Receptor
PDB id Resolution Class Description Source Keywords
3RNM 2.4 Å EC: 1.8.1.4 THE CRYSTAL STRUCTURE OF THE SUBUNIT BINDING OF HUMAN DIHYDR TRANSACYLASE (E2B) BOUND TO HUMAN DIHYDROLIPOAMIDE DEHYDROG HOMO SAPIENS PROTEIN-PROTEIN INTERACTION REDOX PROTEIN MITOCHONDRION OXIDOREDUCTASE-PROTEIN BINDING COMPLEX
Ref.: STRUCTURAL AND THERMODYNAMIC BASIS FOR WEAK INTERAC BETWEEN DIHYDROLIPOAMIDE DEHYDROGENASE AND SUBUNIT-DOMAIN OF THE BRANCHED-CHAIN {ALPHA}-KETOACID DEHYD COMPLEX. J.BIOL.CHEM. V. 286 23476 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BME A:500;
B:500;
C:500;
D:500;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
78.133 C2 H6 O S C(CS)...
FAD A:480;
B:480;
C:480;
D:480;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
NHE A:475;
B:475;
C:475;
D:475;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
207.29 C8 H17 N O3 S C1CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3RNM 2.4 Å EC: 1.8.1.4 THE CRYSTAL STRUCTURE OF THE SUBUNIT BINDING OF HUMAN DIHYDR TRANSACYLASE (E2B) BOUND TO HUMAN DIHYDROLIPOAMIDE DEHYDROG HOMO SAPIENS PROTEIN-PROTEIN INTERACTION REDOX PROTEIN MITOCHONDRION OXIDOREDUCTASE-PROTEIN BINDING COMPLEX
Ref.: STRUCTURAL AND THERMODYNAMIC BASIS FOR WEAK INTERAC BETWEEN DIHYDROLIPOAMIDE DEHYDROGENASE AND SUBUNIT-DOMAIN OF THE BRANCHED-CHAIN {ALPHA}-KETOACID DEHYD COMPLEX. J.BIOL.CHEM. V. 286 23476 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 3RNM - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 3RNM - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3RNM - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FAD; Similar ligands found: 119
No: Ligand ECFP6 Tc MDL keys Tc
1 FAS 1 1
2 FAD 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 DAL FAD PER 0.772414 0.951807
7 FAE 0.751773 0.987654
8 SFD 0.651007 0.860215
9 FDA 0.641892 0.906977
10 FNK 0.602564 0.876405
11 62F 0.572327 0.939024
12 F2N 0.566265 0.886364
13 FMN 0.543307 0.876543
14 FA9 0.526316 0.939759
15 6YU 0.516304 0.860215
16 CNV FAD 0.511905 0.908046
17 P6G FDA 0.511628 0.908046
18 FAD NBT 0.508876 0.83871
19 A2D 0.504065 0.875
20 P5F 0.491329 0.941176
21 FAD CNX 0.488506 0.8125
22 APR 0.488372 0.851852
23 AR6 0.488372 0.851852
24 AGS 0.484615 0.811765
25 SAP 0.484615 0.811765
26 M33 0.484375 0.864198
27 BA3 0.484127 0.875
28 FAD NBA 0.480663 0.802083
29 ATP 0.48062 0.851852
30 B4P 0.480315 0.875
31 ADP 0.480315 0.851852
32 AP5 0.480315 0.875
33 ANP 0.477273 0.831325
34 AQP 0.476923 0.851852
35 5FA 0.476923 0.851852
36 48N 0.469388 0.902439
37 OAD 0.467626 0.876543
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AD9 0.462121 0.831325
41 3OD 0.460993 0.876543
42 RBF 0.460938 0.790123
43 FB0 0.460606 0.835165
44 139 0.460526 0.858824
45 AP0 0.46 0.835294
46 A22 0.459854 0.864198
47 ACP 0.458015 0.853659
48 8QN 0.456522 0.864198
49 PRX 0.454545 0.831325
50 A1R 0.453237 0.86747
51 G3A 0.452055 0.902439
52 T5A 0.45098 0.872093
53 G5P 0.44898 0.902439
54 ATF 0.448529 0.821429
55 50T 0.44697 0.819277
56 ACQ 0.444444 0.853659
57 PAJ 0.442857 0.847059
58 ADQ 0.442857 0.853659
59 5AL 0.441176 0.864198
60 ADX 0.439394 0.775281
61 CA0 0.439394 0.853659
62 A4P 0.437909 0.831461
63 25L 0.4375 0.864198
64 P33 FDA 0.436464 0.817204
65 5SV 0.435714 0.793103
66 TXE 0.434211 0.890244
67 OMR 0.434211 0.818182
68 ABM 0.434109 0.829268
69 A 0.433071 0.82716
70 AMP 0.433071 0.82716
71 4AD 0.432624 0.855422
72 ADJ 0.432258 0.818182
73 BIS 0.430556 0.802326
74 SRA 0.429688 0.788235
75 AFH 0.42953 0.825581
76 TXD 0.427632 0.890244
77 NXX 0.427632 0.865854
78 UP5 0.427632 0.878049
79 DND 0.427632 0.865854
80 6V0 0.427632 0.857143
81 SRP 0.42446 0.843373
82 PR8 0.423611 0.837209
83 TAT 0.423358 0.821429
84 AMO 0.422535 0.865854
85 PTJ 0.42069 0.835294
86 FYA 0.42069 0.864198
87 TXA 0.42069 0.865854
88 CNA 0.420382 0.865854
89 00A 0.41958 0.823529
90 AHX 0.41958 0.835294
91 MAP 0.41844 0.811765
92 NAI 0.418301 0.845238
93 AU1 0.41791 0.831325
94 AP2 0.416667 0.843373
95 A12 0.416667 0.843373
96 25A 0.415493 0.851852
97 AMP MG 0.415385 0.785714
98 COD 0.415094 0.842697
99 ADP BEF 0.414815 0.77907
100 BEF ADP 0.414815 0.77907
101 4TC 0.412903 0.879518
102 APC 0.411765 0.843373
103 NB8 0.410959 0.835294
104 ME8 0.410959 0.806818
105 1ZZ 0.410959 0.806818
106 4UW 0.409091 0.825581
107 NAX 0.409091 0.837209
108 RBY 0.408759 0.843373
109 ADV 0.408759 0.843373
110 ADP MG 0.407407 0.797619
111 P1H 0.405882 0.818182
112 OOB 0.405594 0.864198
113 A A 0.40411 0.829268
114 LAD 0.40411 0.825581
115 UPA 0.403846 0.86747
116 4UU 0.401316 0.833333
117 A3D 0.401235 0.876543
118 DLL 0.4 0.864198
119 XAH 0.4 0.806818
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3RNM; Ligand: FAD; 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: 3rnm.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3RNM; Ligand: FAD; Similar sites found: 519
This union binding pocket(no: 2) in the query (biounit: 3rnm.bio1) has 44 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3L9W AMP 0.00005133 0.41297 1.21065
2 2AQJ FAD 0.000001798 0.51239 1.21212
3 2AQJ TRP 0.000001855 0.51087 1.21212
4 1HYH NAD 0.00007968 0.47596 1.61812
5 1E5Q NDP 0.004198 0.41358 1.77778
6 3UC5 ATP 0.0287 0.40655 1.91083
7 1E1M FAD 0.00000001187 0.5809 2.17391
8 1E1M NAP 0.00000001187 0.5214 2.17391
9 1J0X NAD 0.0006075 0.41249 2.40964
10 1CER NAD 0.0002346 0.47091 2.41692
11 3JQB NAP 0.005786 0.4104 2.43056
12 4CMI NAP 0.005073 0.41026 2.43056
13 3BMQ NAP 0.004671 0.40928 2.43056
14 3BMO NAP 0.005396 0.40918 2.43056
15 5JCJ NAP 0.00554 0.40871 2.43056
16 3JQA NAP 0.006544 0.40821 2.43056
17 3JQF NAP 0.005098 0.40777 2.43056
18 4CM4 NAP 0.006069 0.40711 2.43056
19 3JQG NAP 0.007117 0.40671 2.43056
20 3BMN NAP 0.006344 0.40399 2.43056
21 3G2O SAM 0.001621 0.45983 2.67559
22 2AHR NAP 0.007542 0.4033 2.7027
23 1HGX 5GP 0.0396 0.4128 2.73224
24 1Q8Q MAN MMA 0.02772 0.419 2.77778
25 1Q8S MAN MMA 0.02859 0.41844 2.77778
26 2GND MAN 0.04747 0.41378 2.77778
27 3S5W FAD 0.0000001901 0.48338 2.80778
28 1A5Z NAD 0.00003341 0.52394 2.82132
29 3I9U DTU 0.01856 0.42056 3.04183
30 1U1I NAD 0.002803 0.40858 3.06122
31 2C7G FAD 0.0000000203 0.57566 3.07018
32 2C7G ODP 0.00000003633 0.56574 3.07018
33 1VE3 SAM 0.02647 0.40236 3.0837
34 5UJ3 CE4 0.0233 0.40795 3.10345
35 2O07 MTA 0.0001952 0.4707 3.28947
36 2O07 SPD 0.0003048 0.4563 3.28947
37 5BUK FAD 0.000000005815 0.57913 3.33333
38 3FPF MTA 0.0004257 0.42654 3.3557
39 3FPF TNA 0.0004257 0.42654 3.3557
40 1NF8 BOG 0.02411 0.43386 3.38164
41 3CBG SAH 0.0001428 0.51467 3.44828
42 3WBF NAP 0.0006422 0.44645 3.44828
43 1XCL SAH 0.0003853 0.44633 3.44828
44 2NU8 COA 0.001341 0.43939 3.44828
45 3WBF API 0.001672 0.41935 3.44828
46 1RPN NDP 0.00575 0.40117 3.44828
47 2B5W NAP 0.004012 0.40064 3.44828
48 2I7C AAT 0.001458 0.4216 3.53357
49 3BAZ NAP 0.002587 0.43039 3.6036
50 2JB2 FAD 0.00000006984 0.55792 3.68098
51 2JB2 PHE 0.00000008791 0.55036 3.68098
52 2PV7 NAD 0.0004248 0.45687 3.69128
53 1F3L SAH 0.005271 0.42589 3.83838
54 1E6E FAD 0.000000001262 0.56979 3.90625
55 1VI2 NAD 0.0005873 0.46843 4
56 1P1C SAH 0.0000105 0.40339 4.0201
57 1YKJ PHB 0.0000007448 0.52875 4.06091
58 1YKJ FAD 0.0000007448 0.52875 4.06091
59 2FK8 SAM 0.008871 0.41869 4.08805
60 4EI7 GDP 0.01093 0.4117 4.11311
61 4JNA FAD 0.00000000695 0.57919 4.11765
62 2BKX F6R 0.02539 0.41243 4.13223
63 1NPD NAD 0.000618 0.46015 4.16667
64 2YG3 FAD 0.000000002194 0.60523 4.19426
65 1NAA 6FA 0.0000001768 0.5287 4.24242
66 1NAA ABL 0.0000003655 0.4789 4.24242
67 1JAY NAP 0.004831 0.42758 4.24528
68 1D1T NAD 0.0004882 0.44237 4.28954
69 2CUL FAD 0.00000003171 0.58816 4.31034
70 2NXE SAM 0.0009958 0.46982 4.33071
71 4FN4 NAD 0.004534 0.40979 4.33071
72 3A4T SFG 0.0007677 0.46324 4.37956
73 3NYC IAR 0.000000327 0.4887 4.44444
74 3NYC FAD 0.000000327 0.4887 4.44444
75 2Y6Q I7T 0.000001183 0.50565 4.52261
76 2Y6Q FAD 0.00000006151 0.50199 4.52261
77 4J36 FAD 0.00000005734 0.50605 4.57831
78 4J36 1HR 0.000001293 0.5003 4.57831
79 3OFK SAH 0.002046 0.44424 4.62963
80 3A25 SAM 0.001033 0.46908 4.65116
81 1C0I FAD 0.006412 0.40855 4.6832
82 1C0I BE2 0.006412 0.40855 4.6832
83 4U8P FDA 0.000000293 0.44443 4.84848
84 4U8P UDP 0.0000003334 0.43775 4.84848
85 2CVQ NDP 0.003093 0.41893 4.89297
86 4K30 NLG 0.04421 0.40662 5
87 1XDS SAM 0.01033 0.43218 5.08021
88 3G5S FAD 0.000000006117 0.60426 5.17241
89 2DKH FAD 0.000000003264 0.54167 5.17241
90 2DKH 3HB 0.00000003987 0.53511 5.17241
91 5MZI FYK 0.0000004636 0.53377 5.17241
92 5MZI FAD 0.0000004309 0.53377 5.17241
93 1O0S NAI 0.001019 0.45421 5.17241
94 4JJF FE9 0.0006793 0.44852 5.17241
95 2EG5 SAH 0.007731 0.43853 5.17241
96 4JJF N2I 0.001052 0.43497 5.17241
97 1EJ4 M7G 0.02916 0.43303 5.17241
98 1M2W NAD 0.006126 0.42004 5.17241
99 3TWO NDP 0.003019 0.40518 5.17241
100 1F8G NAD 0.001471 0.45063 5.20833
101 2DT5 NAD 0.0001293 0.47449 5.21327
102 2EWM NAD 0.006177 0.40218 5.22088
103 3GDN HBX 0.000000642 0.51965 5.25253
104 3GDN FAD 0.0000002991 0.51807 5.25253
105 3K7M FAD 0.00000004331 0.5053 5.25253
106 2JBH 5GP 0.02301 0.42565 5.33333
107 1MAI I3P 0.00146 0.50023 5.34351
108 1I0Z NAI 0.0002025 0.46335 5.40541
109 5EZ7 FAD 0.0000003645 0.50592 5.61225
110 1ZQ9 SAM 0.00004954 0.53131 5.61404
111 5N53 8NB 0.002481 0.48565 5.64103
112 3EGI ADP 0.0005026 0.52146 5.82524
113 4YMH SAH 0.0002569 0.48863 5.83333
114 5MBX FAD 0.00000002165 0.57339 5.83501
115 5MBX SP5 0.00000002165 0.57339 5.83501
116 5J6Y BGC 0.0383 0.40875 5.85106
117 5J6Y GLC 0.0383 0.40875 5.85106
118 4K5S FAD 0.0000000877 0.58138 5.85859
119 4K5S PM0 0.000002027 0.47158 5.85859
120 3GF4 FAD 0.0000005133 0.47228 5.89744
121 3GF4 UPG 0.0000004252 0.46344 5.89744
122 1H82 FAD 0.00000001411 0.58106 5.9322
123 1H82 GZZ 0.0000000215 0.58106 5.9322
124 4RDH AMP 0.00001733 0.56494 6.25
125 1LDN NAD 0.0001265 0.40341 6.32911
126 1M2K APR 0.005002 0.413 6.4257
127 1E3I CXF 0.001139 0.4184 6.46465
128 5DXA SFG 0.006502 0.4189 6.59026
129 3B1J NAD 0.0004613 0.44917 6.78466
130 4C3Y FAD 0.0000002344 0.51881 6.86869
131 4C3Y ANB 0.0000009088 0.50946 6.86869
132 4EIP FAD 0.0000009234 0.50923 6.86869
133 4EIP K2C 0.0000009234 0.50923 6.86869
134 2QA1 FAD 0.000000004974 0.61772 6.89655
135 4IV9 FAD 0.00000001528 0.57637 6.89655
136 5JWC FAD 0.0000000008168 0.57137 6.89655
137 2B9W FAD 0.0000000369 0.5668 6.89655
138 2R4J 13P 0.0000004485 0.52615 6.89655
139 3AYI FAD 0.00000002704 0.51716 6.89655
140 3AYI HCI 0.00000002807 0.51259 6.89655
141 3GMB FAD 0.00000004905 0.51257 6.89655
142 2R4J FAD 0.0000004485 0.48081 6.89655
143 2Q1W NAD 0.000424 0.44473 6.89655
144 1GQ2 NAP 0.001414 0.43264 6.89655
145 3WMX NAD 0.003556 0.42175 6.89655
146 5JJR SAH 0.01372 0.41596 6.89655
147 3IT7 TLA 0.03048 0.41426 6.89655
148 1DLJ NAI 0.0002408 0.40615 6.89655
149 3HDY FAD 0.0000002989 0.45828 7.30479
150 3HDY FDA 0.0000003217 0.45765 7.30479
151 3HDY GDU 0.0000003454 0.4538 7.30479
152 3NKS FAD 0.00000001331 0.59221 7.33753
153 3F8D FAD 0.000000007423 0.60639 7.43034
154 4NTD FAD 0.000000002853 0.56762 7.64706
155 2VVL FAD 0.00000001386 0.57346 7.67677
156 2VVM FAD 0.00000001016 0.55893 7.67677
157 2FKA BEF 0.001337 0.47326 7.75194
158 2OOR NAD 0.001019 0.45775 7.8125
159 2OOR TXP 0.001849 0.43071 7.8125
160 3G89 SAM 0.0002707 0.51162 8.03213
161 1D4O NAP 0.001126 0.44256 8.15217
162 3FPZ AHZ 0.0004088 0.4754 8.28221
163 1V8B NAD 0.0001358 0.41654 8.35073
164 1P77 ATR 0.0001733 0.5469 8.45588
165 5TTJ FAD 0.00000001075 0.55475 8.62069
166 2E5V FAD 0.00000003388 0.55229 8.62069
167 3AXB FAD 0.0000003948 0.53965 8.62069
168 4AT0 FAD 0.0000001333 0.53859 8.62069
169 1DJN ADP 0.0000000001125 0.52741 8.62069
170 5EOW FAD 0.00000001583 0.52625 8.62069
171 1COY FAD 0.0000005428 0.51968 8.62069
172 5UAO FAD 0.0000002112 0.51013 8.62069
173 5I39 FAD 0.0000001993 0.50979 8.62069
174 3AXB PRO 0.00000105 0.50661 8.62069
175 2RGH FAD 0.0000007891 0.4984 8.62069
176 4DMG SAM 0.001507 0.47899 8.62069
177 9LDB NAD 0.00009898 0.47229 8.62069
178 5TUK FAD 0.000000135 0.47146 8.62069
179 2JJQ SAH 0.002644 0.46195 8.62069
180 1YKF NAP 0.0004356 0.45016 8.62069
181 1COY AND 0.000003387 0.4417 8.62069
182 1LSS NAD 0.0000005851 0.4247 8.62069
183 1KEV NDP 0.001192 0.42243 8.62069
184 4QTU SAM 0.009391 0.42059 8.62069
185 1UWK NAD 0.0004049 0.42038 8.62069
186 1F8F NAD 0.005167 0.41765 8.62069
187 1UWK URO 0.0004049 0.41253 8.62069
188 1Z45 NAD 0.004422 0.41022 8.62069
189 2VYN NAD 0.00004254 0.40662 8.62069
190 1DSS NAD 0.00001869 0.40616 8.62069
191 3H11 ALA ILE GLU THR ASA 0.03979 0.40568 8.62069
192 9LDT NAD 0.0001058 0.4044 8.62069
193 1RP0 AHZ 0.0000000158 0.51489 8.80282
194 1NJR XYL 0.007411 0.40599 8.80282
195 1KPG SAH 0.0113 0.41106 9.05923
196 4E5N NAD 0.0006753 0.43974 9.09091
197 3DXY SAM 0.00107 0.48663 9.17431
198 3LST SAH 0.02193 0.41915 9.1954
199 1JNR FAD 0.00000005947 0.57741 9.33333
200 3EGV SAH 0.0006058 0.48446 9.52381
201 3NJ4 NAD 0.002798 0.42714 9.65517
202 3NJ4 AFX 0.006666 0.41285 9.65517
203 1DJL NAP 0.003199 0.40867 9.66184
204 1GEE NAD 0.004553 0.40972 9.96169
205 1PS9 FAD 0.00000000002848 0.6445 10.3448
206 2RGJ FAD 0.00000000828 0.62018 10.3448
207 2Z3Y F2N 0.000000002356 0.59034 10.3448
208 1QO8 FAD 0.000000001884 0.58971 10.3448
209 1PN0 FAD 0.0000000199 0.56615 10.3448
210 1PN0 IPH 0.00000002227 0.566 10.3448
211 4Z24 FAD 0.00000006117 0.54061 10.3448
212 1Y8Q ATP 0.00001035 0.5366 10.3448
213 3B1F NAD 0.00002331 0.53092 10.3448
214 2BRY FAD 0.00000001077 0.52602 10.3448
215 4TXI FAD 0.00000001434 0.51787 10.3448
216 5EB4 FAD 0.000000267 0.51327 10.3448
217 3V1Y NAD 0.00003577 0.5049 10.3448
218 5MQ6 NDP 0.00008074 0.50244 10.3448
219 4TM3 FAD 0.00001071 0.49296 10.3448
220 4D7E FAD 0.000007781 0.45458 10.3448
221 2QV7 ADP 0.005938 0.4404 10.3448
222 5HJM MTA 0.00416 0.43701 10.3448
223 2Z9I GLY ALA THR VAL 0.02849 0.42524 10.3448
224 2VHW NAI 0.00007594 0.42225 10.3448
225 5M67 3D1 0.000722 0.41495 10.3448
226 5M67 NAD 0.0007481 0.41443 10.3448
227 5M67 ADE 0.0007495 0.41441 10.3448
228 3OJO NAD 0.000003506 0.41249 10.3448
229 3S1S SAH 0.009239 0.41219 10.3448
230 1GY8 NAD 0.003478 0.41193 10.3448
231 3OBT SLB 0.02591 0.41047 10.3448
232 2X68 CTE 0.04032 0.40219 10.3448
233 3LZW FAD 0.00000000132 0.62282 10.5422
234 3LZW NAP 0.00000001914 0.49717 10.5422
235 1IM8 SAI 0.004677 0.43136 10.6557
236 1HDG NAD 0.0005898 0.45757 11.1446
237 4J4H NAI 0.02238 0.40169 11.1969
238 5BXV MGP 0.03603 0.42278 11.3636
239 1C3V NDP 0.001563 0.42551 11.8367
240 1G55 SAH 0.01213 0.41543 11.9534
241 5BVA FAD 0.000000000753 0.60842 12.069
242 2GV8 FAD 0.00000001977 0.60071 12.069
243 1D4D FAD 0.000000001782 0.59432 12.069
244 1VQW FAD 0.00000004467 0.59247 12.069
245 4MO2 FDA 0.00000001354 0.59194 12.069
246 4MO2 FAD 0.0000000149 0.58578 12.069
247 3E1T FAD 0.000000003411 0.58506 12.069
248 5TS5 FAD 0.000000006367 0.58487 12.069
249 4REP FAD 0.000000003489 0.56939 12.069
250 5KMS FAD 0.000000003164 0.55852 12.069
251 4CNK FAD 0.000000006071 0.5566 12.069
252 5KMS NAD 0.0000001141 0.55247 12.069
253 1KNR FAD 0.00000003006 0.54369 12.069
254 4BJZ P3A 0.000001079 0.5299 12.069
255 2GVC FAD 0.00000001526 0.52312 12.069
256 3QVP FAD 0.000000266 0.52288 12.069
257 5EVY FAD 0.00002893 0.52197 12.069
258 1N4W FAD 0.0000002992 0.5212 12.069
259 3SSO SAH 0.00007514 0.51288 12.069
260 3ZNN FAD 0.000001974 0.50887 12.069
261 3ZNN 4WL 0.000001974 0.50887 12.069
262 2IID FAD 0.00000004813 0.50069 12.069
263 2IID PHE 0.00000004813 0.50069 12.069
264 5BR7 FAD 0.00000004943 0.47748 12.069
265 5BR7 FLC 0.0000002577 0.45837 12.069
266 1UAY ADN 0.003349 0.4568 12.069
267 2GV8 NDP 0.0007912 0.45553 12.069
268 4BJZ FAD 0.001522 0.44893 12.069
269 1ELI PYC 0.00003208 0.44168 12.069
270 4KXQ APR 0.002575 0.43979 12.069
271 1WP4 NDP 0.001313 0.4368 12.069
272 2CVZ NDP 0.002095 0.43133 12.069
273 2Q46 NAP 0.002638 0.42172 12.069
274 1LLU NAD 0.001402 0.41981 12.069
275 4YUW S4M 0.006479 0.40838 12.069
276 4YUW 4JU 0.006656 0.40838 12.069
277 1E3W NAD 0.00544 0.40665 12.069
278 1GEG NAD 0.006518 0.40353 12.069
279 2G5C NAD 0.000123 0.40101 12.069
280 1H5Q NAP 0.008935 0.40033 12.0755
281 1GPE FAD 0.0000002759 0.52526 12.1212
282 2ZXI FAD 0.000000003749 0.61185 12.4019
283 3FUU ADN 0.0001174 0.50875 12.5461
284 1FL2 FAD 0.00000000003444 0.63247 12.7273
285 1N2X SAM 0.009682 0.4113 12.9568
286 5VN0 FAD 0.000000000577 0.63547 13.7374
287 5VN0 NAI 0.00000003396 0.48955 13.7374
288 2GAG NAD 0.00000000002063 0.62866 13.7931
289 4G74 FAD 0.000000003538 0.61788 13.7931
290 3AD8 NAD 0.00000000002036 0.61125 13.7931
291 5TUF FAD 0.00000005078 0.59544 13.7931
292 5G3U FDA 0.00000003555 0.53513 13.7931
293 4G74 UQ5 0.00000003102 0.53235 13.7931
294 2XVE FAD 0.0000008385 0.52487 13.7931
295 2XVF FAD 0.00000005197 0.52434 13.7931
296 5G3U ITW 0.0000003382 0.52091 13.7931
297 3AD8 FAD 0.000008303 0.4951 13.7931
298 3AD8 PYC 0.000008303 0.4951 13.7931
299 4MOP 2H5 0.0000001984 0.48989 13.7931
300 2GAG FAD 0.000004347 0.4856 13.7931
301 3H9E NAD 0.0001093 0.48471 13.7931
302 2GAG FOA 0.000008331 0.47624 13.7931
303 4KOA NDP 0.00106 0.47277 13.7931
304 1SQF SAM 0.001224 0.4656 13.7931
305 1EZ4 NAD 0.0003681 0.46277 13.7931
306 3ABI NAD 0.0004655 0.44901 13.7931
307 5TUF TDC 0.000001048 0.44765 13.7931
308 1NYT NAP 0.001652 0.43864 13.7931
309 2HMT NAI 0.0000006114 0.43136 13.7931
310 2HYR BGC GLC 0.0175 0.41629 13.7931
311 2EB5 OXL 0.03729 0.41516 13.7931
312 2NU5 NAG 0.01633 0.41475 13.7931
313 2GLX NDP 0.007685 0.41297 13.7931
314 2FR1 NDP 0.003834 0.40795 13.7931
315 2GCG NDP 0.006149 0.40688 13.7931
316 4NEC SAH 0.03648 0.40442 13.7931
317 3UOY NAP 0.0000006046 0.53593 14.8624
318 3UOY FAD 0.0000006046 0.53593 14.8624
319 3GDH SAH 0.00135 0.44554 14.9378
320 1TDF NAP 0.000000001566 0.63029 15.5172
321 1TDF FAD 0.0000000002178 0.62982 15.5172
322 4YRY FAD 0.0000000002203 0.61991 15.5172
323 5ODQ FAD 0.0000000005376 0.61622 15.5172
324 4YRY NAD 0.000000001516 0.61124 15.5172
325 1Q9I TEO 0.000000002634 0.60734 15.5172
326 4FWE FAD 0.000000001002 0.60255 15.5172
327 4GUT FAD 0.000000002141 0.59682 15.5172
328 4GUS FAD 0.000000001524 0.59022 15.5172
329 4HSU FAD 0.000000004418 0.57531 15.5172
330 1I8T FAD 0.00000002255 0.54405 15.5172
331 4DSG FAD 0.000000248 0.54316 15.5172
332 4DSG UDP 0.000000248 0.54316 15.5172
333 1Q9I FAD 0.000000002634 0.52577 15.5172
334 4HA6 FAD 0.0000003597 0.51857 15.5172
335 3IHG FAD 0.000000004523 0.51559 15.5172
336 4USR FAD 0.00000005468 0.50898 15.5172
337 5H81 NAP 0.0008671 0.46088 15.5172
338 3JV7 NAD 0.0005182 0.44717 15.5172
339 4OBW SAM 0.003937 0.44163 15.5172
340 3Q87 SAM 0.002698 0.43567 15.5172
341 2D7I UDP 0.01954 0.42174 15.5172
342 1UXG NAD 0.0002477 0.41287 15.5172
343 2X6T NAP 0.004302 0.4107 15.5172
344 1W8D NAP 0.01123 0.40584 15.5172
345 4ZRN NAD 0.003391 0.40549 15.5172
346 3CIF NAD 0.0000626 0.40331 15.5172
347 1W73 NAP 0.01387 0.40188 15.5172
348 2HJR APR 0.000101 0.49819 15.5488
349 3T31 FAD 0.00000007855 0.55433 15.7895
350 3T31 DCQ 0.00000009289 0.55433 15.7895
351 5E8J SAH 0.003648 0.45493 15.9091
352 2V3A FAD 0.000000001071 0.58155 16.6667
353 4NTC FAD 0.00000000144 0.58948 17.2414
354 1REO FAD 0.000000012 0.55307 17.2414
355 5J7X FAD 0.00000004889 0.52924 17.2414
356 1JG3 ADN 0.00005926 0.52764 17.2414
357 1GTE FAD 0.0000000105 0.49704 17.2414
358 3GFB NAD 0.0004435 0.4561 17.2414
359 1W62 PYC 0.04161 0.41545 17.2414
360 2P41 SAH 0.01458 0.4147 17.2414
361 2CDC XYP 0.001796 0.41262 17.2414
362 2CDC NAP 0.002476 0.40775 17.2414
363 2CDC XYS 0.002476 0.40775 17.2414
364 4ZCC NAI 0.00000001161 0.57841 17.2619
365 4ZCC FAD 0.00000001161 0.57841 17.2619
366 1LOB MMA 0.03853 0.41344 17.3077
367 3FG2 FAD 0.0000000005196 0.66569 17.3267
368 1KOL NAD 0.000353 0.40212 17.3367
369 5JCA FAD 0.00000000009702 0.63136 17.5105
370 5JCA NDP 0.000000002553 0.61313 17.5105
371 3OA2 NAD 0.004185 0.41363 17.6101
372 5X62 SAH 0.002887 0.45181 17.734
373 3OZ2 FAD 0.00000000227 0.60473 18.9655
374 2GMH FAD 0.000000006098 0.5855 18.9655
375 4OPC FDA 0.000000213 0.57262 18.9655
376 1MUU NAD 0.0000416 0.5063 18.9655
377 4K28 NAD 0.0001285 0.48558 18.9655
378 3VPH OXM 0.00005585 0.46888 18.9655
379 3VPH NAD 0.0002165 0.45297 18.9655
380 1JQ3 AAT 0.00028 0.44874 18.9655
381 1QMG APX 0.002652 0.436 18.9655
382 2CH5 NAG 0.04042 0.40532 18.9655
383 1MV8 NAD 0.00003638 0.4032 18.9655
384 4M38 SAH 0.0008892 0.46414 19.0476
385 4BV6 FAD 0.0000000005026 0.60445 19.2698
386 3QV1 NAD 0.00118 0.43581 19.5122
387 4D04 FAD 0.000001315 0.52018 20.202
388 4D04 NAP 0.000001315 0.52018 20.202
389 3WE0 FAD 0.00000007682 0.5406 20.6897
390 5FJN BE2 0.0000002343 0.52762 20.6897
391 5FJN FAD 0.0000001571 0.52716 20.6897
392 4YCA NDP 0.00003431 0.50565 20.6897
393 3WGT FAD 0.000001158 0.48455 20.6897
394 3Q9T FAY 0.000002043 0.47926 20.6897
395 3WGT QSC 0.000001477 0.47728 20.6897
396 2I3G NAP 0.001052 0.43222 20.6897
397 3BF1 PAU 0.04889 0.40099 20.6897
398 3GD4 NAD 0.000000002667 0.62544 20.8081
399 3GD4 FAD 0.000000001711 0.61514 20.8081
400 3GGO ENO 0.0003435 0.41847 21.9745
401 3GGO NAI 0.0003435 0.41847 21.9745
402 3ICR FAD 0.0000000001311 0.60444 22.2222
403 3ICS FAD 0.0000000002526 0.60036 22.2222
404 3ICT FAD 0.0000000007309 0.58121 22.2222
405 3ICT ADP 0.00000003343 0.40585 22.2222
406 3ICS ADP 0.00000004342 0.40475 22.2222
407 2IVD FAD 0.000000008438 0.60421 22.4138
408 5WGR FAD 0.0000001041 0.54786 22.4138
409 4MIG G3F 0.0000001993 0.53413 22.4138
410 2WET FAD 0.0000002304 0.53225 22.4138
411 1YQZ FAD 0.000000005734 0.50735 22.4138
412 1HKU NAD 0.0002613 0.45583 22.4138
413 3U31 NAD 0.005526 0.42497 22.4138
414 3B0X DGT 0.03544 0.41176 22.4138
415 2B4R NAD 0.0001067 0.40326 22.4138
416 4EMI FAD 0.0000000001511 0.65595 23.9024
417 4EMJ FAD 0.0000000004763 0.59566 23.9024
418 4EMI NAD 0.0000000009286 0.52324 23.9024
419 1O94 ADP 0.00000000004362 0.76796 24.1379
420 1Q1R FAD 0.0000000001963 0.65759 24.1379
421 2Q0L FAD 0.0000000004574 0.62349 24.1379
422 4RPL FAD 0.00000004291 0.57296 24.1379
423 4RPL 3UC 0.000000094 0.56431 24.1379
424 4X9M FAD 0.000000208 0.51663 24.1379
425 2Q0L NAP 0.000187 0.51421 24.1379
426 3DMH SAM 0.001092 0.46008 24.1379
427 4AP3 FAD 0.000000622 0.45134 24.1379
428 4AP3 NAP 0.000000622 0.45134 24.1379
429 3LU1 NAD 0.002476 0.42022 24.1379
430 3DMH GMP 0.004676 0.4142 24.1379
431 1VBO MAN MAN MAN 0.04126 0.41266 24.1379
432 3HVJ 705 0.0003703 0.40369 24.1379
433 3CGB FAD 0.0000000003645 0.64799 24.1667
434 5T46 MGP 0.04933 0.41927 24.2424
435 3CGD NAD 0.00000001145 0.60594 24.5833
436 3CGD COA 0.00000001145 0.60594 24.5833
437 3CGD FAD 0.00000001145 0.60594 24.5833
438 2X3N FAD 0.00000003963 0.57529 25.8621
439 1Z82 NDP 0.006134 0.40936 25.8621
440 2YVJ NAI 0.0000002967 0.63616 26.9608
441 2YVJ FAD 0.0000000008071 0.63566 26.9608
442 2YVF FAD 0.000000012 0.58861 26.9608
443 2YVF NAD 0.00000001341 0.58816 26.9608
444 2NPX FAD 0.0000000001355 0.66334 27.0694
445 2NPX NAD 0.000000001201 0.52716 27.0694
446 5JCM ISD 0.000000004391 0.60866 27.4945
447 5JCM NAD 0.000000004391 0.60866 27.4945
448 5JCM FAD 0.000000004053 0.60866 27.4945
449 5JE8 NAD 0.0003651 0.46639 27.5862
450 4DPL NAP 0.002238 0.42196 27.5862
451 2BH9 NAP 0.01434 0.42151 27.5862
452 3NTA FAD 0.0000000008964 0.62874 28.2828
453 3NT6 FAD 0.000000001033 0.5808 28.2828
454 3NTD FAD 0.0000000007058 0.58592 28.8889
455 3LXD FAD 0.0000000002775 0.58497 28.9157
456 1VDC FAD 0.000000001498 0.60363 29.3103
457 3QJ4 FAD 0.000000007387 0.5965 29.3103
458 4YSX FAD 0.000000009753 0.55892 29.3103
459 2F1K NAP 0.00001897 0.51635 29.3103
460 2RGO FAD 0.0000004083 0.49786 29.3103
461 1BW9 NAD 0.0001631 0.49324 29.3103
462 1C1X NAD 0.000202 0.47361 29.3103
463 2VDV SAM 0.0018 0.47034 29.3103
464 4RSL FAD 0.000003622 0.4652 29.3103
465 1LDM NAD 0.0002552 0.45936 29.3103
466 1NVM NAD 0.0003405 0.45134 29.3103
467 4ONQ SFG 0.0135 0.41629 29.3103
468 4MDH NAD 0.007778 0.40513 29.3103
469 1P31 EPU 0.0295 0.40011 29.3103
470 2V3B FAD 0.0000000007084 0.63769 30.9091
471 2CDU FAD 0.0000000001213 0.60057 31.0345
472 2CDU ADP 0.0000001105 0.42103 31.0345
473 3OND ADN 0.00092 0.41049 31.0345
474 5HSA FAS 0.000002924 0.48342 32.7586
475 1J5P NAD 0.0009393 0.44276 32.7586
476 1OBB NAD 0.001603 0.44232 32.7586
477 1EQ2 NAP 0.003051 0.41662 32.7586
478 3EWP APR 0.009904 0.40319 32.7586
479 3KLJ FAD 0.00000000002079 0.7186 33.2468
480 3UCL FAD 0.000000274 0.54596 34.4828
481 3UCL NAP 0.0000003344 0.54596 34.4828
482 3UCL CYH 0.000000274 0.54596 34.4828
483 4YNU FAD 0.0000002246 0.52677 34.4828
484 4YNU LGC 0.000000363 0.52541 34.4828
485 1RYI FAD 0.0000005527 0.50653 34.4828
486 1RYI GOA 0.001407 0.43107 34.4828
487 2IXB NAD 0.001135 0.43093 34.4828
488 1XHC FAD 0.000000000003588 0.64498 35.1499
489 3AB1 FAD 0.0000000004164 0.62994 35.5556
490 2Q7V FAD 0.00000000004947 0.6561 36
491 3ITJ FAD 0.0000000005772 0.58002 36.0947
492 3ITJ CIT 0.006752 0.44542 36.0947
493 5J60 FAD 0.0000000001221 0.61958 36.25
494 4UP3 FAD 0.00000000008753 0.62383 39.172
495 1YY5 FAD 0.0000000005456 0.61304 39.6552
496 1RSG FAD 0.000000002124 0.58815 39.6552
497 3VYW SAM 0.0001939 0.49418 39.6552
498 3TLJ SAH 0.007645 0.41581 39.6552
499 1MO9 FAD 0.000000000007208 0.72195 39.798
500 1MO9 KPC 0.00000000001108 0.71645 39.798
501 4USQ FAD 0.00000002687 0.52234 41.3793
502 1H2B NAJ 0.000442 0.44123 41.3793
503 3CTY FAD 0.000000000007537 0.6744 42.3197
504 3A27 SAM 0.0005484 0.48205 43.1034
505 2WPF WPF 0.0000000000001383 0.8022 44.0404
506 2WPF FAD 0.0000000000001252 0.80033 44.0404
507 1BZL FAD 0.0000000000007565 0.77271 44.2387
508 2V6O FAD 0.000000000002403 0.5421 44.8485
509 2NVK FAD 0.0000000000000886 0.72537 45.082
510 1FEC FAD 0.00000000000001665 0.76665 45.7143
511 2HQM FAD 0.000000000000001332 0.78968 45.929
512 4J56 FAD 0.000000000000004441 0.78113 46.4646
513 3QFA FAD 0.00000000000001221 0.77088 46.6281
514 2RAB FAD 0.00000000000000111 0.80103 46.8683
515 2RAB NAD 0.00000000000001532 0.80103 46.8683
516 3SQP FAD 0.0000000000003708 0.82806 47.4895
517 1GET NAP 0.000000000000009326 0.8119 48.4444
518 1GET FAD 0.000000000000007438 0.8119 48.4444
519 1ZK7 FAD 9.992e-16 0.77917 49.6788
Pocket No.: 3; Query (leader) PDB : 3RNM; Ligand: FAD; Similar sites found: 53
This union binding pocket(no: 3) in the query (biounit: 3rnm.bio2) has 44 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3L9W GSH 0.00006298 0.40252 1.21065
2 3A1I UNU 0.0258 0.4191 1.41414
3 4JBL MET 0.03117 0.42248 2.0649
4 2PL3 ADP 0.03099 0.41861 2.11864
5 1VKO NAD 0.004837 0.40406 2.22222
6 2AUY NAG MAN MMA 0.01483 0.42425 2.77778
7 2GMM MAN MAN 0.03006 0.41451 2.77778
8 2GN3 MAN 0.04868 0.40241 2.77778
9 1V9A SAH 0.03729 0.40088 3.34728
10 3PMA SCR 0.03906 0.40461 3.861
11 1GZ6 NAI 0.006611 0.40102 4.07523
12 3VY6 BGC BGC 0.002705 0.49116 4.96454
13 4TXE 38F 0.03611 0.40158 5.17241
14 3RGG AIR 0.04353 0.40698 5.66038
15 3KP6 SAL 0.03673 0.42202 6.62252
16 1FS5 TLA 0.03689 0.40111 6.76692
17 3AB4 LYS 0.01836 0.42314 6.89655
18 1QD0 RR6 0.01963 0.42165 7.8125
19 3FZG SAM 0.03725 0.4009 8
20 1GRN AF3 0.04128 0.41564 8.37696
21 2YLN CYS 0.02929 0.42489 8.48057
22 5U97 PIT 0.04304 0.40074 8.62069
23 1YBH P22 0.01254 0.43569 8.68687
24 1WB4 SXX 0.03107 0.41996 10.3448
25 1SQS TLA 0.0434 0.41251 10.3448
26 4XYB NDP 0.003476 0.40509 10.3448
27 2UZ1 TPP 0.01268 0.40108 10.3448
28 2Q1S NAI 0.001351 0.40107 10.3448
29 1JQD SAH 0.007773 0.40277 11.3014
30 3B9Q MLI 0.0265 0.4282 12.069
31 5GWE GWM 0.04934 0.40755 12.069
32 5XVQ SAH 0.0167 0.40086 12.069
33 4O0L NDP 0.005848 0.40311 12.7273
34 2GUD MAN 0.006314 0.45302 13.7931
35 2GUC MAN 0.007206 0.44734 13.7931
36 2HXW FLC 0.04919 0.41135 13.7931
37 1HE1 AF3 0.04988 0.41101 13.7931
38 1HSR BHO 0.0455 0.40985 13.7931
39 1OYY AGS 0.02944 0.41606 15.5172
40 1JJ7 ADP 0.04455 0.41371 15.5172
41 3EF0 ALF 0.04051 0.40739 15.5172
42 2RIF AMP 0.03623 0.40457 16.3121
43 1ZGS XMM 0.01236 0.44181 17.2414
44 2OG2 MLI 0.01916 0.41837 17.2414
45 5UAV NDP 0.0003989 0.40181 17.2414
46 5UAV TFB 0.0003989 0.40181 17.2414
47 5IL1 SAM 0.01994 0.40823 18.9655
48 2CH5 NDG 0.03704 0.40731 18.9655
49 3O8M BGC 0.04542 0.40599 18.9655
50 3O8M GLC 0.04542 0.40599 18.9655
51 3F81 STT 0.01663 0.42062 19.1257
52 2V7Q ADP 0.03416 0.41261 26
53 2IXB A2G 0.002356 0.40276 34.4828
Pocket No.: 4; Query (leader) PDB : 3RNM; Ligand: FAD; 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: 3rnm.bio2) has 42 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback