X87 NAD 0.00003009 0.50737 5.76923
287 2Y6Q I7T 0.0006819 0.43713 5.76923
288 2Y6Q FAD 0.0002204 0.43685 5.76923
289 1U3U NAD 0.00003036 0.43275 5.76923
290 1U3U BNF 0.00003036 0.43275 5.76923
291 5E4R NAP 0.001267 0.40048 5.76923
292 4MDB RLT 0.02001 0.41808 5.77778
293 5THQ NDP 0.0007461 0.41261 5.88235
294 1NYT NAP 0.0007072 0.44242 5.90406
295 3LU1 NAD 0.00108 0.42297 6.04396
296 1CZA GLC 0.03115 0.40913 6.04396
297 3QV1 NAD 0.00000103 0.49071 6.09756
298 3H8V ATP 0.0000002831 0.46657 6.16438
299 1PL6 572 0.0001116 0.4475 6.17978
300 1PL6 NAD 0.000008727 0.44337 6.17978
301 3GFB NAD 0.0000008933 0.55033 6.28571
302 3OND NAD 0.000003153 0.52766 6.31868
303 3OND ADN 0.000003153 0.52766 6.31868
304 1MV8 NAD 0.000004457 0.52745 6.31868
305 1MUU NAD 0.000007091 0.52403 6.31868
306 1DJN ADP 0.00001523 0.51988 6.31868
307 1O94 ADP 0.0000212 0.44401 6.31868
308 4OPC PGT 0.003722 0.43869 6.31868
309 4OPC FDA 0.003297 0.43775 6.31868
310 1GY8 NAD 0.0008151 0.41391 6.31868
311 1H2B NAJ 0.004169 0.42233 6.40669
312 1K7U NAG NAG 0.04743 0.41489 6.45161
313 2C29 NAP 0.002071 0.41483 6.52819
314 3NJ4 NAD 0.00002951 0.53199 6.59341
315 3NJ4 AFX 0.00008167 0.51307 6.59341
316 4ISS TAR 0.02203 0.42027 6.59341
317 1GEG NAD 0.0009925 0.42438 6.64062
318 1NVM NAD 0.00001689 0.47354 6.73077
319 1JQ3 AAT 0.001825 0.40671 6.75676
320 3VPH NAD 0.000004643 0.50107 6.77419
321 3VPH OXM 0.000008996 0.49387 6.77419
322 1OMO NAD 0.000001421 0.55789 6.8323
323 1HDR NAD 0.02984 0.40092 6.96721
324 3O8M BGC 0.01767 0.41808 7.14286
325 3O8M GLC 0.01767 0.41808 7.14286
326 4NBU NAI 0.0003363 0.42741 7.2
327 1E3W NAD 0.001116 0.42244 7.27969
328 1E6W NAD 0.002872 0.40675 7.30769
329 1NVT NAP 0.0005793 0.44941 7.31707
330 3GGO ENO 0.00002213 0.48793 7.32484
331 3GGO NAI 0.00002213 0.48793 7.32484
332 1AE1 NAP 0.001905 0.40603 7.32601
333 2ZJ1 ARJ 0.00001129 0.4164 7.41758
334 2ZJ1 NAD 0.00001438 0.41411 7.41758
335 1CF2 NAP 0.000005753 0.47261 7.4184
336 1GUZ NAD 0.000008054 0.50834 7.41935
337 3NGL NAP 0.002043 0.43658 7.6087
338 2FZW NAD 0.0000894 0.46751 7.69231
339 1F8G NAD 0.0004671 0.46078 7.69231
340 2OOR NAD 0.0007825 0.45112 7.69231
341 1L7E NAI 0.001164 0.43681 7.69231
342 3ITJ FAD 0.007378 0.40001 7.69231
343 4GLL NAD 0.001982 0.40265 7.71513
344 1NV8 MEQ 0.002746 0.41274 7.74648
345 1NV8 SAM 0.003194 0.40752 7.74648
346 3OID NDP 0.001977 0.40544 7.75194
347 3JV7 NAD 0.00004503 0.47564 7.82609
348 4RVU NDP 0.00136 0.40776 7.83133
349 1CER NAD 0.000001492 0.54651 7.85498
350 1LSS NAD 0.00002159 0.52341 7.85714
351 1VM6 NAD 0.0001149 0.47464 7.89474
352 2PZM NAD 0.001026 0.42738 8.18182
353 2PZM UDP 0.001026 0.42738 8.18182
354 4XZ3 COA 0.0004397 0.45808 8.24176
355 5VN0 NAI 0.001098 0.43148 8.24176
356 2HQM FAD 0.001509 0.42003 8.24176
357 3MJE NDP 0.002241 0.41087 8.24176
358 1XHC FAD 0.0006582 0.41056 8.24176
359 5VN0 FAD 0.0004431 0.40835 8.24176
360 3DXY SAM 0.01848 0.41329 8.25688
361 1WPQ NAD 0.000179 0.41029 8.30946
362 4GKV NAD 0.000006531 0.48977 8.33333
363 1I4D GDP 0.01678 0.42332 8.33333
364 4YSX FAD 0.0002643 0.40847 8.33333
365 4YSX MLI 0.03958 0.40756 8.33333
366 1KYQ NAD 0.0000002043 0.63446 8.39416
367 3NUG NAD 0.003675 0.40025 8.50202
368 4XYM COA 0.002317 0.41199 8.51648
369 1W73 NAP 0.001056 0.43858 8.60927
370 1W6U NAP 0.002519 0.42287 8.60927
371 2CVZ NDP 0.00007491 0.47827 8.65052
372 1WP4 NDP 0.00001365 0.46529 8.65052
373 2WCU FUC 0.04455 0.40455 8.72483
374 5H81 NAP 0.00001882 0.5209 8.79121
375 4XQC NAD 0.00000143 0.46546 8.79121
376 4XQC 13D 0.000001382 0.46071 8.79121
377 1BW9 NAD 0.0000002637 0.6008 8.98876
378 1BXG NAD 0.000000157 0.52567 8.98876
379 1C1X NAD 0.0000001482 0.58675 9.01408
380 2G5C NAD 0.000009704 0.50107 9.25267
381 1XG5 NAP 0.0007706 0.41445 9.319
382 5M67 ADE 0.000005013 0.52114 9.34066
383 5M67 NAD 0.000005374 0.51997 9.34066
384 5M67 3D1 0.000005599 0.51929 9.34066
385 1TI7 NAP 0.0131 0.40103 9.375
386 4XB2 HSE 0.000007612 0.48914 9.85075
387 4XB2 NDP 0.0000005588 0.48842 9.85075
388 4MDH NAD 0.00003341 0.48829 9.88024
389 5MQ6 NDP 0.00002298 0.51232 9.89011
390 5MDH NAD 0.00003981 0.48528 9.90991
391 2CUL FAD 0.0001079 0.45428 9.91379
392 1U7T NAD 0.002675 0.41318 9.96169
393 2PV7 NAD 0.000008556 0.51162 10.4027
394 2XVE FAD 0.001589 0.43304 10.4396
395 1O5I NAD 0.005114 0.42231 10.4418
396 4EDF UPG 0.001089 0.4303 10.7143
397 5FJN BE2 0.001733 0.4207 10.7456
398 5FJN FAD 0.001449 0.4207 10.7456
399 4JK3 NAD 0.00000005933 0.60271 10.8108
400 4J4H NAI 0.00000162 0.53747 10.8108
401 4J4H 1J1 0.00000162 0.53747 10.8108
402 4II2 ATP 0.00003272 0.51547 10.8434
403 3L4S NAD 0.00001696 0.48423 11.0119
404 3L4S 3PG 0.00002153 0.47685 11.0119
405 2YYY NAP 0.0001705 0.45691 11.0787
406 3QWI NAP 0.001904 0.40847 11.1111
407 2VT3 ATP 0.00000007504 0.68185 11.1628
408 5MBX FAD 0.001675 0.42826 11.2637
409 5MBX SP5 0.001675 0.42826 11.2637
410 4LZB URA 0.03822 0.4089 11.3445
411 3H4V DVP 0.001281 0.42271 11.4583
412 3H4V NAP 0.001306 0.42135 11.4583
413 4CQM NAP 0.001659 0.41586 11.4754
414 1ZMD NAI 0.0001627 0.46848 11.8132
415 1YKF NAP 0.00002802 0.48349 11.9318
416 3ORF NAD 0.0001055 0.46501 11.9522
417 1PZG A3D 0.00001208 0.46528 12.0846
418 2VHW NAI 0.0000002855 0.5249 12.0879
419 3AD8 NAD 0.0003746 0.42729 12.1212
420 4OSP NAP 0.002504 0.41163 12.1673
421 2AHR NAP 0.0004617 0.43409 12.3552
422 5MSO NAP 0.0009277 0.40159 12.3626
423 2CVQ NDP 0.0000107 0.50354 12.5382
424 2V3B FAD 0.000746 0.42593 12.7273
425 5JDC NAP 0.0007274 0.43247 13.1944
426 4CLO NAP 0.0009015 0.43183 13.1944
427 3JQA NAP 0.0009261 0.43137 13.1944
428 4CMI NAP 0.0007857 0.43117 13.1944
429 3JQG NAP 0.0009618 0.43072 13.1944
430 5JCJ NAP 0.0008391 0.43006 13.1944
431 4CM8 NAP 0.0008689 0.42947 13.1944
432 4CME NAP 0.0008754 0.42935 13.1944
433 4CM4 NAP 0.0009169 0.42857 13.1944
434 3JQB NAP 0.001168 0.4274 13.1944
435 3JQF NAP 0.000887 0.42624 13.1944
436 3JQ8 NAP 0.001114 0.42246 13.1944
437 3BMN NAP 0.001369 0.41904 13.1944
438 5K6A NAP 0.0007297 0.413 13.1944
439 4CM9 NAP 0.0008754 0.41039 13.1944
440 3JQ7 NAP 0.003336 0.4094 13.1944
441 3BMQ NAP 0.0008944 0.40872 13.1944
442 3BMO NAP 0.0008401 0.40811 13.1944
443 4CLR NAP 0.0008895 0.40741 13.1944
444 5JDI NAP 0.0009763 0.40591 13.1944
445 3JQ9 NAP 0.001406 0.40443 13.1944
446 1PJS NAD 0.00003246 0.4093 13.4615
447 3TWO NDP 0.00002366 0.47846 13.5057
448 1Z82 NDP 0.001702 0.42094 13.7313
449 2WSB NAD 0.002563 0.40931 13.7795
450 2VZ0 NAP 0.004119 0.42548 14.1791
451 2VZ0 D64 0.004119 0.42548 14.1791
452 2WD7 NAP 0.0008633 0.40767 14.1791
453 2AOT SAH 0.00354 0.44068 14.3836
454 1NPD NAD 0.001266 0.43529 15.625
455 2F5Z FAD 0.002633 0.41188 15.625
456 4ZRN NAD 0.0007379 0.41695 15.7051
457 1VL8 NAP 0.001501 0.40979 15.7303
458 1E6E FAD 0.0006862 0.42605 17.1875
459 3AFN NAP 0.002393 0.40242 17.4419
460 1H5Q NAP 0.002058 0.40972 17.7358
461 1Y8Q ATP 0.00006556 0.48874 19.5055
462 1LK7 DER 0.01582 0.41668 22.7074
463 4ZGS NAD 0.000000000006648 0.65048 28.5714
464 1J49 NAD 0.00000000002019 0.72559 29.4294
465 2O4C NAD 0.00000000004528 0.66965 32.4176
466 1SC6 NAD 0.0000000227 0.57969 34.3407
467 2GCG NDP 0.000000002814 0.59634 34.8485
468 4E5N NAD 0.0000000000002869 0.74708 35.4545
469 3KB6 NAD 0.000000000001618 0.77682 39.521
470 2DBZ NAP 0.00000000003241 0.71762 43.7126
471 5OFW 9TW 0.0000002119 0.70697 43.9462
472 5N53 8NB 0.0000003613 0.68629 48.2051
Pocket No.: 2; Query (leader) PDB : 5DN9; Ligand: NAD; 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: 5dn9.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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