Receptor
PDB id Resolution Class Description Source Keywords
5MDH 2.4 Å EC: 1.1.1.37 CRYSTAL STRUCTURE OF TERNARY COMPLEX OF PORCINE CYTOPLASMIC DEHYDROGENASE ALPHA-KETOMALONATE AND TNAD AT 2.4 ANGSTROMS SUS SCROFA OXIDOREDUCTASE (NAD(A)-CHOH(D))
Ref.: STRUCTURAL BASIS OF SUBSTRATE SPECIFICITY IN MALATE DEHYDROGENASES: CRYSTAL STRUCTURE OF A TERNARY COMP PORCINE CYTOPLASMIC MALATE DEHYDROGENASE, ALPHA-KET AND TETRAHYDONAD. J.MOL.BIOL. V. 285 703 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MAK A:335;
B:335;
Valid;
Valid;
none;
none;
submit data
118.045 C3 H2 O5 C(=O)...
NAD A:334;
B:334;
Valid;
Valid;
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
5MDH 2.4 Å EC: 1.1.1.37 CRYSTAL STRUCTURE OF TERNARY COMPLEX OF PORCINE CYTOPLASMIC DEHYDROGENASE ALPHA-KETOMALONATE AND TNAD AT 2.4 ANGSTROMS SUS SCROFA OXIDOREDUCTASE (NAD(A)-CHOH(D))
Ref.: STRUCTURAL BASIS OF SUBSTRATE SPECIFICITY IN MALATE DEHYDROGENASES: CRYSTAL STRUCTURE OF A TERNARY COMP PORCINE CYTOPLASMIC MALATE DEHYDROGENASE, ALPHA-KET AND TETRAHYDONAD. J.MOL.BIOL. V. 285 703 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 5MDH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 1B8V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1B8U - OAA C4 H3 O5 C(C(=O)C(=....
3 5MDH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 1BDM - NAX C21 H31 N7 O15 P2 c1nc(c2c(n....
5 1Y7T - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
6 1WZE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
7 1WZI - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
8 2CVQ Ki = 2.6 mM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
9 1BMD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1B8V - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 1B8U - OAA C4 H3 O5 C(C(=O)C(=....
3 5MDH - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
4 5A1T - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
5 4UUN - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
6 1BDM - NAX C21 H31 N7 O15 P2 c1nc(c2c(n....
7 1Y7T - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
8 1WZE - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
9 1WZI - NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
10 2CVQ Ki = 2.6 mM NDP C21 H30 N7 O17 P3 c1nc(c2c(n....
11 1BMD - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAK; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 MAK 1 1
2 OXD 0.6 0.647059
3 SRT 0.4 0.941176
4 TAR 0.4 0.941176
5 TLA 0.4 0.941176
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 : 5MDH; 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: 5mdh.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5MDH; Ligand: NAD; Similar sites found: 563
This union binding pocket(no: 2) in the query (biounit: 5mdh.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GEE NAD 0.001063 0.41219 0.766284
2 1FK8 NAD 0.0001266 0.46495 1.16732
3 2Q1S NAI 0.00004138 0.49827 1.2012
4 2J8Z NAP 0.001063 0.42339 1.2012
5 1OBB NAD 0.000004173 0.52912 1.5015
6 1SAY PYR 0.00001786 0.50061 1.5015
7 1ORR NAD 0.00004387 0.48362 1.5015
8 1GY8 NAD 0.0001118 0.44269 1.5015
9 3OJO NAD 0.000145 0.43862 1.5015
10 1H82 GZZ 0.01145 0.41027 1.5015
11 1H82 FAD 0.01004 0.40931 1.5015
12 2R4J 13P 0.0113 0.40496 1.5015
13 4CJX NAP 0.0004148 0.43035 1.5674
14 3ORF NAD 0.0002489 0.44097 1.59363
15 2F5X ASP 0.02227 0.41512 1.60256
16 5U5G NAP 0.002381 0.40982 1.69492
17 1SB8 UD2 0.00001357 0.5274 1.8018
18 1SB8 NAD 0.00001291 0.52383 1.8018
19 1KEW NAD 0.00005783 0.50001 1.8018
20 1KEW TYD 0.00005764 0.49904 1.8018
21 2DFV NAD 0.00001612 0.49198 1.8018
22 5IN4 NAP 0.002044 0.47766 1.8018
23 5IN4 6CK 0.002012 0.47766 1.8018
24 5IN4 GDP 0.001992 0.47723 1.8018
25 4L8V NAP 0.0004142 0.4408 1.8018
26 3A06 FOM 0.00174 0.42424 1.8018
27 3A06 NDP 0.001606 0.4232 1.8018
28 1QZZ SAM 0.01003 0.4165 1.8018
29 1F8G NAD 0.003632 0.41572 1.8018
30 3CTY FAD 0.004715 0.41497 1.8018
31 3UCL NAP 0.01235 0.41255 1.8018
32 3IHG FAD 0.002566 0.41131 1.8018
33 3UCL CYH 0.01199 0.41129 1.8018
34 3UCL FAD 0.01199 0.41129 1.8018
35 2GV8 NDP 0.003705 0.40926 1.8018
36 1J0X NAD 0.0007457 0.44687 1.80723
37 4ITU NAI 0.0005105 0.40985 1.85874
38 5UAV TFB 0.001164 0.43121 1.86335
39 5UAV NDP 0.001164 0.43121 1.86335
40 1IY8 NAD 0.0001081 0.44256 1.87266
41 1H5Q NAP 0.0001824 0.43477 1.88679
42 2EWM NAD 0.00003597 0.45981 2.00803
43 1LUA NAP 0.000588 0.41064 2.09059
44 1V8B NAD 0.00003012 0.49461 2.1021
45 3BAZ NAP 0.00007325 0.47443 2.1021
46 1MUU NAD 0.0001803 0.45882 2.1021
47 3ABI NAD 0.00008578 0.45289 2.1021
48 4XB2 HSE 0.0003158 0.44838 2.1021
49 4XB2 NDP 0.00007943 0.448 2.1021
50 1MV8 NAD 0.0001916 0.4465 2.1021
51 1BZL FAD 0.01387 0.42138 2.1021
52 4J1Q NDP 0.001189 0.42 2.1021
53 5EZ7 FAD 0.003249 0.41668 2.1021
54 2GSD NAD 0.0002272 0.41575 2.1021
55 1XDS SAM 0.01041 0.41572 2.1021
56 2RAB NAD 0.01037 0.41465 2.1021
57 2RAB FAD 0.005413 0.41251 2.1021
58 1XHC FAD 0.003804 0.41066 2.1021
59 4RPL 3UC 0.01987 0.40297 2.1021
60 1TZJ A3B 0.0397 0.4018 2.1021
61 4USR FAD 0.005386 0.40117 2.1021
62 1KNR FAD 0.00867 0.40039 2.1021
63 4RVU NDP 0.003228 0.41118 2.10843
64 1CER NAD 0.0005575 0.43591 2.1148
65 4FC7 NAP 0.001076 0.43931 2.16606
66 4FC7 COA 0.001076 0.43931 2.16606
67 1WMA NDP 0.001506 0.43436 2.17391
68 1WMA AB3 0.001506 0.43436 2.17391
69 1E7S NAP 0.0003135 0.4485 2.18069
70 1F06 NDP 0.002255 0.41736 2.1875
71 1F06 2NP 0.002255 0.41736 2.1875
72 2X6T NAP 0.00003118 0.46828 2.2409
73 3KO8 NAD 0.00004067 0.45262 2.24359
74 1VL8 NAP 0.0002161 0.42235 2.24719
75 1HYH NAD 0.000000007359 0.59388 2.26537
76 3TN7 NJP 0.0004748 0.43998 2.33463
77 2P3V SRT 0.04543 0.40135 2.34375
78 2PV7 NAD 0.0002185 0.44836 2.34899
79 2CFC NAD 0.0002083 0.44319 2.4
80 4MP8 NAD 0.0003817 0.45183 2.4024
81 5VKT NAP 0.000304 0.44603 2.4024
82 3CIF NAD 0.0005329 0.43501 2.4024
83 3CIF G3H 0.001066 0.43151 2.4024
84 4KOA NDP 0.004414 0.42572 2.4024
85 5JY6 NAD 0.00453 0.42003 2.4024
86 2IZ1 ATR 0.02031 0.41602 2.4024
87 4MP8 MLI 0.01432 0.41516 2.4024
88 5HJQ I3P 0.03072 0.41029 2.4024
89 1MO9 KPC 0.02567 0.40387 2.4024
90 5UAO FAD 0.006724 0.40489 2.40296
91 1ZQ9 SAM 0.000621 0.46026 2.45614
92 1EXF GLY 0.03964 0.41375 2.47934
93 2PK3 A2R 0.00001135 0.45918 2.49221
94 4NBT NAD 0.0001462 0.44914 2.5
95 3OA2 NAD 0.00002505 0.4786 2.51572
96 1JA9 NDP 0.003262 0.40852 2.55474
97 1DRV A3D 0.0006112 0.41299 2.5641
98 1EQ2 NAP 0.00006298 0.45676 2.58065
99 3WBF NAP 0.0005285 0.42843 2.62295
100 3WBF API 0.0006693 0.4068 2.62295
101 1VM6 NAD 0.00001181 0.48722 2.63158
102 1ZEM NAD 0.00001457 0.48826 2.67176
103 1NFQ NAI 0.00008783 0.47021 2.69231
104 1R6D NAD 0.0000174 0.52392 2.7027
105 1R6D DAU 0.00004632 0.50506 2.7027
106 3JV7 NAD 0.000003838 0.50099 2.7027
107 1BXK NAD 0.00002939 0.48375 2.7027
108 1LLU NAD 0.000004346 0.4745 2.7027
109 1O0S NAI 0.0001316 0.47229 2.7027
110 1EK6 NAI 0.0002967 0.47219 2.7027
111 1EK6 UPG 0.0005028 0.46429 2.7027
112 1SC6 NAD 0.000172 0.45874 2.7027
113 2DBZ NAP 0.0001559 0.45569 2.7027
114 4U7W NDP 0.0001454 0.45517 2.7027
115 4BVA T3 0.00039 0.45268 2.7027
116 4BVA NDP 0.0002381 0.4517 2.7027
117 1RKX NAD 0.00007014 0.44889 2.7027
118 1Y1P NMN AMP PO4 0.000149 0.43804 2.7027
119 3GGO NAI 0.00126 0.43548 2.7027
120 3GGO ENO 0.00126 0.43548 2.7027
121 1E3I CXF 0.00007564 0.42555 2.7027
122 2AQJ TRP 0.005328 0.42243 2.7027
123 2AQJ FAD 0.005536 0.42243 2.7027
124 2I3G NAP 0.0004755 0.42138 2.7027
125 1ZH8 NAP 0.002477 0.40771 2.7027
126 4B7X NAP 0.0007152 0.40583 2.7027
127 5TUK FAD 0.004063 0.40218 2.7027
128 1RYI FAD 0.008408 0.40189 2.7027
129 1HDG NAD 0.0009047 0.43086 2.71084
130 3A1S GDP 0.02374 0.40193 2.71318
131 4YCA NDP 0.002298 0.41178 2.72109
132 4ZA2 NAD 0.0003201 0.44359 2.7668
133 3JQ7 NAP 0.0001138 0.45928 2.77778
134 1C3V NDP 0.00003403 0.46303 2.85714
135 1XKQ NDP 0.001171 0.42735 2.85714
136 1XG5 NAP 0.000978 0.40892 2.86738
137 4ZRN NAD 0.0000234 0.4489 2.88462
138 1QXA GLY GLY GLY 0.02995 0.40835 2.97872
139 5JE8 NAD 0.00009014 0.47084 2.98013
140 1W8D NAP 0.0003876 0.44914 2.98013
141 1W73 NAP 0.0006005 0.44141 2.98013
142 3B9Q MLI 0.01534 0.42053 2.98013
143 1W6U NAP 0.001363 0.40651 2.98013
144 2VZ0 D64 0.0004414 0.47999 2.98507
145 2VZ0 NAP 0.0004414 0.47999 2.98507
146 2WD7 NAP 0.0001139 0.46097 2.98507
147 4GLL NAD 0.00002561 0.49123 3.003
148 1U8X NAD 0.0002209 0.45168 3.003
149 4RSL FAD 0.0006131 0.44234 3.003
150 3LST SAH 0.003209 0.4402 3.003
151 5FI3 NAP 0.0004307 0.44014 3.003
152 1EBF NAD 0.0002533 0.4349 3.003
153 2YVF FAD 0.009519 0.41306 3.003
154 2YVF NAD 0.009862 0.41306 3.003
155 1YKF NAP 0.001103 0.41302 3.003
156 4WAS COO 0.003676 0.41126 3.003
157 4WAS NAP 0.003777 0.41078 3.003
158 1ZMD NAI 0.003015 0.40997 3.003
159 1GET NAP 0.01619 0.40742 3.003
160 1N9G NAP 0.002001 0.40441 3.003
161 2F5Z FAD 0.008467 0.40361 3.003
162 1GET FAD 0.01968 0.40256 3.003
163 4IDC 1XX 0.001009 0.4299 3.01205
164 4IDC NDP 0.001009 0.4299 3.01205
165 2GCG NDP 0.00008504 0.45868 3.0303
166 1XHL NDP 0.0009671 0.42928 3.0303
167 3H8V ATP 0.0003043 0.40507 3.08219
168 2Z9I GLY ALA THR VAL 0.02889 0.40622 3.08642
169 2DKN NAI 0.00006401 0.46236 3.13725
170 4FN4 NAD 0.0002135 0.43752 3.14961
171 1RP0 AHZ 0.003947 0.40527 3.16901
172 2G5C NAD 0.0005164 0.43707 3.20285
173 2YY7 NAD 0.0001127 0.4644 3.20513
174 1PL6 572 0.0000178 0.49743 3.3033
175 1X7D ORN 0.00007131 0.48103 3.3033
176 1PL6 NAD 0.000005252 0.48046 3.3033
177 1X7D NAD 0.00004389 0.47701 3.3033
178 1H2B NAJ 0.00000792 0.47252 3.3033
179 2Q1W NAD 0.00009531 0.4388 3.3033
180 3TWO NDP 0.00004403 0.43747 3.3033
181 3SQP FAD 0.03148 0.4213 3.3033
182 1V59 FAD 0.005397 0.41345 3.3033
183 2V3A FAD 0.003772 0.413 3.3033
184 4BHL ARG 0.02572 0.40606 3.3033
185 1H6C NDP 0.005387 0.4057 3.3033
186 1LJ8 NAD 0.007298 0.40289 3.3033
187 2VVM FAD 0.007596 0.40273 3.3033
188 1X87 NAD 0.001667 0.4016 3.3033
189 4K28 NAD 0.0002462 0.45342 3.34572
190 4TQG NDP 0.0002663 0.44669 3.40557
191 1OMO NAD 0.00009552 0.45104 3.41615
192 4KWI NAP 0.0001411 0.40007 3.42205
193 3O03 NAP 0.0001194 0.45395 3.43643
194 4CQM NAP 0.0001427 0.44407 3.44828
195 3H4V DVP 0.00009011 0.48326 3.47222
196 3H4V NAP 0.0002548 0.46371 3.47222
197 3OID NDP 0.0004819 0.44256 3.48837
198 3O26 NDP 0.00082 0.42926 3.53698
199 2UYQ SAM 0.01865 0.42383 3.54839
200 3SJ7 NDP 0.00007705 0.46754 3.57143
201 5H81 NAP 0.00001933 0.51168 3.6036
202 1BW9 NAD 0.00004859 0.49479 3.6036
203 2O4C NAD 0.00001926 0.4944 3.6036
204 1GR0 NAD 0.00003304 0.49003 3.6036
205 1C1X NAD 0.00003238 0.48437 3.6036
206 1BXG NAD 0.0000396 0.47288 3.6036
207 3MJE NDP 0.0002912 0.44676 3.6036
208 2ZB3 NDP 0.0004227 0.43891 3.6036
209 1LVL NAD 0.001531 0.43511 3.6036
210 2V6G NAP 0.0006942 0.43353 3.6036
211 1VJT NAD 0.00008156 0.4314 3.6036
212 2B4R AES 0.0005388 0.42321 3.6036
213 2B4R NAD 0.0006955 0.41495 3.6036
214 4DPL NAP 0.001243 0.41069 3.6036
215 1E5Q NDP 0.001944 0.40733 3.6036
216 4A0S NAP 0.001778 0.4011 3.6036
217 3NUG NAD 0.00003305 0.48523 3.64372
218 3EUF BAU 0.01826 0.40398 3.65854
219 2YVJ NAI 0.001144 0.44837 3.66972
220 3FW3 GLC 0.0204 0.42906 3.7594
221 1JAY NAP 0.005245 0.40896 3.77358
222 3A4V PYR 0.00001034 0.45087 3.78549
223 3A4V NAD 0.00001034 0.45087 3.78549
224 4J7U YTZ 0.002866 0.42194 3.81944
225 4J7U NAP 0.002866 0.42194 3.81944
226 2AE2 NAP 0.000654 0.44595 3.84615
227 2AE2 PTO 0.000654 0.44595 3.84615
228 1RVV INI 0.03535 0.40048 3.8961
229 1Z6Z NAP 0.001542 0.41858 3.90071
230 2GZ3 NAP 0.00009547 0.48888 3.9039
231 3OND ADN 0.00009816 0.48733 3.9039
232 5M67 3D1 0.0001366 0.48242 3.9039
233 5M67 NAD 0.0001525 0.48043 3.9039
234 5M67 ADE 0.0001681 0.47867 3.9039
235 1U1I NAD 0.00001063 0.463 3.9039
236 2ZB4 5OP 0.0008795 0.43847 3.9039
237 2ZB4 NAP 0.000907 0.43676 3.9039
238 2B5W NAP 0.00004939 0.43578 3.9039
239 3ETG GLU 0.002234 0.43535 3.9039
240 3ETG NDP 0.002247 0.43524 3.9039
241 3ETG GTP 0.001662 0.4336 3.9039
242 3L4S 3PG 0.001394 0.42436 3.9039
243 3L4S NAD 0.00129 0.42436 3.9039
244 5U8U FAD 0.007676 0.41967 3.9039
245 2BRY FAD 0.002807 0.41236 3.9039
246 4TXI FAD 0.003753 0.40613 3.9039
247 1I8T FAD 0.006303 0.40503 3.9039
248 1DJN ADP 0.001348 0.4035 3.9039
249 5I39 FAD 0.007605 0.40072 3.9039
250 2PZM UDP 0.0002213 0.46847 3.93939
251 2PZM NAD 0.0002213 0.46847 3.93939
252 2HK9 NAP 0.001114 0.41807 4
253 1AE1 NAP 0.0006889 0.43644 4.0293
254 5THQ NDP 0.0001777 0.4551 4.04412
255 3RFV NAI 0.00001487 0.49333 4.11985
256 3RFV 15L 0.0000319 0.48463 4.11985
257 3WV8 ATP 0.0007919 0.40079 4.12844
258 4RDH AMP 0.004661 0.42844 4.16667
259 2HMT NAI 0.001202 0.40341 4.16667
260 5GT9 NAP 0.0006131 0.43564 4.18251
261 3GFB NAD 0.00001059 0.49901 4.2042
262 3NJ4 NAD 0.0008484 0.48361 4.2042
263 3NJ4 AFX 0.001194 0.4768 4.2042
264 2CDC NAP 0.0006487 0.46587 4.2042
265 1X14 NAD 0.0008046 0.45955 4.2042
266 3V1Y NAD 0.0004251 0.44053 4.2042
267 1UWK NAD 0.001363 0.4381 4.2042
268 3UOY NAP 0.009911 0.4161 4.2042
269 3UOY FAD 0.009911 0.4161 4.2042
270 1PGP 6PG 0.003941 0.41005 4.2042
271 4YRY NAD 0.009799 0.40831 4.2042
272 4C3Y FAD 0.006498 0.40646 4.2042
273 1RM0 NAI 0.00002587 0.40573 4.2042
274 4YRY FAD 0.008003 0.4037 4.2042
275 1RM0 D6P 0.00001751 0.40076 4.2042
276 4MO2 FDA 0.00737 0.40023 4.2042
277 1E3W NAD 0.00001535 0.47871 4.21456
278 1U7T NAD 0.00008938 0.46332 4.21456
279 1U7T TDT 0.00002105 0.41801 4.21456
280 1E6W NAD 0.00005411 0.45926 4.23077
281 4E13 NAD 0.0001075 0.43362 4.24028
282 5GZ6 NDP 0.0006624 0.45077 4.29448
283 5GZ6 7C3 0.001008 0.43567 4.29448
284 2F1K NAP 0.0005132 0.43732 4.30108
285 3JYN NDP 0.001463 0.42354 4.30769
286 3ICC NAP 0.0001634 0.43136 4.31373
287 5L53 NAP 0.0007552 0.4077 4.32099
288 2WSB NAD 0.0001874 0.46795 4.33071
289 4XYM COA 0.006162 0.4074 4.34783
290 1KYQ NAD 0.000286 0.4801 4.37956
291 1ZK4 NAP 0.0006755 0.44066 4.38247
292 5DP2 NAP 0.00216 0.41 4.38596
293 5L4S NAP 0.001241 0.4313 4.40252
294 5L4S 6KX 0.001241 0.4313 4.40252
295 1P77 ATR 0.004793 0.45042 4.41176
296 2JAP NDP 0.0001452 0.43793 4.45344
297 2JAH NDP 0.0007605 0.43198 4.45344
298 5CAE SIN 0.0006507 0.43742 4.47284
299 5CAE COA 0.0002634 0.43395 4.47284
300 5D4V SAH 0.000798 0.40794 4.47761
301 1NVM NAD 0.0001338 0.44001 4.48718
302 1R37 NAD 0.00000274 0.53286 4.5045
303 2JHF NAD 0.0001688 0.52118 4.5045
304 1CDO NAD 0.00001448 0.48911 4.5045
305 2FZW NAD 0.001335 0.4365 4.5045
306 3WQQ IB3 0.001624 0.43098 4.5045
307 3T31 DCQ 0.003475 0.42958 4.5045
308 3T31 FAD 0.003198 0.42958 4.5045
309 4KP7 NAP 0.003392 0.42356 4.5045
310 4KP7 1UQ 0.00368 0.41846 4.5045
311 1PR9 NAP 0.000455 0.44355 4.5082
312 3DXY SAM 0.009222 0.42215 4.58716
313 1G0N NDP 0.0002831 0.45828 4.59364
314 1G0N PHH 0.000363 0.45746 4.59364
315 3NGL NAP 0.000396 0.46038 4.71014
316 2Q46 NAP 0.0004577 0.43073 4.74308
317 1N7G GDR 0.0005292 0.46335 4.8048
318 1N7G NDP 0.001205 0.45705 4.8048
319 3ZNN FAD 0.009894 0.41029 4.8048
320 1PN0 IPH 0.009352 0.40607 4.8048
321 1E1M FAD 0.01108 0.40606 4.8048
322 1PN0 FAD 0.009562 0.40486 4.8048
323 1E6E FAD 0.005529 0.40416 4.8048
324 1K3T BRZ 0.005283 0.4015 4.8048
325 3QV1 NAD 0.0012 0.41209 4.87805
326 2JL1 NAP 0.001125 0.40048 4.87805
327 1ZBQ NAD 0.00008585 0.44169 4.89297
328 1O94 ADP 0.001494 0.42532 4.92424
329 4OSP NAP 0.0002014 0.45138 4.94297
330 2EV9 NAP 0.002332 0.41426 4.94297
331 2EV9 SKM 0.002332 0.41426 4.94297
332 1LSS NAD 0.0003041 0.41792 5
333 1ICV NIO 0.01255 0.42477 5.06912
334 2B4Q NAP 0.0008646 0.41608 5.07246
335 4W6Z 8ID 0.000009378 0.51484 5.1051
336 4RQU NAD 0.0000107 0.49182 5.1051
337 1WVG APR 0.00005917 0.46066 5.1051
338 4FWE FAD 0.006386 0.40864 5.1051
339 1H9A NAP 0.005161 0.40309 5.1051
340 2I80 G1L 0.0246 0.40116 5.1051
341 4XYB NDP 0.0001774 0.42281 5.11509
342 2GLX NDP 0.002546 0.4159 5.12048
343 1KOL NAD 0.000157 0.46598 5.27638
344 1EDO NAP 0.0000796 0.47188 5.32787
345 3RKR NAP 0.008422 0.42827 5.34351
346 2BKA NDP 0.002294 0.41045 5.3719
347 2ZAT NAP 0.002142 0.41302 5.38462
348 4R1S NAP 0.0001481 0.45848 5.40541
349 3H9E NAD 0.0003603 0.44334 5.40541
350 1WDK NAD 0.000298 0.42858 5.40541
351 4OOE NDP 0.002448 0.4107 5.40541
352 4X9M FAD 0.005416 0.4087 5.40541
353 1GAD NAD 0.0005778 0.42822 5.45455
354 2GAG NAD 0.006045 0.40369 5.49223
355 4YAG NAI 0.0002486 0.46528 5.53633
356 1N5D NDP 0.0008516 0.41152 5.55556
357 1GZ6 NAI 0.0001002 0.44482 5.64263
358 3U4C NDP 0.002698 0.40772 5.69395
359 3KB6 NAD 0.00005462 0.47156 5.70571
360 2BH9 NAP 0.0008248 0.46361 5.70571
361 4PVD NDP 0.00025 0.44234 5.70571
362 1YKJ PHB 0.004726 0.42743 5.70571
363 1YKJ FAD 0.004726 0.42743 5.70571
364 1YQD NAP 0.0001927 0.42574 5.70571
365 4D04 NAP 0.007811 0.41806 5.70571
366 4D04 FAD 0.007811 0.41806 5.70571
367 4UOX PLP 0.02303 0.40258 5.70571
368 4JBI NDP 0.002371 0.40194 5.70571
369 3A28 NAD 0.00002694 0.4696 5.81395
370 5MZI FYK 0.007305 0.41798 5.85683
371 5MZI FAD 0.007224 0.4175 5.85683
372 3B1F NAD 0.001179 0.43636 5.86207
373 5JCA NDP 0.01341 0.40732 5.98592
374 5JCA FAD 0.008036 0.40363 5.98592
375 2GDZ NAD 0.00009366 0.46593 5.99251
376 1P0F NAP 0.0000565 0.47773 6.00601
377 4XQC NAD 0.0002374 0.46721 6.00601
378 4XQC 13D 0.0002625 0.46651 6.00601
379 3SSO SAH 0.0008718 0.44564 6.00601
380 5LD5 NAD 0.0003816 0.42303 6.00601
381 2IXB NAD 0.001773 0.40206 6.00601
382 2BD0 NAP 0.0003451 0.42007 6.14754
383 1Q7B NAP 0.001057 0.41242 6.14754
384 1UAY ADN 0.00006758 0.52029 6.19835
385 3WLE NAD 0.000008304 0.51695 6.30631
386 1UP7 NAD 0.00002302 0.47745 6.30631
387 5A04 BGC 0.002605 0.43782 6.30631
388 5A04 NDP 0.002129 0.43782 6.30631
389 5KVS 6XR 0.004238 0.40529 6.30631
390 5KVS NAP 0.00183 0.40201 6.30631
391 1J5P NAD 0.0000054 0.51028 6.32411
392 4E5N NAD 0.0001781 0.43707 6.36364
393 4O0L NDP 0.0003286 0.42572 6.54545
394 4EIP FAD 0.008626 0.40589 6.55738
395 4EIP K2C 0.008626 0.40589 6.55738
396 1GQ2 NAP 0.00002803 0.47658 6.60661
397 5MSO NAP 0.0001899 0.44652 6.60661
398 4PIV NDP 0.0009103 0.42892 6.60661
399 2VHW NAI 0.000004475 0.52767 6.6313
400 5ITV NAI 0.00005309 0.47718 6.66667
401 1VBO MAN MAN MAN 0.02348 0.40852 6.71141
402 4NBU NAI 0.00002758 0.46365 6.8
403 2DTX BMA 0.00005011 0.48987 6.81818
404 4HXY NDP 0.00005881 0.47545 6.90691
405 3VY6 BGC BGC 0.004525 0.45961 7.0922
406 2DT5 NAD 0.000009226 0.49442 7.109
407 2DC1 NAD 0.000004381 0.51378 7.20339
408 1YB5 NAP 0.00007226 0.47657 7.20721
409 1VKO NAD 0.00001869 0.46529 7.20721
410 2C29 NAP 0.0001102 0.45352 7.20721
411 1U3U BNF 0.00004755 0.40819 7.20721
412 1U3U NAD 0.00004755 0.40819 7.20721
413 4NZ6 DGL 0.02499 0.41567 7.34824
414 5T9E NAP 0.002816 0.40252 7.38007
415 2VT3 ATP 0.00001578 0.42167 7.44186
416 1DXY NAD 0.00003861 0.47309 7.50751
417 4MRP GSH 0.02731 0.42479 7.50751
418 4BV6 FAD 0.007557 0.40378 7.50751
419 2CDU ADP 0.0002938 0.40252 7.50751
420 1YY5 FAD 0.009467 0.4025 7.50751
421 3IP5 ALA 0.04137 0.40183 7.58427
422 4Q3F TLA 0.007461 0.43923 7.69231
423 5T9F TYR 0.005594 0.40504 7.74908
424 5T9F NAP 0.006311 0.40186 7.74908
425 1J49 NAD 0.00003185 0.4824 7.80781
426 1D1T NAD 0.00001003 0.47383 7.80781
427 5JWC FAD 0.0009571 0.43338 7.80781
428 4J36 FAD 0.001754 0.42042 7.80781
429 4J36 1HR 0.003574 0.41899 7.80781
430 5BVA FAD 0.007134 0.40757 7.80781
431 4JJF FE9 0.003077 0.40408 7.80781
432 2VYN NAD 0.000619 0.43249 7.85498
433 3WCS MAN NAG GAL 0.02312 0.40617 7.87402
434 1DSS NAD 0.0002959 0.43491 8.10811
435 4A6D SAM 0.009563 0.40384 8.10811
436 1YS4 NAP 0.001252 0.40108 8.10811
437 1DIG NAP 0.0008057 0.41039 8.16993
438 1DIG L37 0.000856 0.40585 8.16993
439 2GUE NAG 0.001526 0.45281 8.19672
440 2GUD MAN 0.009087 0.42635 8.19672
441 2NUO BGC 0.01247 0.42471 8.19672
442 2GUC MAN 0.01074 0.4194 8.19672
443 1VL0 NAI 0.000183 0.44324 8.21918
444 1RPN NDP 0.0003872 0.40204 8.35821
445 3AD8 NAD 0.005398 0.40231 8.37438
446 4D3F NAP 0.001247 0.40254 8.3871
447 2FR1 NDP 0.00004402 0.45115 8.40841
448 2WPF WPF 0.008889 0.43101 8.40841
449 2WPF FAD 0.008299 0.43101 8.40841
450 1P31 EPU 0.005948 0.41627 8.40841
451 1D4D FAD 0.006776 0.40759 8.40841
452 4OPC FDA 0.03793 0.40193 8.40841
453 1GEG NAD 0.0002139 0.43738 8.59375
454 1Z45 NAD 0.00003179 0.46763 8.70871
455 1KEV NDP 0.0002715 0.41805 8.70871
456 2RGO FAD 0.003159 0.41501 8.70871
457 2E5V FAD 0.009435 0.40168 8.70871
458 5N53 8NB 0.01428 0.42727 8.71795
459 2HW1 FRU 0.02027 0.41942 8.72483
460 1NYT NAP 0.002852 0.41094 8.85609
461 1HKU NAD 0.00001223 0.47831 9.00901
462 1REO FAD 0.00659 0.40425 9.00901
463 1XSE NDP 0.0009842 0.43875 9.15254
464 3EGI ADP 0.00404 0.45433 9.2233
465 3WMX NAD 0.0001626 0.45689 9.30931
466 3CGD NAD 0.01879 0.4089 9.30931
467 3CGD FAD 0.01879 0.4089 9.30931
468 3CGD COA 0.01879 0.4089 9.30931
469 5JCM NAD 0.01589 0.40601 9.30931
470 5JCM ISD 0.01589 0.40601 9.30931
471 5JCM FAD 0.01538 0.40601 9.30931
472 3GD4 NAD 0.005452 0.40528 9.30931
473 4CME NAP 0.00004292 0.47738 9.375
474 5K6A NAP 0.0000501 0.4765 9.375
475 4CM9 NAP 0.00005648 0.47447 9.375
476 3JQ8 NAP 0.00009595 0.46552 9.375
477 5JDC NAP 0.0001161 0.46065 9.375
478 3JQ9 NAP 0.0001285 0.46059 9.375
479 4CLR NAP 0.0001185 0.4603 9.375
480 3JQF NAP 0.00005225 0.46003 9.375
481 5JDI NAP 0.000133 0.45836 9.375
482 4CLO NAP 0.0001317 0.45683 9.375
483 3JQG NAP 0.0001356 0.45634 9.375
484 3BMQ NAP 0.0000682 0.45588 9.375
485 4CM8 NAP 0.00009866 0.45557 9.375
486 3JQA NAP 0.0001427 0.45548 9.375
487 3BMO NAP 0.0001047 0.4546 9.375
488 4CMI NAP 0.0001073 0.45418 9.375
489 3BMN NAP 0.00007935 0.4536 9.375
490 3JQB NAP 0.0001701 0.45255 9.375
491 4CM4 NAP 0.0001272 0.45147 9.375
492 5JCJ NAP 0.0001365 0.45031 9.375
493 4II2 ATP 0.005253 0.41205 9.63855
494 4J4H 1J1 0.0005584 0.45507 9.65251
495 4J4H NAI 0.0005584 0.45507 9.65251
496 4JK3 NAD 0.0001266 0.45287 9.65251
497 1WP4 NDP 0.001177 0.42018 9.68858
498 5O4J PJL 0.0007205 0.43567 9.85401
499 5O4J 9KH 0.0008711 0.43373 9.85401
500 5O4J SAH 0.0008711 0.43373 9.85401
501 1F8F NAD 0.00002655 0.49202 9.90991
502 5DN9 NAD 0.00003981 0.48528 9.90991
503 2BGM NAJ 0.00008785 0.45917 10.0719
504 4NBW NAD 0.00004879 0.47345 10.1167
505 3GEG NAD 0.00004071 0.47648 10.1215
506 3LU1 NAD 0.0000167 0.477 10.1648
507 2Q2V NAD 0.001808 0.4199 10.1961
508 3CMC NAD 0.005084 0.42803 10.2102
509 2NU8 COA 0.0002292 0.45105 10.4167
510 5N2I NAP 0.001201 0.40043 10.7759
511 2NAD NAD 0.0003335 0.4516 10.8108
512 1MXH DHF 0.0002376 0.46134 10.8696
513 1MXH NAP 0.0003496 0.45459 10.8696
514 5AYV KPL 0.005077 0.40452 11.0032
515 1I2B NAD 0.00001691 0.52547 11.1111
516 1I2B UPG 0.01 0.43584 11.1111
517 1I2B USQ 0.01 0.43584 11.1111
518 3V1U NAD 0.00005725 0.46092 11.4114
519 5T2U NAP 0.0006823 0.4366 11.6935
520 3SJU NDP 0.001071 0.40727 13.2616
521 3WXB NDP 0.001127 0.40663 13.2616
522 2ZX2 RAM 0.04188 0.40471 13.3333
523 4K26 NDP 0.000733 0.41395 13.4058
524 1FEC FAD 0.005772 0.41312 13.8138
525 3LAD FAD 0.00593 0.40903 13.8138
526 2Q0L NAP 0.006944 0.42033 13.8264
527 3AFN NAP 0.001525 0.42282 13.9535
528 4YSX FAD 0.005556 0.40825 14.1844
529 4ZGS NAD 0.00005269 0.45915 14.4144
530 1T26 NAI 0.0000000004582 0.69923 14.5963
531 1T26 GBD 0.00064 0.51241 14.5963
532 2A92 NAI 0.000000004761 0.63774 14.9533
533 3CH6 NAP 0.003304 0.43341 15.3846
534 3CH6 311 0.003304 0.43341 15.3846
535 3D3W NAP 0.0004596 0.44338 15.5738
536 4GKV NAD 0.000009552 0.46367 16.0714
537 2QRK AMP 0.00003296 0.49586 16.2162
538 1PZG A3D 0.000000001203 0.57247 16.3142
539 1SOW NAD 0.0000000001419 0.69766 16.4634
540 2AG5 NAD 0.0007383 0.43103 16.6667
541 4PLG NAI 0.0000000002191 0.59438 16.8168
542 4PLG OXM 0.000003152 0.57649 16.8168
543 3QWI NAP 0.001311 0.42409 17.037
544 3QWI CUE 0.002407 0.42403 17.037
545 1LTH NAD 0.00000001037 0.63498 17.8683
546 9LDT NAD 0.0000000005775 0.67123 20.7831
547 9LDB NAD 0.0000000004275 0.63686 20.7831
548 2HJR APR 0.000000002958 0.66473 23.4756
549 2HJR CIT 0.00003232 0.55672 23.4756
550 3VPH NAD 0.00000003727 0.55395 24.1935
551 3VPH OXM 0.000000155 0.5197 24.1935
552 1V6A TRE 0.001166 0.48452 24.6988
553 1LDN NAD 0.000000001524 0.65476 25
554 1EZ4 NAD 0.0000002014 0.55997 32.0755
555 1A5Z NAD 0.000001992 0.55332 32.9154
556 4PLT OXM 0.000000001006 0.49133 32.9305
557 4PLT NAI 0.000000001182 0.48145 32.9305
558 1LDM NAD 0.000000001916 0.62357 34.6505
559 1I0Z NAI 0.0000000002047 0.65809 34.8348
560 2OOR NAD 0.003845 0.41467 36.2069
561 4ZVV GN0 0.00000004462 0.43632 37.0482
562 4ZVV NAD 0.00000004462 0.43632 37.0482
563 1HYE NAP 0.000000005898 0.59668 41.2141
Pocket No.: 3; Query (leader) PDB : 5MDH; Ligand: MAK; Similar sites found: 19
This union binding pocket(no: 3) in the query (biounit: 5mdh.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5LNQ CAA 0.01781 0.41274 1.8018
2 1ELU PDA 0.00711 0.42844 2.4024
3 4OMJ 2TX 0.04713 0.40531 3.59712
4 5X30 7XF 0.01168 0.4184 3.9039
5 5X30 4LM 0.01273 0.41461 3.9039
6 1T26 NAI 0.0001878 0.53047 14.5963
7 2A92 NAI 0.004666 0.46855 14.9533
8 3FO2 BZH 0.004877 0.43908 16.1572
9 1SOW OXL 0.00000000233 0.69671 16.4634
10 1SOW NAD 0.004683 0.46766 16.4634
11 4PLG OXM 0.009735 0.47921 16.8168
12 1LTH OXM 0.000001633 0.52951 17.8683
13 9LDB OXM 0.0000001205 0.6019 20.7831
14 9LDT OXM 0.0000001182 0.56078 20.7831
15 2HJR CIT 0.000000002958 0.58988 23.4756
16 1LDN OXM 0.00000002982 0.58721 25
17 1LDN NAD 0.02455 0.40584 25
18 1LDM OXM 0.000000102 0.62685 34.6505
19 1I0Z OXM 0.00000001255 0.6754 34.8348
Pocket No.: 4; Query (leader) PDB : 5MDH; Ligand: MAK; 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: 5mdh.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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