Receptor
PDB id Resolution Class Description Source Keywords
4OE4 2.17 Å EC: 1.2.1.88 CRYSTAL STRUCTURE OF YEAST ALDH4A1 COMPLEXED WITH NAD+ SACCHAROMYCES CEREVISIAE PUT2P ALDEHYDE DEHYDROGENASE ALDH4A1 ROSSMANN FOLD OXIDOREDUCTASE NAD MITOCHONDRIA
Ref.: STRUCTURAL STUDIES OF YEAST DELTA (1)-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE (ALDH4A1) SITE FLEXIBILITY AND OLIGOMERIC STATE. BIOCHEMISTRY V. 53 1350 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD B:1000;
A:1000;
Valid;
Valid;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4OE4 2.17 Å EC: 1.2.1.88 CRYSTAL STRUCTURE OF YEAST ALDH4A1 COMPLEXED WITH NAD+ SACCHAROMYCES CEREVISIAE PUT2P ALDEHYDE DEHYDROGENASE ALDH4A1 ROSSMANN FOLD OXIDOREDUCTASE NAD MITOCHONDRIA
Ref.: STRUCTURAL STUDIES OF YEAST DELTA (1)-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE (ALDH4A1) SITE FLEXIBILITY AND OLIGOMERIC STATE. BIOCHEMISTRY V. 53 1350 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4OE4 - 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 1 families.
1 4OE4 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4NS3 - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 4IHI - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 4JDC - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 3V9L - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
5 4LH1 - MLA C3 H4 O4 C(C(=O)O)C....
6 4LH0 - GLV C2 H2 O3 C(=O)C(=O)....
7 3V9K - GLU C5 H9 N O4 C(CC(=O)O)....
8 4LH2 Ki = 58 mM SIN C4 H6 O4 O=C([O-])C....
9 4LH3 Ki = 30 mM GUA C5 H8 O4 C(CC(=O)O)....
10 4OE4 - 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 : 4OE4; Ligand: NAD; Similar sites found: 401
This union binding pocket(no: 1) in the query (biounit: 4oe4.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.007538 0.471 None
2 1PTR PRB 0.008663 0.43642 None
3 1UO4 PIH 0.02468 0.43338 None
4 4RJK PYR 0.04509 0.40663 1.22592
5 2VJJ RAM GLC GAL NAG NAG GLC 0.001958 0.40167 1.37931
6 1ZFJ IMP 0.0101 0.40236 1.42566
7 4DYO SD4 0.01204 0.40899 1.4433
8 1OFL NGK GCD 0.006416 0.43032 1.4553
9 3VCA PRO 0.0002919 0.48775 1.45631
10 2Q8H TF4 0.002569 0.47787 1.4742
11 4HE2 AMP 0.00003239 0.42967 1.47929
12 1RZM PEP 0.01138 0.41463 1.47929
13 1RZM E4P 0.02737 0.41207 1.47929
14 3ZGE ASP 0.03498 0.41227 1.55172
15 4HA6 PXM 0.003561 0.44239 1.5748
16 3KFL ME8 0.006589 0.4114 1.59574
17 3KMT SAH 0.007785 0.40432 1.68067
18 1V8K ANP 0.000339 0.40164 1.70732
19 4TSK NDP 0.0009195 0.41729 1.71429
20 3M6W SAM 0.003809 0.41231 1.72414
21 1PX8 XYP 0.01513 0.41393 1.8
22 1NML CIT 0.008548 0.42007 1.84049
23 3FPZ AHZ 0.004684 0.40659 1.84049
24 3P7I P7I 0.002743 0.44169 1.86916
25 4M51 BEZ 0.001898 0.47615 1.87354
26 1V5F TPP 0.007766 0.4199 1.89655
27 1V5F FAD 0.007766 0.4199 1.89655
28 2QIA U20 0.000604 0.42002 1.9084
29 1RY2 AMP 0.0001335 0.40395 1.96078
30 4Q0A 4OA 0.000412 0.43936 1.98676
31 4AP9 1PS 0.00101 0.42137 1.99005
32 1O9U ADZ 0.00537 0.46112 2
33 4COQ SAN 0.001678 0.46376 2.02429
34 1E4E PHY 0.007565 0.40102 2.04082
35 2FGQ MLT 0.001183 0.47085 2.10843
36 2OWZ F6P 0.001667 0.42163 2.10843
37 2OWZ CIT 0.01679 0.41694 2.10843
38 2Q09 DI6 0.004244 0.42823 2.16346
39 3ZUY TCH 0.01018 0.40774 2.16718
40 2DWU DGL 0.008694 0.415 2.17391
41 3TO7 COA 0.0009407 0.40066 2.17391
42 1GSA GSH 0.0004168 0.41448 2.21519
43 1TDF FAD 0.001256 0.40527 2.21519
44 1GSA ADP 0.001589 0.4031 2.21519
45 1UOU CMU 0.008265 0.40331 2.24138
46 2BO4 FLC 0.00137 0.47522 2.267
47 4WX0 HXD 0.003396 0.4142 2.28137
48 2P41 G1G 0.008247 0.41598 2.29508
49 2P41 SAH 0.002719 0.40998 2.29508
50 4W6Z ETF 0.007153 0.4546 2.30548
51 1ONX ASP 0.0001684 0.42394 2.30769
52 2CE7 ADP 0.003133 0.4197 2.31092
53 2X61 NGA GAL SIA 0.000475 0.42627 2.32558
54 2X61 CH 0.000389 0.40537 2.32558
55 3Q3C NAD 0.001371 0.40858 2.34114
56 1T26 NAI 0.00005538 0.47789 2.48447
57 1T26 GBD 0.00005538 0.47789 2.48447
58 1R6W 164 0.001901 0.42373 2.48447
59 1YOE RIB 0.0003112 0.40094 2.48447
60 3S9K CIT 0.01242 0.45937 2.54237
61 2Z9V PXM 0.006495 0.4253 2.55102
62 1ML4 PAL 0.0006721 0.4142 2.5974
63 3NNF AKG 0.01875 0.41469 2.61628
64 3UST FAD 0.0048 0.40851 2.62172
65 3ZF8 GDP 0.01329 0.40295 2.62295
66 2XNJ FAD 0.01172 0.41406 2.63158
67 4B9E FAH 0.02755 0.41193 2.65781
68 4M5P MLA 0.001014 0.50921 2.7027
69 4LIT AKG 0.002034 0.45338 2.7027
70 1JCM 137 0.0002447 0.41222 2.7027
71 1V6A TRE 0.005801 0.43281 2.71084
72 2BLE 5GP 0.0001285 0.4458 2.7248
73 1GJW GLC 0.005308 0.44674 2.75862
74 2ZJ5 ADP 0.004745 0.43675 2.75862
75 1GJW MAL 0.01158 0.40542 2.75862
76 4NAO AKG 0.02732 0.41211 2.76074
77 4OYA 1VE 0.000267 0.457 2.76596
78 4P4T GDP 0.002949 0.40871 2.77778
79 3QV9 QV7 0.009144 0.42386 2.80561
80 1XMV ADP 0.0005015 0.42117 2.80899
81 2C9O ADP 0.00007037 0.41621 2.85088
82 2NVK NAP 0.008467 0.42025 2.86885
83 4JEJ 1GP 0.01048 0.40313 2.86885
84 3ZPG 5GP 0.0005013 0.51496 2.87958
85 3TKA CTN 0.001455 0.494 2.88184
86 3TKA SAM 0.001743 0.40942 2.88184
87 3L6R MLI 0.002574 0.46196 2.89017
88 4U9W SER GLY ARG GLY LYS NH2 0.02826 0.40387 2.89855
89 4U9W COA 0.005276 0.40321 2.89855
90 2JE7 XMM 0.0001201 0.4062 2.92887
91 5EQU AKG 0.01714 0.42802 2.95082
92 1JN2 SFP 0.004527 0.46968 2.95359
93 1FNZ A2G 0.0008478 0.41632 2.95359
94 3CQ5 PMP 0.0188 0.40073 2.98103
95 3PC3 P1T 0.001833 0.40867 3.03605
96 3ZZS TRP 0.00002224 0.4167 3.07692
97 4O8A 2OP 0.003331 0.47198 3.10345
98 1Y7P RIP 0.0002789 0.50014 3.13901
99 3SJK LYS PRO VAL LEU ARG THR ALA 0.0195 0.40908 3.15789
100 2Y7G AAE 0.007929 0.40025 3.19149
101 1I9G SAM 0.00009245 0.43851 3.21429
102 1F8F NAD 0.0004639 0.42489 3.2345
103 3MAG SAH 0.00004544 0.46842 3.25733
104 3A1I UNU 0.006997 0.41445 3.26296
105 3PMD 11A 0.002431 0.43336 3.26797
106 4AMV F6R 0.003225 0.41505 3.27586
107 3I51 45C 0.0004899 0.45632 3.33333
108 3MCT SAH 0.00003909 0.46562 3.367
109 1NF8 BOG 0.02792 0.41165 3.38164
110 4AF0 MOA 0.0007332 0.41125 3.41727
111 2J5S KTA 0.0001313 0.45716 3.42205
112 2JFV FLC 0.006136 0.43745 3.43643
113 1T10 F6P 0.00852 0.42525 3.44828
114 2YYJ 4HP 0.004167 0.40937 3.44828
115 2YYJ FAD 0.004167 0.40937 3.44828
116 4HZO COA 0.009295 0.41848 3.45912
117 1I2B NAD 0.002613 0.43103 3.46535
118 1I2B USQ 0.002613 0.43103 3.46535
119 1I2B UPG 0.002613 0.43103 3.46535
120 2C7G ODP 0.002613 0.40153 3.50877
121 2JBH 5GP 0.01388 0.40635 3.55556
122 2QV7 ADP 0.002683 0.41807 3.56083
123 4JWX 1N4 0.003559 0.43674 3.57143
124 3SJ7 NDP 0.0005673 0.40165 3.57143
125 1QDS PGA 0.006136 0.4168 3.58566
126 4KCT PYR 0.00135 0.44932 3.62069
127 4KCT FDP 0.005228 0.41524 3.62069
128 4QCK ASD 0.0007443 0.40766 3.62694
129 3I8T LBT 0.0003574 0.48037 3.65854
130 3E81 SLB 0.007614 0.42746 3.65854
131 3MD0 GDP 0.007275 0.41829 3.66197
132 1HV9 UD1 0.000244 0.40168 3.72807
133 2F2U M77 0.01197 0.40483 3.73134
134 3VGL ANP 0.00003232 0.40652 3.73832
135 2Q1A 2KT 0.0005388 0.42287 3.75427
136 4JP3 CIT 0.003455 0.42243 3.76569
137 4GQB 0XU 0.000566 0.42045 3.77907
138 2OHV NHL 0.002111 0.44109 3.78788
139 4I9A NCN 0.00002965 0.43874 3.81944
140 2JGS BTN 0.005184 0.43225 3.84615
141 4WBD CIT 0.0263 0.41859 3.8817
142 3U1T MLI 0.001861 0.46878 3.8835
143 1K27 MTM 0.0000401 0.42342 3.88693
144 1SS4 GSH 0.001565 0.51436 3.92157
145 1SS4 CIT 0.0381 0.45297 3.92157
146 2VQ5 HBA 0.001831 0.46912 3.9801
147 2VQ5 LDP 0.00465 0.4644 3.9801
148 2ZO9 MLI 0.00017 0.47772 4.0146
149 1Q3Q ANP 0.0001006 0.44737 4.0146
150 1JA9 NDP 0.0003866 0.43685 4.0146
151 1A8S PPI 0.0006626 0.45379 4.0293
152 3SCH TB6 0.01198 0.42383 4.0404
153 1FBL HTA 0.01464 0.40121 4.05405
154 1A5Z OXM 0.00032 0.51496 4.07523
155 2NLI FMN 0.0004924 0.42578 4.07609
156 2NLI LAC 0.0006736 0.42313 4.07609
157 4IHQ ADP 0.01124 0.41026 4.09357
158 3CXO 1N5 0.0002696 0.40697 4.09639
159 3CXO 3LR 0.0002552 0.40372 4.09639
160 3QSB 743 0.0141 0.40464 4.09836
161 1UAY ADN 0.008835 0.40218 4.13223
162 4GYW UDP 0.000435 0.40259 4.13793
163 3SQG COM 0.0006447 0.51993 4.15704
164 2QCX PF1 0.02046 0.40797 4.18251
165 1QW9 KHP 0.0004041 0.41588 4.18327
166 2HNK SAH 0.003152 0.40408 4.1841
167 1P72 THM 0.01077 0.41567 4.19162
168 1VDC FAD 0.001638 0.4027 4.2042
169 1UXG NAD 0.000461 0.40971 4.20712
170 1UXG FUM 0.000461 0.40971 4.20712
171 2QS8 MET 0.0002075 0.40572 4.30622
172 3MB5 SAM 0.0005134 0.41993 4.31373
173 3F81 STT 0.009053 0.44924 4.37158
174 3R51 MMA 0.0005811 0.51161 4.375
175 3OYZ ACO 0.00003128 0.4085 4.38799
176 3K3G MMU 0.001636 0.45451 4.41176
177 1F7K UMP 0.0004768 0.41898 4.41176
178 2O66 FLC 0.01501 0.41409 4.44444
179 2ZWS PLM 0.0008655 0.52474 4.48916
180 3OIG NAD 0.00007891 0.45248 4.51128
181 1JSH SIA GAL 0.0001021 0.4469 4.54545
182 1G6O ADP 0.00004458 0.44553 4.54545
183 1OGD RIP 0.003205 0.43873 4.58015
184 1H8P PC 0.005836 0.45923 4.58716
185 1JQ5 NAD 0.002349 0.43422 4.59459
186 2Q3M MLA 0.03077 0.42124 4.60123
187 3LM9 ADP 0.007596 0.40874 4.63576
188 1T0S BML 0.02613 0.41874 4.65116
189 1L2T ATP 0.0009209 0.41155 4.68085
190 3SHR CMP 0.00221 0.43506 4.68227
191 4CCO OGA 0.01212 0.41342 4.71092
192 1RYI GOA 0.003409 0.49951 4.71204
193 3HZS M0E 0.0003484 0.41679 4.78469
194 2FR6 URI 0.00463 0.40168 4.79452
195 3PXP MYR 0.006303 0.40036 4.79452
196 3B96 MYA 0.001547 0.41489 4.82759
197 2NZ2 ASP 0.01657 0.40744 4.84262
198 1HFA PIO 0.01508 0.45614 4.84429
199 2IZ1 ATR 0.0008666 0.47716 4.85232
200 2WIC GNP 0.00006717 0.44629 4.86891
201 1F5F DHT 0.0009468 0.43068 4.87805
202 3QDY CBS 0.0005851 0.49308 4.8951
203 3QDT A2G GAL 0.017 0.4282 4.8951
204 1NXJ TLA 0.00000635 0.5139 4.91803
205 1NXJ GLV 0.000429 0.47041 4.91803
206 1Y1A GSH 0.00823 0.47037 4.91803
207 4CMF PXG 0.002166 0.40076 4.96894
208 2Q37 3AL 0.006195 0.43152 4.97238
209 1YHM AHD 0.01342 0.4163 4.97238
210 3VKX T3 0.000001664 0.43246 4.98084
211 2NCD ADP 0.006975 0.42918 5
212 2EJU SAH 0.001276 0.42177 5.02645
213 2B6N ALA PRO THR 0.0119 0.4271 5.03597
214 1JGS SAL 0.003525 0.4899 5.07246
215 2F59 INI 0.003981 0.40404 5.09554
216 3KPE TM3 0.003778 0.4473 5.12821
217 3KJQ B94 0.002242 0.42994 5.26316
218 2WMO GTP 0.003557 0.41756 5.26316
219 1C3V PDC 0.01935 0.40907 5.30612
220 2VDJ HSE 0.02213 0.4224 5.31561
221 1IM8 SAI 0.001949 0.40776 5.32787
222 2HFK E4H 0.007495 0.42258 5.32915
223 2GGH NLQ 0.0001074 0.40102 5.33333
224 1ZJ6 G3D 0.007689 0.40853 5.34759
225 2BNE U5P 0.00001614 0.44547 5.39419
226 2FH5 GTP 0.002965 0.40501 5.40541
227 1TV5 ORO 0.0001987 0.45817 5.41761
228 1TV5 N8E 0.001114 0.42388 5.41761
229 1TV5 A26 0.001328 0.40985 5.41761
230 2G30 ALA ALA PHE 0.001734 0.41165 5.42636
231 3NKS ACJ 0.0005334 0.44458 5.45073
232 1O68 KIV 0.02381 0.4005 5.45455
233 1OMZ UD2 0.001334 0.40156 5.46075
234 3NOJ PYR 0.003989 0.43731 5.46218
235 3QP4 HL0 0.005641 0.40585 5.49451
236 4F8L GAL 0.000709 0.52969 5.51724
237 1QH9 LAC 0.01534 0.41879 5.60345
238 2DTJ THR 0.0107 0.40683 5.61798
239 3AB4 LYS 0.01615 0.40588 5.61798
240 1LTH NAD 0.0005743 0.42025 5.64263
241 3B9Z CO2 0.00004721 0.53613 5.6701
242 4N7C AEF 0.008444 0.43696 5.68182
243 3K3K A8S 0.002629 0.40684 5.6872
244 1W7J ADP BEF 0.005842 0.40158 5.68966
245 3LTW HLZ 0.004279 0.44477 5.71429
246 3TFC PEP 0.01416 0.41045 5.71429
247 4GLJ RHB 0.0000902 0.41347 5.72391
248 2DVZ GLU 0.0009552 0.45004 5.73248
249 1WGC SIA GAL BGC 0.03296 0.42643 5.84795
250 2B7N NTM 0.01114 0.41997 5.86081
251 4Q3F TLA 0.00002856 0.52023 5.98291
252 1DXY COI 0.003528 0.47067 6.00601
253 2GWD GLU 0.0007265 0.46072 6.01336
254 2C5S AMP 0.00277 0.43609 6.05327
255 2RCN GDP 0.003114 0.42893 6.14525
256 4KCF AKM 0.000969 0.41147 6.1674
257 4KCF FMN 0.0004794 0.408 6.1674
258 3L24 GOA 0.01379 0.43964 6.18956
259 4Q3R XA2 0.0005404 0.41197 6.23377
260 4Q3S X7A 0.0009286 0.40469 6.23377
261 4EKV BTN 0.0004199 0.40443 6.28931
262 1A5V Y3 0.009465 0.42318 6.32911
263 3SIX GDP 0.008454 0.40688 6.36364
264 1H16 PYR 0.01267 0.43466 6.45586
265 1PEA ACM 0.01999 0.42464 6.49351
266 1FP2 HMO 0.007596 0.40096 6.53409
267 4LKK SIA GAL 0.001455 0.41972 6.54762
268 2YIV YIV 0.008387 0.44369 6.55172
269 2YIV NBN 0.03093 0.40947 6.55172
270 1C1L GAL BGC 0.02609 0.41309 6.56934
271 4PB2 5UD 0.0008104 0.42883 6.60377
272 2XDQ MGX 0.01546 0.43702 6.65362
273 1GPJ CIT 0.01507 0.41915 6.68317
274 1E5F PLP 0.00675 0.4029 6.68317
275 1B74 DGN 0.002006 0.47494 6.69291
276 4LN7 1ZQ 0.003574 0.40944 6.69856
277 4IVG ANP 0.00001343 0.46843 6.72414
278 2GN2 C5P 0.000629 0.43721 6.72515
279 3RF4 FUN 0.005745 0.42764 6.89655
280 3FS8 ACO 0.005439 0.40333 6.95971
281 1A59 CIT 0.002838 0.45991 7.14286
282 1QO0 BMD 0.01454 0.41988 7.14286
283 2HVK TBA 0.0004745 0.48937 7.25806
284 3VOZ 04A 0.001798 0.42043 7.30159
285 1ULE GLA GAL NAG 0.02568 0.41912 7.33333
286 1Q3P GLU ALA GLN THR ARG LEU 0.004241 0.42824 7.33945
287 4R84 CSF 0.002537 0.40909 7.35587
288 4B16 NAG 0.004936 0.47171 7.5188
289 4M7F BM3 0.0004745 0.47499 7.52212
290 4MPO AMP 0.02299 0.41063 7.84314
291 1XE7 GUN 0.02298 0.42795 7.88177
292 4C6F NCD 0.003901 0.4249 7.88804
293 4C6F DOR 0.003901 0.4249 7.88804
294 2D4N DUP 0.001051 0.40798 7.89474
295 3NFZ 3NF 0.001578 0.43604 8.25688
296 3WCS MAN NAG 0.001761 0.45011 8.26772
297 3WCS MAN NAG GAL 0.01377 0.40231 8.26772
298 1VQ2 DDN 0.002044 0.41838 8.29016
299 1KYQ NAD 0.0006236 0.43291 8.39416
300 1Z42 HBA 0.001241 0.51682 8.57988
301 4LTN NAI 0.0003007 0.42509 8.62944
302 3BRE C2E 0.01706 0.41662 8.65922
303 2YLD CMO 0.02658 0.40754 8.66142
304 2XG5 EC5 0.002816 0.45485 8.67052
305 1Y42 TYR 0.004095 0.43407 8.67347
306 2V5E SCR 0.006342 0.46576 8.91089
307 4DN8 BMA 0.01616 0.41772 8.97436
308 1F1V DHY 0.008658 0.41508 8.97833
309 2EB5 OXL 0.009435 0.42869 8.98876
310 2W3L DRO 0.004878 0.46331 9.02778
311 1NVU GTP 0.0002413 0.43371 9.03614
312 1Y2W NAG 0.006351 0.43675 9.15493
313 3BY8 MLT 0.0155 0.42414 9.15493
314 1N9L FMN 0.00421 0.40317 9.17431
315 4F4S EFO 0.0008046 0.46497 9.21053
316 1Y75 NAG 0.009522 0.41332 9.32203
317 2E1A MSE 0.01146 0.40989 9.33333
318 3H86 AP5 0.0008636 0.40971 9.375
319 4KGM ATP 0.01083 0.40256 9.38776
320 1EDO NAP 0.0015 0.41785 9.42623
321 1AX2 NDG GAL 0.001407 0.45436 9.62343
322 4NYT PC 0.004774 0.46051 9.67742
323 1MZV AMP 0.002965 0.42981 9.78723
324 2FWP CIT 0.0002703 0.40694 9.83607
325 2FWP ICR 0.0005737 0.40322 9.83607
326 1LNX URI 0.01159 0.41427 9.87654
327 2Y7P SAL 0.001043 0.46005 10.0917
328 4A8H PUW 0.0001579 0.41272 10.1408
329 4K30 NLG 0.01406 0.40194 10.625
330 3W54 RNB 0.002724 0.42207 10.6383
331 1XX4 BAM 0.002353 0.44751 10.728
332 4USS GSH 0.01704 0.4069 10.7692
333 1FWE HAE 0.003043 0.43436 11
334 2FYU FDN 0.002207 0.41323 11.1111
335 4MOB ADP 0.00003472 0.4864 11.1446
336 3TA2 AKG 0.0001153 0.41267 11.8644
337 1YOA FMN 0.0166 0.45133 11.9497
338 4LO6 SIA GAL 0.004207 0.45512 12.1053
339 2BGM NAJ 0.0007832 0.41947 12.2302
340 3FXU TSU 0.001205 0.40441 12.459
341 1T3D CYS 0.01902 0.41981 12.8028
342 4P9Z NMI PTR 02K ASN NH2 0.00128 0.45616 12.8205
343 2IYG FMN 0.003777 0.42089 12.9032
344 2VAR KDG 0.004567 0.41759 13.099
345 2VAR KDF 0.01116 0.40204 13.099
346 2VAR AMP 0.01484 0.40096 13.099
347 4AF5 CIT 0.01133 0.42496 13.1579
348 1YRX FMN 0.001937 0.42342 13.2231
349 1NU4 MLA 0.0008239 0.4584 13.4021
350 1I7M CG 0.01034 0.41552 13.4328
351 4EXO PYR 0.03146 0.41463 13.6986
352 1UW1 ADP 0.006543 0.43044 13.75
353 1Y0L HAN 0.01405 0.44684 14.3519
354 1MVN FMN 0.000007084 0.41847 14.3541
355 2XI7 XI7 0.004181 0.48566 14.6739
356 1ECM TSA 0.005679 0.42286 14.6789
357 4IEN GDP 0.00005437 0.43683 14.7239
358 4IEN COA 0.00006328 0.41866 14.7239
359 3PNA CMP 0.00445 0.42736 14.9351
360 2FOI JPA 0.0007981 0.45325 15
361 1G8S MET 0.001347 0.46822 15.2174
362 1WKL ATP 0.0008024 0.42899 15.3285
363 1WKL ADP 0.001495 0.41929 15.3285
364 3CH5 GDP 0.01189 0.40093 15.3846
365 4G28 0W8 0.003919 0.4297 16.1074
366 2PR5 FMN 0.004648 0.40162 17.4242
367 1BTN I3P 0.04635 0.42658 19.8113
368 4CCN OGA 0.03349 0.40278 20
369 1TH8 ADP 0.008996 0.40995 21.5517
370 2OFE NAG 0.001895 0.46129 23.9437
371 2OFD NGA 0.001896 0.46129 23.9437
372 1EZ0 NAP 0.0000004108 0.60691 24.5098
373 1SC3 MLI 0.001551 0.48055 25
374 1JAC AMG 0.0048 0.47237 25
375 1UGX GAL MGC 0.0002645 0.41124 25
376 1H2M OGA 0.0261 0.4079 26.9231
377 2BOI MFU 0.004179 0.43369 27.4336
378 2Y5D NAP 0.0000003154 0.60775 28.6517
379 3VZ3 NAP 0.000000002174 0.54805 29.7593
380 3VZ3 SSN 0.000000003623 0.51076 29.7593
381 4I3V NAD 0.0000000002396 0.57603 31.7623
382 3HAZ NAD 0.00000000009911 0.59707 34.3103
383 3EFV NAD 0.000000007403 0.54905 35.7143
384 1KY8 NAP 0.0000000003261 0.50358 36.7265
385 5KF6 NAD 0.0008105 0.45024 38.2759
386 4I8P NAD 0.0000000005169 0.74537 38.4615
387 1JOT GAL A2G 0.003408 0.42732 40
388 4PZ2 NAD 0.009213 0.40952 40.2622
389 3RHJ NAP 0.000000003862 0.49876 40.619
390 2W8Q SIN 0.0326 0.40834 40.6571
391 1T90 NAD 0.000000001056 0.72638 41.5638
392 2QE0 NAP 0.000000002524 0.72836 42.9474
393 3IWK NAD 0.0000005151 0.5834 43.9364
394 4A0M NAD 0.0000000005151 0.74052 44.7581
395 3JZ4 NAP 0.0000000006243 0.60443 44.9064
396 2WME NAP 0.00000006966 0.61488 45.9184
397 2WOX NDP 0.000000001487 0.72669 46.0123
398 4I9B NAD 0.000000006419 0.64295 46.4217
399 3IWJ NAD 0.000000001367 0.67527 46.5209
400 1O9J NAD 0.000000007716 0.68486 46.7066
401 2IMP NAI 0.00000001308 0.68744 47.8079
Pocket No.: 2; Query (leader) PDB : 4OE4; 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: 4oe4.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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