Receptor
PDB id Resolution Class Description Source Keywords
1M2W 1.8 Å EC: 1.1.1.67 PSEUDOMONAS FLUORESCENS MANNITOL 2-DEHYDROGENASE TERNARY COM NAD AND D-MANNITOL PSEUDOMONAS FLUORESCENS ROSSMANN FOLD DI-NUCLEOTIDE BINDING MOTIF LONG-CHAIN DEHYDPOLYOL DEHYDROGENASE SECONDARY ALCOHOL DEHYDROGENASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF PSEUDOMONAS FLUORESCENS MANNIT 2-DEHYDROGENASE BINARY AND TERNARY COMPLEXES. SPECI AND CATALYTIC MECHANISM J.BIOL.CHEM. V. 277 43433 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MTL A:5600;
B:6600;
Valid;
Valid;
none;
none;
submit data
182.172 C6 H14 O6 C([C@...
NAD A:5500;
B:6500;
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
1M2W 1.8 Å EC: 1.1.1.67 PSEUDOMONAS FLUORESCENS MANNITOL 2-DEHYDROGENASE TERNARY COM NAD AND D-MANNITOL PSEUDOMONAS FLUORESCENS ROSSMANN FOLD DI-NUCLEOTIDE BINDING MOTIF LONG-CHAIN DEHYDPOLYOL DEHYDROGENASE SECONDARY ALCOHOL DEHYDROGENASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF PSEUDOMONAS FLUORESCENS MANNIT 2-DEHYDROGENASE BINARY AND TERNARY COMPLEXES. SPECI AND CATALYTIC MECHANISM J.BIOL.CHEM. V. 277 43433 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1M2W - 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 2 families.
1 1M2W - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1M2W - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MTL; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 MTL 1 1
2 SOR 1 1
3 XYL 0.625 0.954545
4 RB0 0.625 0.954545
5 FOC 0.6 0.909091
6 RNT 0.6 0.909091
7 3BU 0.565217 0.909091
8 AOS 0.565217 0.909091
9 GLO 0.565217 0.909091
10 DNO 0.565217 0.909091
11 DTL 0.533333 0.954545
12 MRY 0.533333 0.954545
13 03W 0.5 0.826087
14 GCO 0.48 0.869565
15 CS2 0.48 0.869565
16 S6P 0.464286 0.636364
17 MMN 0.428571 0.617647
18 XLS 0.416667 0.909091
19 ROR 0.416667 0.909091
20 RB5 0.416667 0.909091
21 GOL 0.4 0.904762
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 : 1M2W; Ligand: NAD; Similar sites found: 446
This union binding pocket(no: 1) in the query (biounit: 1m2w.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3LXD FAD 0.002123 0.43158 1.20482
2 4GUT FAD 0.009754 0.41375 1.21704
3 4HSU FAD 0.01124 0.40932 1.21704
4 4GUS FAD 0.01177 0.40843 1.21704
5 4FWE FAD 0.0124 0.40656 1.21704
6 2JB2 FAD 0.01314 0.40178 1.22699
7 2JB2 PHE 0.01382 0.40178 1.22699
8 1BZL FAD 0.01152 0.43489 1.23457
9 2E5V FAD 0.01137 0.40996 1.27119
10 3A06 FOM 0.007263 0.40986 1.32979
11 3A06 NDP 0.00654 0.40958 1.32979
12 5DN9 NAD 0.002448 0.4265 1.37363
13 4EDF UPG 0.0004638 0.47326 1.41988
14 5JCM NAD 0.01227 0.42065 1.41988
15 5JCM FAD 0.0119 0.42065 1.41988
16 5JCM ISD 0.01227 0.42065 1.41988
17 2BRY FAD 0.005501 0.41159 1.41988
18 1SC6 NAD 0.0006541 0.4494 1.48515
19 3L4S NAD 0.005732 0.40963 1.4881
20 3L4S 3PG 0.006121 0.40963 1.4881
21 3S5W FAD 0.004727 0.4119 1.51188
22 1YKJ FAD 0.01002 0.42344 1.52284
23 1YKJ PHB 0.01002 0.42344 1.52284
24 4XYB NDP 0.002651 0.42627 1.53453
25 1E5Q NDP 0.001255 0.43323 1.55556
26 2NPX FAD 0.005733 0.41535 1.566
27 2NPX NAD 0.01319 0.41535 1.566
28 1H6C NDP 0.0003202 0.46923 1.61663
29 1H6C SIN 0.000706 0.45682 1.61663
30 1UWK NAD 0.001291 0.45167 1.62272
31 1UWK URO 0.001291 0.45167 1.62272
32 1MO9 KPC 0.004276 0.44948 1.62272
33 1MO9 FAD 0.004344 0.44862 1.62272
34 3ICS FAD 0.002795 0.42988 1.62272
35 3ICR FAD 0.002834 0.42852 1.62272
36 2VVL FAD 0.005684 0.41958 1.62272
37 2VVM FAD 0.00551 0.41918 1.62272
38 5TTJ FAD 0.01359 0.40114 1.63265
39 3CGB FAD 0.007565 0.41016 1.66667
40 4DPL NAP 0.0001507 0.47317 1.67131
41 4KQW NAP 0.008197 0.40539 1.71429
42 3B1F NAD 0.000404 0.44136 1.72414
43 2RAB FAD 0.004653 0.42621 1.72786
44 2RAB NAD 0.00959 0.42621 1.72786
45 1R37 NAD 0.007719 0.4065 1.72911
46 3H9E NAD 0.001954 0.42224 1.7341
47 1DLJ NAI 0.0002782 0.48506 1.74129
48 1DLJ UGA 0.0004841 0.47435 1.74129
49 2YYY NAP 0.0006339 0.44558 1.74927
50 5A04 BGC 0.0005253 0.48126 1.76991
51 5A04 NDP 0.0004271 0.48126 1.76991
52 2GVC FAD 0.008518 0.40353 1.78971
53 3KB6 NAD 0.003243 0.41464 1.79641
54 2IXB A2G 0.0008112 0.45306 1.8018
55 2IXB NAD 0.0005543 0.451 1.8018
56 1RYD NDP 0.0002918 0.47096 1.80879
57 1LDM NAD 0.00008616 0.48331 1.82371
58 3UCL NAP 0.01319 0.421 1.82556
59 1SOW NAD 0.0002863 0.46452 1.82927
60 1FEC FAD 0.004755 0.42758 1.83673
61 2FR1 NDP 0.00938 0.40058 1.85185
62 3CTY FAD 0.005682 0.42239 1.88088
63 3SQP FAD 0.03871 0.42529 1.88285
64 1V59 FAD 0.006051 0.42207 1.88285
65 2IVD FAD 0.004592 0.4184 1.88285
66 1EZ4 NAD 0.0009421 0.43531 1.88679
67 4XQC NAD 0.007952 0.41506 1.89474
68 4XQC 13D 0.01117 0.40943 1.89474
69 1GR0 NAD 0.00005999 0.49619 1.90736
70 2CDC XYP 0.02647 0.40519 1.91257
71 2CDC NAP 0.03257 0.401 1.91257
72 2CDC XYS 0.03257 0.401 1.91257
73 3CIF NAD 0.001465 0.43044 1.94986
74 3CIF G3H 0.002936 0.42557 1.94986
75 1LVL FAD 0.01036 0.41 1.96507
76 5JY6 NAD 0.00816 0.41964 1.96629
77 5JE8 NAD 0.0000246 0.48069 1.98676
78 1YB5 NAP 0.005581 0.41251 1.9943
79 2DFV NAD 0.006553 0.40197 2.01729
80 1O0S NAI 0.0002474 0.45374 2.0284
81 1RSG FAD 0.008525 0.41282 2.0284
82 1YY5 FAD 0.01012 0.41133 2.0284
83 1GTE FAD 0.0303 0.40007 2.0284
84 2B4R AES 0.002332 0.42344 2.02899
85 2B4R NAD 0.00267 0.42233 2.02899
86 4TM3 FAD 0.02896 0.40508 2.0316
87 3NJ4 NAD 0.001936 0.47925 2.06897
88 3NJ4 AFX 0.004667 0.46059 2.06897
89 3V1Y NAD 0.00125 0.43025 2.07715
90 4GKV NAD 0.002357 0.42844 2.08333
91 3FWN ATR 0.0051 0.41418 2.08333
92 4D7E FAD 0.01106 0.40201 2.0979
93 1N7G GDR 0.01464 0.41192 2.09974
94 1N7G NDP 0.02944 0.40529 2.09974
95 1J49 NAD 0.0006185 0.44602 2.1021
96 1DSS NAD 0.00132 0.42766 2.1021
97 2VHW NAI 0.0007927 0.45109 2.12202
98 4D42 NAP 0.009055 0.41762 2.12766
99 4D42 W0I 0.009055 0.41762 2.12766
100 1CDO NAD 0.005882 0.40249 2.13904
101 4U8P FDA 0.00913 0.4278 2.14425
102 4U8P UDP 0.009687 0.4278 2.14425
103 2FZW NAD 0.002762 0.43522 2.14477
104 4MO2 FDA 0.01122 0.40278 2.17391
105 3OA2 NAD 0.003472 0.41483 2.20126
106 2YG3 FAD 0.008666 0.41062 2.20751
107 5T9E NAP 0.0002636 0.4581 2.21402
108 1LDN NAD 0.000788 0.44459 2.21519
109 4OOE FOM 0.02124 0.41461 2.22772
110 4OOE NDP 0.02124 0.41461 2.22772
111 5U8U FAD 0.008773 0.42737 2.23124
112 5UAO FAD 0.008479 0.40905 2.23124
113 2ZXI FAD 0.00813 0.40881 2.23124
114 4HA6 FAD 0.0137 0.40465 2.23124
115 3GFB NAD 0.006058 0.40338 2.23124
116 4MOP 2H5 0.02365 0.40036 2.23124
117 3O9Z NAD 0.00273 0.43733 2.24359
118 3O9Z AKG 0.003726 0.43045 2.24359
119 1WPQ NAD 0.001926 0.41759 2.29226
120 1V8B NAD 0.001383 0.44074 2.29645
121 4M52 FAD 0.005813 0.42011 2.36052
122 4J1Q NDP 0.00299 0.41611 2.37069
123 2A8X FAD 0.007888 0.41521 2.37069
124 4XB2 NDP 0.00196 0.41729 2.38806
125 4XB2 HSE 0.004645 0.41348 2.38806
126 1E1M NAP 0.00309 0.44093 2.3913
127 1E1M FAD 0.00309 0.44093 2.3913
128 1PZG A3D 0.001719 0.43785 2.41692
129 2VYN NAD 0.002681 0.41951 2.41692
130 4E5N NAD 0.001445 0.43353 2.42424
131 1GAD NAD 0.004151 0.40875 2.42424
132 2CDU FAD 0.008426 0.40708 2.43363
133 1N1G BCP 0.000363 0.46431 2.43408
134 1GQ2 NAP 0.001336 0.43211 2.43408
135 2GMH FAD 0.008039 0.41831 2.43408
136 4BV6 FAD 0.006285 0.41767 2.43408
137 2YVF NAD 0.01971 0.40931 2.43408
138 2YVF FAD 0.0191 0.40931 2.43408
139 4G74 UQ5 0.02057 0.40011 2.43408
140 4G74 FAD 0.01224 0.40011 2.43408
141 1ZQ9 SAM 0.002242 0.40104 2.45614
142 2GZ3 NAP 0.003818 0.43353 2.45902
143 1LTH NAD 0.0001149 0.46923 2.50784
144 3LAD FAD 0.007222 0.41598 2.52101
145 4UP3 FAD 0.01272 0.40335 2.54777
146 3OJO NAD 0.0002407 0.45423 2.5522
147 2WPF WPF 0.0175 0.427 2.63692
148 2WPF FAD 0.01677 0.42661 2.63692
149 5EB4 FAD 0.004521 0.42292 2.63692
150 2V6O FAD 0.02487 0.41034 2.63692
151 3WQQ NDP 0.00771 0.41379 2.66393
152 3WQQ IB3 0.00771 0.41379 2.66393
153 4J4H 1J1 0.002397 0.44074 2.7027
154 4J4H NAI 0.002397 0.44074 2.7027
155 1Q0H FOM 0.01551 0.40397 2.70936
156 1Q0H NDP 0.01686 0.40397 2.70936
157 2HJR APR 0.000218 0.45597 2.7439
158 1MV8 NAD 0.0006208 0.44277 2.75229
159 1MUU NAD 0.0009727 0.4331 2.75229
160 1BXG NAD 0.000372 0.45194 2.80899
161 1BW9 NAD 0.001813 0.422 2.80899
162 1C1X NAD 0.0004744 0.42745 2.8169
163 4CJX NAP 0.003607 0.40974 2.82132
164 5X20 NAD 0.0002992 0.45409 2.83976
165 3NTA FAD 0.003682 0.42472 2.83976
166 3NTD FAD 0.004198 0.42225 2.83976
167 3NT6 FAD 0.004207 0.42221 2.83976
168 4EIP FAD 0.012 0.40975 2.83976
169 4EIP K2C 0.012 0.40975 2.83976
170 4ZGS NAD 0.00376 0.40743 2.84974
171 3ULK NDP 0.001486 0.41772 2.85132
172 3SJU NDP 0.002195 0.42591 2.86738
173 1HYE NAP 0.0002904 0.45092 2.8754
174 1H9A NAP 0.009792 0.4021 2.8866
175 2RH4 EMO 0.007096 0.41901 2.88809
176 3JV7 NAD 0.001124 0.43669 2.89855
177 1PGP 6PG 0.0008392 0.45003 2.90456
178 2HK9 NAP 0.002798 0.41581 2.90909
179 1HYH NAD 0.0005392 0.45151 2.91262
180 3WBF NAP 0.003832 0.41305 2.95082
181 3WBF API 0.005215 0.41258 2.95082
182 2IZ1 ATR 0.006123 0.40841 2.95359
183 4HXY NDP 0.002506 0.42349 2.96804
184 3T31 FAD 0.01988 0.40518 2.97483
185 3T31 DCQ 0.0213 0.40518 2.97483
186 1RPN NDP 0.01205 0.40041 2.98507
187 1DXY NAD 0.0006888 0.44091 3.003
188 1Q1R FAD 0.008917 0.40708 3.01624
189 5EOO CIT 0.005434 0.44412 3.01887
190 3OZ2 FAD 0.004486 0.42307 3.02267
191 1I36 NAP 0.000003033 0.53125 3.0303
192 2AG8 NAP 0.0002563 0.44529 3.04183
193 3B1J NAD 0.003215 0.4176 3.0426
194 1RM0 D6P 0.008792 0.41739 3.0426
195 3B20 NAD 0.002371 0.41561 3.0426
196 2D2I NAP 0.003676 0.40783 3.0426
197 4TXI FAD 0.007093 0.40571 3.0426
198 1RM0 NAI 0.01766 0.40147 3.0426
199 4KP7 NAP 0.01275 0.40939 3.0445
200 4KP7 1UQ 0.01243 0.40652 3.0445
201 3OND ADN 0.0011 0.45664 3.07377
202 3OND NAD 0.0011 0.45664 3.07377
203 3AFN NAP 0.005898 0.41031 3.10078
204 4OHU 2TK 0.0146 0.41198 3.11419
205 4OHU NAD 0.0146 0.41198 3.11419
206 5KVS 6XR 0.005905 0.41029 3.11688
207 5KVS NAP 0.003554 0.40843 3.11688
208 5J60 FAD 0.006082 0.41732 3.125
209 5M67 NAD 0.0008878 0.4617 3.13152
210 5M67 ADE 0.0009182 0.46105 3.13152
211 5M67 3D1 0.001065 0.45818 3.13152
212 2O4C NAD 0.0004755 0.4538 3.15789
213 4JDR FAD 0.003032 0.43148 3.16456
214 5GUD NDP 0.003691 0.42572 3.18471
215 5GUD 2IT 0.005198 0.41718 3.18471
216 2GN4 NDP 0.03984 0.41043 3.19767
217 2GN4 UD1 0.04403 0.40944 3.19767
218 1U3U BNF 0.002145 0.43904 3.20856
219 1U3U NAD 0.002145 0.43904 3.20856
220 1P0F NAP 0.002342 0.42604 3.21716
221 3WLE NAD 0.0007602 0.45187 3.22581
222 2GSD NAD 0.003223 0.42384 3.23383
223 1ZH8 NAP 0.0003989 0.45235 3.23529
224 1K3T BRZ 0.002002 0.4302 3.24544
225 3GDN HBX 0.009109 0.41905 3.24544
226 3GDN FAD 0.006534 0.41881 3.24544
227 5TUF FAD 0.009361 0.40062 3.24544
228 5TUF TDC 0.02939 0.40006 3.24544
229 3HAD NAD 0.002054 0.44551 3.24675
230 5BSH PRO 0.00006239 0.49242 3.2491
231 5E4R NAP 0.001584 0.42903 3.26531
232 3ABI NAD 0.0003889 0.45596 3.28767
233 3CMC NAD 0.01144 0.42267 3.29341
234 3Q3C NAD 0.0009426 0.43195 3.34448
235 3DAG FEG 0.005902 0.40096 3.35196
236 4EMI NAD 0.01799 0.41049 3.41463
237 4EMI FAD 0.007854 0.41049 3.41463
238 4YNU FAD 0.002409 0.43878 3.44828
239 5N2I NAP 0.000468 0.43426 3.44828
240 2AQJ TRP 0.008342 0.42441 3.44828
241 2AQJ FAD 0.008637 0.42441 3.44828
242 4YNU LGC 0.01076 0.41349 3.44828
243 2QA1 FAD 0.01162 0.40002 3.44828
244 2JHF NAD 0.008944 0.45108 3.47594
245 4XZ3 COA 0.0003425 0.44802 3.47826
246 4NTD FAD 0.006752 0.41333 3.52941
247 3CGD NAD 0.02277 0.4142 3.54167
248 3CGD FAD 0.02277 0.4142 3.54167
249 3CGD COA 0.02277 0.4142 3.54167
250 1GET NAP 0.01764 0.41512 3.55556
251 1GET FAD 0.01695 0.41477 3.55556
252 5VKT NAP 0.002377 0.42309 3.59116
253 5CG1 NAD BBN 0.02856 0.40187 3.60656
254 4ZVV GN0 0.0005466 0.4789 3.61446
255 4ZVV NAD 0.0005466 0.4789 3.61446
256 1HDG NAD 0.002628 0.40241 3.61446
257 1CER NAD 0.00165 0.40862 3.62538
258 1HKU NAD 0.0005943 0.40528 3.63128
259 2ZJ1 NAD 0.002059 0.44719 3.65112
260 2ZJ1 ARJ 0.002117 0.44665 3.65112
261 1X87 NAD 0.0008005 0.43306 3.65112
262 3ETG NDP 0.00589 0.42833 3.65112
263 3ETG GTP 0.004232 0.42802 3.65112
264 3ETG GLU 0.006329 0.42693 3.65112
265 4OPC FDA 0.0431 0.40758 3.65112
266 1XHL NDP 0.007145 0.40558 3.7037
267 4K28 NAD 0.000446 0.44698 3.71747
268 2BKA NDP 0.005675 0.40594 3.71901
269 1JAY NAP 0.0007054 0.43225 3.77358
270 1QG6 NAD 0.01417 0.40401 3.83142
271 1QG6 TCL 0.01417 0.40401 3.83142
272 1OMO NAD 0.0001115 0.46976 3.85396
273 3MJE NDP 0.003297 0.41714 3.85396
274 4JK3 NAD 0.0006853 0.441 3.861
275 5LD5 NAD 0.001917 0.41768 3.91061
276 1J0X NAD 0.002439 0.43759 3.91566
277 1DIG L37 0.003298 0.42102 3.92157
278 1DIG NAP 0.00308 0.42102 3.92157
279 4DSG UDP 0.02959 0.40055 3.92562
280 4DSG FAD 0.02959 0.40055 3.92562
281 2CVQ NDP 0.005389 0.40687 3.97554
282 4RQU NAD 0.001966 0.42513 4
283 3RC1 NAP 0.008656 0.40764 4
284 3RC1 TLO 0.008559 0.40459 4
285 1AE1 NAP 0.009272 0.40197 4.0293
286 1WDK NAD 0.0008619 0.43176 4.0568
287 2WET FAD 0.004103 0.42575 4.0568
288 2NU8 COA 0.0006217 0.44275 4.12371
289 4L8V NAP 0.001257 0.43466 4.1543
290 1NVT NAP 0.001478 0.42398 4.18118
291 4E13 NAD 0.002112 0.41025 4.24028
292 2AHR NAP 0.001017 0.43851 4.2471
293 2Z3Y F2N 0.004378 0.42645 4.25963
294 5MBX FAD 0.02209 0.4031 4.25963
295 5MBX SP5 0.02209 0.4031 4.25963
296 2NAD NAD 0.003395 0.42288 4.3257
297 1T26 NAI 0.0003569 0.47308 4.34783
298 1I8T FAD 0.01203 0.40345 4.35967
299 5H81 NAP 0.003536 0.40376 4.37018
300 4YCA NDP 0.00002442 0.50067 4.42177
301 5T9F TYR 0.0003224 0.4691 4.42804
302 5T9F NAP 0.0003179 0.46808 4.42804
303 4XDY NAI 0.0009105 0.43592 4.43787
304 1RM4 NDP 0.003387 0.41386 4.45104
305 5FI3 NAP 0.001246 0.43482 4.48179
306 5G3U FDA 0.004017 0.42308 4.49173
307 2I3G NAP 0.002446 0.42393 4.54545
308 2EXX NAP 0.008347 0.40506 4.57516
309 1F8F NAD 0.004625 0.40531 4.58221
310 4W6Z 8ID 0.006481 0.41198 4.61095
311 2Q7V FAD 0.01114 0.4068 4.61538
312 1W6U NAP 0.00558 0.40042 4.63576
313 4XDZ NDP 0.001533 0.425 4.66472
314 1NAA 6FA 0.004266 0.42787 4.66531
315 3FG2 FAD 0.003996 0.41749 4.66531
316 3AYI FAD 0.01527 0.40894 4.66531
317 3AYI HCI 0.01585 0.40894 4.66531
318 1NAA ABL 0.02035 0.40402 4.66531
319 2A92 NAI 0.0003528 0.4607 4.6729
320 1LLU NAD 0.0007468 0.44966 4.67836
321 4JNA FAD 0.008906 0.41198 4.70588
322 1REO FAD 0.007522 0.41231 4.73251
323 1J5P NAD 0.00267 0.41815 4.74308
324 1CF2 NAP 0.000147 0.46856 4.74777
325 1EBF NAD 0.002221 0.41676 4.7486
326 2DBZ NAP 0.001862 0.42611 4.79042
327 2C7G ODP 0.006641 0.42674 4.82456
328 2C7G FAD 0.006951 0.42658 4.82456
329 1GUZ NAD 0.0001852 0.46781 4.83871
330 1GV0 NAD 0.0002109 0.46707 4.83871
331 5AYV KPL 0.00007427 0.4937 4.85437
332 5AYV NAP 0.00004684 0.48305 4.85437
333 4JJF N2I 0.001396 0.43276 4.94186
334 4JJF FE9 0.001217 0.43229 4.94186
335 1YJQ NAP 0.00007542 0.49048 4.9505
336 3U4C NDP 0.0007255 0.44314 4.98221
337 5L4S 6KX 0.01171 0.40197 5.03145
338 5L4S NAP 0.01171 0.40197 5.03145
339 3VZS NAP 0.009319 0.41291 5.05837
340 3VZS CAA 0.02625 0.40536 5.05837
341 3E1T FAD 0.0133 0.40522 5.07099
342 3NGL NAP 0.002716 0.40424 5.07246
343 4YSX FAD 0.01424 0.40213 5.12821
344 1ZK7 FAD 0.004682 0.42699 5.13919
345 1X7D NAD 0.001317 0.43237 5.14286
346 1X7D ORN 0.002618 0.43 5.14286
347 3RNM FAD 0.006126 0.42004 5.17241
348 3CH6 NAP 0.02867 0.40179 5.24476
349 3CH6 311 0.02867 0.40179 5.24476
350 2Q0L FAD 0.009814 0.40921 5.27383
351 2NVK FAD 0.003762 0.4274 5.32787
352 1Z82 NDP 0.002309 0.42076 5.37313
353 4NTC FAD 0.01536 0.40068 5.37313
354 1XSE NDP 0.01389 0.40168 5.42373
355 2B4Q NAP 0.002166 0.42478 5.43478
356 5FJN FAD 0.008656 0.41253 5.48246
357 5FJN BE2 0.009945 0.41253 5.48246
358 1WP4 NDP 0.0001283 0.47274 5.53633
359 2CVZ NDP 0.0003925 0.45098 5.53633
360 1F06 NDP 0.007989 0.40231 5.625
361 3BAZ NAP 0.001361 0.41377 5.70571
362 9LDT NAD 0.0001907 0.47046 5.72289
363 9LDB NAD 0.0001998 0.46961 5.72289
364 3TWO NDP 0.003446 0.4226 5.74713
365 2ZAT NAP 0.003106 0.41823 5.76923
366 2AE2 NAP 0.00683 0.41512 5.76923
367 2AE2 PTO 0.00683 0.41512 5.76923
368 4MP8 NAD 0.001523 0.44012 5.8997
369 3RJ5 NAD 0.006255 0.41477 5.90551
370 3KLJ FAD 0.005668 0.41104 5.97403
371 5BUK FAD 0.01244 0.40737 6
372 1KOL NAD 0.01108 0.40197 6.03015
373 2VT3 ATP 0.0002722 0.41744 6.04651
374 2F1K NAP 0.00007821 0.47984 6.09319
375 5BVA FAD 0.006008 0.42132 6.11247
376 3GGO ENO 0.0001714 0.48583 6.36943
377 3GGO NAI 0.0001714 0.48583 6.36943
378 2EV9 NAP 0.008351 0.40271 6.46388
379 2EV9 SKM 0.008351 0.40271 6.46388
380 2HQM FAD 0.00879 0.41223 6.47182
381 2JAP NDP 0.006903 0.40498 6.47773
382 1KEV NDP 0.00175 0.43394 6.49087
383 3ITJ FAD 0.01244 0.41066 6.50888
384 4PIV NDP 0.005481 0.40919 6.69371
385 3ORF NAD 0.003246 0.41605 6.77291
386 2DTX BMA 0.005873 0.41698 6.81818
387 5T2U NAP 0.006481 0.40857 6.85484
388 1XHC FAD 0.004171 0.4202 7.08447
389 1QMG APX 0.004555 0.40241 7.09939
390 2G5C NAD 0.00006449 0.48857 7.11744
391 5UAV TFB 0.00002911 0.51252 7.14286
392 5UAV NDP 0.00002911 0.51252 7.14286
393 2Q1S NAI 0.01262 0.40623 7.1618
394 4PLG NAI 0.0004737 0.46191 7.18563
395 4PLG OXM 0.04513 0.40101 7.18563
396 1D1T NAD 0.001135 0.43931 7.23861
397 1NPD NAD 0.004634 0.40372 7.29167
398 1X1T NAD 0.008457 0.40367 7.30769
399 3QV1 NAD 0.003727 0.40916 7.31707
400 1Q7B NAP 0.005981 0.40631 7.37705
401 1I0Z NAI 0.0002083 0.46729 7.50751
402 1O6Z NAD 0.00227 0.41638 7.59076
403 2GAG NAD 0.004812 0.41863 7.61905
404 3SJ7 NDP 0.005093 0.4079 7.93651
405 3F8D FAD 0.0178 0.41607 8.04954
406 4BVA NDP 0.001809 0.42944 8.0597
407 4BVA T3 0.003712 0.42456 8.0597
408 2HMT NAI 0.004179 0.40049 8.33333
409 2DC1 NAD 0.007023 0.40072 8.47458
410 3VPH OXM 0.0007483 0.45091 8.70968
411 3VPH NAD 0.001561 0.43479 8.70968
412 3GD4 FAD 0.007754 0.4097 8.72211
413 3GD4 NAD 0.04109 0.40054 8.72211
414 4BJZ P3A 0.01811 0.41572 8.72641
415 4D3F NAP 0.0001305 0.46137 8.92495
416 2PV7 NAD 0.00003252 0.49742 9.0604
417 1A5Z NAD 0.0007866 0.42956 9.40439
418 1ZMD FAD 0.005904 0.42074 9.53347
419 1YQZ FAD 0.01243 0.41719 9.73631
420 5JWC FAD 0.01085 0.40129 9.73631
421 1H2B NAJ 0.001736 0.43283 9.7493
422 1C3V NDP 0.002606 0.42277 9.79592
423 5U5G NAP 0.0001971 0.46669 9.83051
424 2V3A FAD 0.009583 0.40675 9.89583
425 4XYM COA 0.0005423 0.46405 10
426 1H82 GZZ 0.006944 0.43009 10.1695
427 1H82 FAD 0.005813 0.43009 10.1695
428 5KKA 6V0 0.0009914 0.44178 10.2564
429 3AD8 NAD 0.009438 0.40278 11.1111
430 1YQD NAP 0.003067 0.42235 11.7486
431 2F5Z FAD 0.006242 0.41968 12.5
432 2GCG NDP 0.0002594 0.46173 12.7273
433 4EMJ FAD 0.008641 0.4097 13.0841
434 5CAE SIN 0.001583 0.43452 13.4177
435 5CAE COA 0.0009243 0.4323 13.4177
436 2QRK AMP 0.003242 0.4271 13.9594
437 4RPL FAD 0.02438 0.40626 15.0376
438 4RPL 3UC 0.0279 0.40527 15.0376
439 1UXG NAD 0.0001997 0.4793 15.8576
440 2V3B FAD 0.01164 0.40208 16.3636
441 3QFA FAD 0.003372 0.43046 17.2414
442 4J56 FAD 0.009059 0.41345 17.5439
443 2WYV NAD 0.008236 0.40049 19.1571
444 4TSK NDP 0.002638 0.41687 19.7143
445 1NVM NAD 0.0002032 0.46929 22.1154
446 2DT5 NAD 0.00004958 0.49162 22.7488
Pocket No.: 2; Query (leader) PDB : 1M2W; Ligand: MTL; Similar sites found: 23
This union binding pocket(no: 2) in the query (biounit: 1m2w.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KFL ME8 0.01878 0.41729 1.21704
2 2NYA MGD 0.04713 0.41061 1.21704
3 5LI1 ANP 0.02111 0.40908 1.41243
4 3FWN ATR 0.03167 0.41431 2.08333
5 3FWN 6PG 0.01524 0.41431 2.08333
6 3K87 FAD 0.04677 0.4042 2.16216
7 3LAD FAD 0.03729 0.41747 2.52101
8 3SRV S19 0.02213 0.40117 2.52708
9 4KS1 2H8 0.02703 0.40232 2.5641
10 3TIC ZMR 0.02264 0.40117 2.77186
11 2IZ1 RES 0.03123 0.40241 2.95359
12 2IZ1 ATR 0.04793 0.40211 2.95359
13 4H53 SLB 0.01306 0.41136 3.35052
14 1LYX PGA 0.04633 0.40732 3.62903
15 1JGU HBC 0.01369 0.40013 4.14747
16 3EEB IHP 0.019 0.40477 4.78469
17 1YJQ NAP 0.04816 0.40494 4.9505
18 1ZK7 FAD 0.03492 0.42205 5.13919
19 3EXH TPP 0.0287 0.40211 5.75916
20 4G6I RS3 0.01541 0.43078 6.66667
21 1ZMD FAD 0.03428 0.4202 9.53347
22 2F5Z FAD 0.04636 0.41339 12.5
23 3QFA FAD 0.04671 0.41339 17.2414
Pocket No.: 3; Query (leader) PDB : 1M2W; Ligand: MTL; Similar sites found: 6
This union binding pocket(no: 3) in the query (biounit: 1m2w.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1QPB TPP 0.03451 0.4037 2.83976
2 1QPB PYM 0.03833 0.40126 2.83976
3 4Q9M 2ZW 0.01155 0.41951 3.65854
4 4GZP G39 0.02003 0.40365 5.27383
5 1KIJ NOV 0.01746 0.4103 5.38462
6 4WNK 453 0.04018 0.40263 5.88235
Pocket No.: 4; Query (leader) PDB : 1M2W; Ligand: NAD; Similar sites found: 23
This union binding pocket(no: 4) in the query (biounit: 1m2w.bio2) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1T9D FAD 0.04225 0.40465 1.62272
2 1T9D PYD 0.04225 0.40465 1.62272
3 1T9D 1MM 0.04318 0.40465 1.62272
4 1G8S MET 0.006875 0.43703 1.73913
5 5THQ NDP 0.009285 0.40109 1.83824
6 3IHG FAD 0.008598 0.40122 2.0284
7 1A27 NAP 0.006147 0.40875 2.42215
8 4TQG NDP 0.007407 0.40398 2.47678
9 4O0L NDP 0.009586 0.40175 2.63692
10 2GLX NDP 0.006268 0.40128 2.63692
11 4K26 NDP 0.009583 0.40175 2.89855
12 5GUD CIT 0.01212 0.40299 3.18471
13 3O26 NDP 0.009819 0.40005 4.18006
14 2BGM NAJ 0.007168 0.40182 4.31655
15 1ME8 RVP 0.009611 0.4074 4.86815
16 1F06 2NP 0.00977 0.40491 5.625
17 5KMS FAD 0.01365 0.40073 5.67901
18 1EDO NAP 0.01098 0.40042 6.55738
19 3QWI CUE 0.01637 0.40206 6.66667
20 1G0N NDP 0.01379 0.40255 7.06714
21 3TN7 NJP 0.009473 0.40197 8.17121
22 5EPO NAP 0.007257 0.40567 9.16031
23 1XKQ NDP 0.01026 0.40286 9.28571
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