Receptor
PDB id Resolution Class Description Source Keywords
4L1F 1.79 Å EC: 1.-.-.- ELECTRON TRANSFERRING FLAVOPROTEIN OF ACIDAMINOCOCCUS FERMEN TOWARDS A MECHANISM OF FLAVIN-BASED ELECTRON BIFURCATION ACIDAMINOCOCCUS FERMENTANS FAD BUTYRYL-COA DEHYDROGENASE ELECTRON TRANSFERRING FLAVOP(ETF) NADH ELECTRON TRANSPORT
Ref.: STUDIES ON THE MECHANISM OF ELECTRON BIFURCATION CA BY ELECTRON TRANSFERRING FLAVOPROTEIN (ETF) AND BUT DEHYDROGENASE (BCD) OF ACIDAMINOCOCCUS FERMENTANS. J.BIOL.CHEM. V. 289 5145 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
COS A:402;
B:402;
Valid;
Valid;
none;
none;
submit data
799.599 C21 H36 N7 O16 P3 S2 CC(C)...
FAD A:401;
B:401;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
NA A:405;
A:403;
B:404;
Part of Protein;
Part of Protein;
Invalid;
none;
none;
none;
submit data
22.99 Na [Na+]
PDO A:404;
Invalid;
none;
submit data
76.094 C3 H8 O2 C(CO)...
PO4 B:403;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4L1F 1.79 Å EC: 1.-.-.- ELECTRON TRANSFERRING FLAVOPROTEIN OF ACIDAMINOCOCCUS FERMEN TOWARDS A MECHANISM OF FLAVIN-BASED ELECTRON BIFURCATION ACIDAMINOCOCCUS FERMENTANS FAD BUTYRYL-COA DEHYDROGENASE ELECTRON TRANSFERRING FLAVOP(ETF) NADH ELECTRON TRANSPORT
Ref.: STUDIES ON THE MECHANISM OF ELECTRON BIFURCATION CA BY ELECTRON TRANSFERRING FLAVOPROTEIN (ETF) AND BUT DEHYDROGENASE (BCD) OF ACIDAMINOCOCCUS FERMENTANS. J.BIOL.CHEM. V. 289 5145 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 4L1F - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 4L1F - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 1BUC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1UDY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3MDE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 3MDD - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 4L1F - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 2R0N - TGC C25 H40 N7 O19 P3 S2 CC(C)(CO[P....
6 1SIQ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 5AHS - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
8 5AF7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 1EGD - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 3PFD - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
11 3GQT - UFO C11 H17 N3 CN1CCN(c2c....
12 3GNC - QQQ C10 H12 N2 O3 S CC(C)n1c2c....
13 1JQI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 1BUC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
15 1UKW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
16 3MPJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
17 3MPI - GRA C26 H42 N7 O19 P3 S CC(C)(CO[P....
18 1RX0 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: COS; Similar ligands found: 180
No: Ligand ECFP6 Tc MDL keys Tc
1 COS 1 1
2 CAO 0.913793 0.966292
3 ACO 0.898305 0.944444
4 COA 0.887931 0.977012
5 FYN 0.883333 0.977012
6 3KK 0.883333 0.955056
7 OXK 0.876033 0.955056
8 SOP 0.876033 0.955056
9 COK 0.876033 1
10 0T1 0.871795 0.954545
11 DCA 0.87069 0.932584
12 CMC 0.868852 0.955056
13 CO6 0.868852 0.955056
14 1VU 0.868852 0.944444
15 30N 0.865546 0.914894
16 2MC 0.861789 0.913979
17 MLC 0.854839 0.955056
18 1HE 0.854839 0.934066
19 3HC 0.854839 0.965909
20 BCO 0.854839 0.955056
21 IVC 0.854839 0.965909
22 A1S 0.854839 0.955056
23 ETB 0.854701 0.9
24 AMX 0.85 0.965517
25 MCA 0.848 0.944444
26 COO 0.848 0.955056
27 CAA 0.848 0.965909
28 SCO 0.842975 0.954545
29 CMX 0.842975 0.954545
30 2CP 0.84127 0.944444
31 SCA 0.84127 0.955056
32 MC4 0.84127 0.904255
33 FAM 0.836066 0.933333
34 FCX 0.836066 0.923077
35 2KQ 0.834646 0.934066
36 1GZ 0.834646 0.944444
37 COF 0.834646 0.934066
38 IRC 0.834646 0.965909
39 COW 0.834646 0.944444
40 HGG 0.834646 0.955056
41 3CP 0.834646 0.955056
42 BYC 0.834646 0.955056
43 HAX 0.829268 0.933333
44 4CA 0.828125 0.944444
45 FAQ 0.828125 0.955056
46 BCA 0.828125 0.944444
47 HXC 0.821705 0.934066
48 GRA 0.821705 0.955056
49 SCD 0.81746 0.954545
50 CA6 0.816 0.886598
51 MCD 0.816 0.933333
52 TGC 0.815385 0.944444
53 NMX 0.809524 0.884211
54 1CZ 0.80916 0.944444
55 2NE 0.80916 0.934066
56 CO8 0.80916 0.934066
57 CIC 0.80916 0.955056
58 1CV 0.804511 0.955056
59 CAJ 0.80315 0.933333
60 MYA 0.80303 0.934066
61 DCC 0.80303 0.934066
62 4CO 0.80303 0.944444
63 MFK 0.80303 0.934066
64 5F9 0.80303 0.934066
65 0FQ 0.80303 0.955056
66 ST9 0.80303 0.934066
67 UCC 0.80303 0.934066
68 01A 0.796992 0.913979
69 0ET 0.796992 0.934066
70 HFQ 0.792593 0.934066
71 CS8 0.791045 0.923913
72 WCA 0.791045 0.934066
73 YE1 0.790698 0.94382
74 HDC 0.785185 0.934066
75 4KX 0.785185 0.923913
76 NHM 0.785185 0.934066
77 NHW 0.785185 0.934066
78 UOQ 0.785185 0.934066
79 MRS 0.779412 0.934066
80 MRR 0.779412 0.934066
81 CA8 0.778626 0.886598
82 YNC 0.773723 0.944444
83 DAK 0.773723 0.923913
84 8Z2 0.768116 0.923913
85 NHQ 0.757143 0.965909
86 S0N 0.755556 0.933333
87 1HA 0.746479 0.934066
88 01K 0.741259 0.955056
89 COT 0.736111 0.955056
90 CCQ 0.729927 0.913979
91 CA3 0.726027 0.955056
92 COD 0.717742 0.965517
93 CA5 0.701987 0.913979
94 CO7 0.698529 0.955056
95 93P 0.697368 0.944444
96 UCA 0.697368 0.934066
97 93M 0.675159 0.944444
98 OXT 0.642424 0.894737
99 5TW 0.634731 0.894737
100 4BN 0.634731 0.894737
101 JBT 0.616279 0.876289
102 HMG 0.612245 0.922222
103 COA PLM 0.604027 0.902174
104 PLM COA 0.604027 0.902174
105 COA MYR 0.604027 0.902174
106 BSJ 0.60119 0.923913
107 PAP 0.587719 0.793103
108 A3P 0.535088 0.781609
109 PPS 0.533333 0.755319
110 191 0.519737 0.848485
111 SFC 0.51875 0.934066
112 RFC 0.51875 0.934066
113 0WD 0.510638 0.771739
114 ACE SER ASP ALY THR NH2 COA 0.502732 0.912088
115 PTJ 0.469697 0.852273
116 3AM 0.469565 0.770115
117 A22 0.457364 0.795455
118 A2D 0.453782 0.784091
119 PUA 0.453333 0.802198
120 PAJ 0.450382 0.863636
121 SAP 0.448 0.808989
122 ATR 0.448 0.781609
123 AGS 0.448 0.808989
124 3OD 0.447761 0.806818
125 ADP 0.442623 0.804598
126 A2R 0.438462 0.795455
127 BA3 0.434426 0.784091
128 OAD 0.432836 0.806818
129 NA7 0.432836 0.83908
130 ATP 0.432 0.804598
131 B4P 0.430894 0.784091
132 AP5 0.430894 0.784091
133 APR 0.428571 0.784091
134 AQP 0.428571 0.804598
135 5FA 0.428571 0.804598
136 AR6 0.428571 0.784091
137 2A5 0.428571 0.827586
138 AN2 0.427419 0.795455
139 48N 0.426573 0.791209
140 5AL 0.426357 0.795455
141 M33 0.424 0.795455
142 SRP 0.419847 0.818182
143 ANP 0.418605 0.786517
144 ADQ 0.41791 0.786517
145 YLB 0.417808 0.88764
146 YLP 0.416667 0.866667
147 ME8 0.416058 0.824176
148 FYA 0.416058 0.795455
149 APU 0.414966 0.769231
150 AHX 0.414815 0.811111
151 7D3 0.414634 0.775281
152 AD9 0.414062 0.786517
153 NJP 0.413333 0.788889
154 25L 0.413043 0.795455
155 CA0 0.412698 0.786517
156 7D4 0.412698 0.775281
157 ATF 0.412214 0.777778
158 A A A 0.411765 0.795455
159 A2P 0.41129 0.770115
160 8QN 0.410448 0.795455
161 LAQ 0.409722 0.844444
162 ACP 0.409449 0.806818
163 NDP 0.409396 0.771739
164 ACQ 0.407692 0.806818
165 YAP 0.407143 0.788889
166 FA5 0.407143 0.797753
167 ATP A A A 0.407143 0.752809
168 TXA 0.405797 0.797753
169 1ZZ 0.405797 0.824176
170 NB8 0.405797 0.791209
171 PAX 0.405063 0.776596
172 A 0.404959 0.781609
173 AMP 0.404959 0.781609
174 00A 0.404412 0.741935
175 DLL 0.404412 0.775281
176 4PS 0.403361 0.666667
177 OMR 0.401361 0.835165
178 OOB 0.4 0.775281
179 NPW 0.4 0.804348
180 25A 0.4 0.784091
Ligand no: 2; 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 : 4L1F; Ligand: FAD; Similar sites found: 116
This union binding pocket(no: 1) in the query (biounit: 4l1f.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2E1A MSE 0.01074 0.4152 None
2 1W31 SHO 0.01699 0.43003 1.16959
3 1WDA BAG 0.01148 0.41396 1.30548
4 3NYQ AMP 0.0001817 0.40352 1.30548
5 3NYQ MCA 0.0001762 0.40177 1.30548
6 3ZV6 4HB 0.0003951 0.40629 1.42349
7 2F2U M77 0.001905 0.44228 1.56658
8 2AQJ FAD 0.0004548 0.41864 1.56658
9 2AQJ TRP 0.0004266 0.41864 1.56658
10 1I2B NAD 0.0005565 0.41274 1.56658
11 1I2B UPG 0.0005565 0.41274 1.56658
12 1I2B USQ 0.0005565 0.41274 1.56658
13 2NCD ADP 0.002122 0.45709 1.82768
14 3WE0 FAD 0.0005547 0.40327 1.82768
15 2J07 HDF 0.0008495 0.40299 1.82768
16 2J07 FAD 0.0008495 0.40299 1.82768
17 2PT9 2MH 0.00005178 0.42 1.86916
18 1MXI SAH 0.003623 0.4099 1.875
19 4BJZ P3A 0.0004745 0.42555 2.08877
20 4BJZ FAD 0.0004745 0.42555 2.08877
21 4OYA 1VE 0.003182 0.41221 2.08877
22 1V6A TRE 0.002611 0.45296 2.10843
23 2RHW C0E 0.001125 0.40856 2.12014
24 1V7R CIT 0.01046 0.45798 2.15054
25 2ZO9 MLI 0.009511 0.411 2.18978
26 1C0I BE2 0.0006687 0.40305 2.20386
27 1C0I FAD 0.0006687 0.40305 2.20386
28 2XVF FAD 0.0003621 0.40147 2.34987
29 4IXW IXW 0.0006978 0.46629 2.3622
30 4COQ SAN 0.003796 0.45159 2.42915
31 4P4T GDP 0.0006067 0.43821 2.5
32 2YPO PHE 0.000119 0.40309 2.61097
33 3IU9 T07 0.00132 0.40423 2.77778
34 3OND ADN 0.0003115 0.41443 2.87206
35 3OND NAD 0.0003115 0.41443 2.87206
36 1Q0H NDP 0.0004791 0.40912 2.87206
37 1Q0H FOM 0.0007794 0.40118 2.87206
38 4MP8 MLI 0.0002921 0.40399 2.94985
39 4MP8 NAD 0.0002921 0.40399 2.94985
40 3SHR CMP 0.001799 0.44331 3.01003
41 4C0C WVH 0.00002979 0.43988 3.13316
42 1D6H COA 0.0004482 0.40585 3.13316
43 3IPQ 965 0.000154 0.41989 3.18021
44 1SJD NPG 0.001621 0.40493 3.26087
45 4I4Z 2NE 0.0004117 0.40755 3.27273
46 2C7G FAD 0.001193 0.40393 3.39426
47 4G8R 96P 0.03262 0.41399 3.45745
48 4W6Z 8ID 0.0001217 0.41293 3.45821
49 3VV5 SLZ 0.02377 0.41252 3.46154
50 2A2X NA9 0.000594 0.43854 3.4749
51 1RP0 AHZ 0.001931 0.40573 3.52113
52 1Y42 TYR 0.004387 0.43711 3.65535
53 2PR5 FMN 0.002518 0.41567 3.78788
54 1G8S MET 0.0008469 0.48241 3.91304
55 4AT0 FAD 0.0007956 0.40287 3.91645
56 3A2Y TS5 0.000318 0.45315 4.06091
57 4ASJ N6A 0.002028 0.40496 4.09556
58 1TDF NAP 0.0001131 0.44448 4.11392
59 2HMT NAI 0.0007579 0.40347 4.16667
60 1U8V FAD 0.00000004619 0.56683 4.17755
61 2RHQ GAX 0.0009598 0.41928 4.17755
62 3S9K CIT 0.0003826 0.54868 4.23729
63 2GJN NIS 0.001033 0.40179 4.26829
64 3FC4 EDO 0.0001265 0.4305 4.43864
65 1H82 GZZ 0.001271 0.40624 4.43864
66 1H82 FAD 0.00106 0.40624 4.43864
67 4Q0A 4OA 0.004132 0.40782 4.63576
68 3A1I UNU 0.002362 0.43838 4.69974
69 1PEA ACM 0.02611 0.42262 4.69974
70 3K37 BCZ 0.001364 0.41414 4.69974
71 1SJW NGV 0.003854 0.4165 4.86111
72 2WA4 069 0.007547 0.41306 4.87106
73 1ZK4 NAP 0.004154 0.4004 5.17928
74 1ZK4 AC0 0.004154 0.4004 5.17928
75 3P9C SAH 0.0001548 0.40265 5.21978
76 2PP3 LGT 0.005287 0.41517 5.22193
77 2IYG FMN 0.001364 0.44322 5.64516
78 1E8G FCR 0.001009 0.42509 5.74413
79 1E8G FAD 0.00109 0.42509 5.74413
80 1R27 MGD 0.000239 0.40505 5.74413
81 3MAG SAH 0.002619 0.41138 5.86319
82 2Q37 3AL 0.02616 0.40697 6.07735
83 4E28 9MZ 0.01835 0.41909 6.15385
84 2AE2 PTO 0.0002634 0.40888 6.15385
85 2AE2 NAP 0.0002634 0.40888 6.15385
86 3PVT 3HC 0.0002289 0.40686 6.17761
87 1N9L FMN 0.003966 0.40847 6.42202
88 1SS4 GSH 0.008068 0.47884 6.53595
89 1SS4 CIT 0.006356 0.46086 6.53595
90 3ZPG 5GP 0.04139 0.41815 6.80628
91 4F8L GAL 0.0306 0.43981 6.89655
92 2YYJ 4HP 0.0007363 0.42484 7.31071
93 3HAZ NAD 0.0000307 0.41714 7.31071
94 1B63 ANP 0.001432 0.41339 7.50751
95 4HA6 FAD 0.00001977 0.44364 7.5718
96 4LWM MHO 0.04935 0.42585 7.8341
97 1LVL FAD 0.00005768 0.43068 8.29694
98 1RM4 NDP 0.001432 0.40396 8.60534
99 2IMP NAI 0.003119 0.40425 8.61619
100 1SB8 UD2 0.0007026 0.40807 8.80682
101 1SB8 NAD 0.0006623 0.40513 8.80682
102 2Z9V PXM 0.005738 0.43194 9.13838
103 4F4S EFO 0.01259 0.41676 9.21053
104 2QLX RM4 0.002948 0.46357 9.25926
105 3U7Y FLC 0.04414 0.43208 9.52381
106 1W7J ADP BEF 0.001206 0.4315 9.93377
107 3DGB MUC 0.009154 0.40964 9.94764
108 1EXB NDP 0.001792 0.40801 12.9518
109 3F81 STT 0.009069 0.45335 13.6612
110 1W07 FAD 0.0000000009025 0.61616 23.7598
111 3DJL FAD 0.000009254 0.49131 31.3316
112 2DDH HXD 0.000107 0.40826 31.3316
113 2DDH FAD 0.001571 0.40464 31.3316
114 2C0U FAD NBT 0.0000001693 0.55616 44.6475
115 3D9F FAD 0.00000009205 0.58587 45.953
116 3MKH FAD 0.0000002497 0.53838 46.4752
Pocket No.: 2; Query (leader) PDB : 4L1F; Ligand: COS; 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: 4l1f.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4L1F; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4l1f.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4L1F; Ligand: COS; Similar sites found: 217
This union binding pocket(no: 4) in the query (biounit: 4l1f.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3NYQ AMP 0.001691 0.40631 1.30548
2 1WDA BAG 0.01015 0.40309 1.30548
3 3ZV6 NAD 0.001304 0.41939 1.42349
4 3ZV6 4HB 0.001398 0.41939 1.42349
5 2F2U M77 0.00005583 0.48866 1.56658
6 2BJK NAD 0.001382 0.42838 1.56658
7 1I2B USQ 0.00671 0.40518 1.56658
8 1I2B UPG 0.00671 0.40518 1.56658
9 1I2B NAD 0.00671 0.40518 1.56658
10 2YB9 HA0 0.001575 0.40328 1.56658
11 3WBF API 0.002136 0.40297 1.63934
12 4FR3 0V4 0.01389 0.40216 1.7094
13 4FR3 LYS ARG ARG LYS SEP VAL 0.01389 0.40216 1.7094
14 2XN5 FUN 0.01095 0.41677 1.71429
15 3FC2 IBI 0.00005916 0.44942 1.79104
16 1DXY NAD 0.0007854 0.40843 1.8018
17 2NCD ADP 0.002354 0.44061 1.82768
18 1RYD NDP 0.001205 0.4161 1.82768
19 4CMF PXG 0.007325 0.40074 1.86335
20 2PT9 2MH 0.002209 0.40373 1.86916
21 1QJC PNS 0.004582 0.40993 1.89873
22 2WUF KEM 0.0006133 0.40661 2.06186
23 1P9B IMO 0.0005085 0.41097 2.08877
24 3GE7 AFQ 0.001351 0.40952 2.08877
25 1ZK7 FAD 0.00346 0.40872 2.08877
26 4BJZ FAD 0.009991 0.40804 2.08877
27 4BJZ P3A 0.009991 0.40804 2.08877
28 4OYA 1VE 0.02844 0.40139 2.08877
29 1P9B GDP 0.0002237 0.40118 2.08877
30 1V6A TRE 0.01304 0.40796 2.10843
31 2I7C AAT 0.0008092 0.41685 2.12014
32 2Q1S NAI 0.001389 0.42051 2.12202
33 1C0I FAD 0.0005721 0.43582 2.20386
34 1C0I BE2 0.0005721 0.43582 2.20386
35 1BGQ RDC 0.001279 0.40169 2.22222
36 3RV5 DXC 0.02617 0.42109 2.24719
37 3CQD ATP 0.001365 0.41429 2.26537
38 1IG3 VIB 0.001789 0.40148 2.28137
39 1GS5 NLG 0.002449 0.40101 2.32558
40 1GS5 ANP 0.002449 0.40101 2.32558
41 4IXW IXW 0.00297 0.42504 2.3622
42 1NF8 BOG 0.007396 0.442 2.41546
43 4COQ SAN 0.004061 0.43625 2.42915
44 3SFI 3SF 0.001449 0.41676 2.54237
45 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.002058 0.41971 2.5641
46 2YPO PHE 0.0007821 0.41312 2.61097
47 1QF5 GDP 0.003837 0.40894 2.61097
48 1QF5 RPL 0.003837 0.40894 2.61097
49 2RGH FAD 0.003999 0.40176 2.61097
50 4B8V NDG NAG NAG NAG 0.000106 0.43608 2.63158
51 1P4C FMN 0.007335 0.41059 2.63158
52 2WJG GDP 0.006334 0.4285 2.65957
53 1I0Z NAI 0.0004763 0.4201 2.7027
54 1FIQ FAD 0.0005493 0.42373 2.73973
55 1FIQ MTE 0.001756 0.40175 2.73973
56 3IU9 T07 0.002087 0.42558 2.77778
57 2C31 ADP 0.002737 0.42885 2.87206
58 1Q0H NDP 0.002805 0.41369 2.87206
59 3OND NAD 0.004985 0.40496 2.87206
60 3OND ADN 0.004985 0.40496 2.87206
61 2C31 TZD 0.01582 0.40119 2.87206
62 1Q0H FOM 0.006071 0.40024 2.87206
63 3E8N ATP 0.001873 0.41504 2.93255
64 3E8N VRA 0.001873 0.41504 2.93255
65 4DEM YS4 0.001138 0.44789 2.93333
66 1LDM NAD 0.008918 0.40622 3.03951
67 4Q0P 0MK 0.02764 0.4002 3.07692
68 2YBQ UP2 0.0003386 0.43333 3.08219
69 2YBQ SAH 0.000111 0.41694 3.08219
70 1D6H COA 0.0006848 0.43107 3.13316
71 4IVG ANP 0.006207 0.40328 3.13316
72 2G86 UMP 0.005325 0.4048 3.16456
73 2V6O FAD 0.008067 0.41264 3.18792
74 3NCQ ATP 0.0003942 0.40526 3.36134
75 2YVF NAD 0.0008218 0.44245 3.39426
76 1TV5 N8E 0.009018 0.43007 3.39426
77 2YVF FAD 0.002079 0.42713 3.39426
78 2C7G FAD 0.001989 0.42479 3.39426
79 2C7G ODP 0.00457 0.41113 3.39426
80 3UXL CFI 0.01499 0.40865 3.39426
81 4R33 TRP 0.001928 0.40444 3.39426
82 4R33 SAH 0.001928 0.40444 3.39426
83 4W6Z 8ID 0.001029 0.41722 3.45821
84 1Y42 TYR 0.001131 0.44819 3.65535
85 2BII MTV 0.0001739 0.42365 3.65535
86 3I28 34N 0.002543 0.41428 3.65535
87 1Q3Q ANP 0.004927 0.41145 3.65535
88 2NVK FAD 0.002456 0.41 3.65535
89 3FPZ AHZ 0.009959 0.41141 3.68098
90 3IX9 MTX 0.01454 0.40675 3.68421
91 1LTH NAD 0.008174 0.40496 3.76176
92 1IIM TTP 0.00363 0.40003 3.76712
93 2PR5 FMN 0.001094 0.41381 3.78788
94 1M5B BN1 0.001312 0.43204 3.80228
95 2R40 EPH 0.0008178 0.41322 3.80228
96 2R40 20E 0.0006714 0.40718 3.80228
97 3PFG TLO 0.003964 0.40189 3.80228
98 3PFG SAM 0.003964 0.40189 3.80228
99 2BLE 5GP 0.0106 0.40088 3.81471
100 3CIP ATP 0.001069 0.42338 3.90625
101 1G8S MET 0.01375 0.41215 3.91304
102 4AT0 FAD 0.000839 0.43199 3.91645
103 1K97 CIR 0.006009 0.42072 3.91645
104 1K97 ASP 0.006009 0.42072 3.91645
105 2QA1 FAD 0.002474 0.40331 3.91645
106 4C12 ADP 0.008055 0.40085 3.91645
107 2P41 SAH 0.000156 0.41022 3.93443
108 1U7Z PMT 0.0003091 0.4306 3.9823
109 4ASJ N6A 0.0004919 0.40959 4.09556
110 1TDF FAD 0.001776 0.4197 4.11392
111 1TDF NAP 0.01052 0.40721 4.11392
112 2RHQ GAX 0.0003043 0.42005 4.17755
113 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.002434 0.4091 4.17755
114 1CSI CMX 0.003377 0.40323 4.17755
115 1CSI OAA 0.003377 0.40323 4.17755
116 4A8H PUW 0.001969 0.40083 4.22535
117 4IAE 1DX 0.005986 0.40581 4.2328
118 3S9K CIT 0.04313 0.42661 4.23729
119 1G0N PHH 0.002667 0.40878 4.24028
120 3JYN NDP 0.001727 0.40601 4.30769
121 1H82 FAD 0.0009444 0.43715 4.43864
122 1H82 GZZ 0.001492 0.43233 4.43864
123 3FC4 EDO 0.005385 0.40783 4.43864
124 1RYI FAD 0.002472 0.4099 4.45026
125 1EP2 ORO 0.0002287 0.43631 4.50161
126 1X1T NAD 0.005973 0.41632 4.61538
127 4Q0A 4OA 0.0004483 0.42719 4.63576
128 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.0009362 0.41616 4.63576
129 1PEA ACM 0.004283 0.44883 4.69974
130 3A1I UNU 0.0008421 0.4418 4.69974
131 2RDT 2RD 0.01001 0.40564 4.69974
132 3O55 FAD 0.0007584 0.40725 4.8
133 1VDC FAD 0.0002954 0.44781 4.8048
134 1SJW NGV 0.0007992 0.42742 4.86111
135 2WA4 069 0.001381 0.42814 4.87106
136 1C3V NDP 0.001983 0.40141 4.89796
137 3TDC 0EU 0.01894 0.43675 4.96084
138 1V5F TPP 0.03666 0.40858 4.96084
139 1V5F FAD 0.03666 0.40858 4.96084
140 2XCG XCG 0.001281 0.40618 4.96084
141 1ZK4 NAP 0.01416 0.40567 5.17928
142 1ZK4 AC0 0.01416 0.40567 5.17928
143 2PP3 LGT 0.004512 0.40402 5.22193
144 2E2R 2OH 0.00002049 0.47096 5.32787
145 2P8B NSK 0.01207 0.41836 5.42005
146 2VBQ BSJ 0.002176 0.40395 5.45455
147 4PO2 ASN ARG LEU LEU LEU THR GLY 0.0006454 0.40267 5.53191
148 3L0E G58 0.001235 0.40217 5.5336
149 2IYG FMN 0.0012 0.43049 5.64516
150 1ME8 RVP 0.003717 0.42746 5.74413
151 1SG4 CO8 0.000419 0.4171 5.76923
152 1YRX FMN 0.00007395 0.40447 5.78512
153 1C1L GAL BGC 0.01536 0.41551 5.83942
154 3MAG 3MA 0.005146 0.46127 5.86319
155 2NLI LAC 0.008593 0.40417 5.97826
156 2NLI FMN 0.007861 0.40417 5.97826
157 2CKM AA7 0.002241 0.41136 6.00522
158 1TIW FAD 0.002143 0.40883 6.00522
159 1TIW TFB 0.002143 0.40883 6.00522
160 3KMZ EQO 0.0001228 0.43404 6.01504
161 3WSJ MK1 0.002198 0.41739 6.03448
162 2Q37 3AL 0.003796 0.43151 6.07735
163 3S7O LBV 0.0006722 0.41671 6.12245
164 4E28 9MZ 0.003443 0.43951 6.15385
165 4E28 0MZ 0.003297 0.4342 6.15385
166 2AE2 NAP 0.001866 0.41303 6.15385
167 2AE2 PTO 0.001866 0.41303 6.15385
168 1OAA OAA 0.001063 0.4245 6.17761
169 2X61 CH 0.003437 0.40297 6.20155
170 1R6D NAD 0.00182 0.42456 6.23145
171 1R6D DAU 0.002366 0.4197 6.23145
172 4GQB 0XU 0.001402 0.42774 6.26632
173 1AL8 DHP 0.001988 0.42998 6.40669
174 1AL8 FMN 0.004573 0.40795 6.40669
175 1N9L FMN 0.001696 0.40725 6.42202
176 1SS4 GSH 0.001514 0.50731 6.53595
177 1SS4 CIT 0.001526 0.48374 6.53595
178 4BMO FMN 0.0004919 0.41319 6.72269
179 4G87 UD1 0.00522 0.40297 6.78851
180 3ZPG 5GP 0.0007173 0.49625 6.80628
181 4F8L GAL 0.002492 0.48864 6.89655
182 1A27 NAP 0.001112 0.40817 6.92042
183 1A27 EST 0.000098 0.40376 6.92042
184 3F3E LEU 0.002448 0.40577 7.04961
185 4HA6 FAD 0.0003487 0.44115 7.5718
186 4KGD FAD 0.002063 0.43274 7.5718
187 2DTX BMA 0.003678 0.40197 7.57576
188 3BW2 FMN 0.001743 0.40185 7.85908
189 3FXU TSU 0.00009139 0.43435 8.19672
190 1LVL FAD 0.00135 0.42093 8.29694
191 3MBG FAD 0.0004622 0.41404 8.63309
192 1SB8 NAD 0.003914 0.40863 8.80682
193 2R42 FPS 0.0003027 0.40486 8.86076
194 2Z9V PXM 0.0111 0.40609 9.13838
195 2GJ3 FAD 0.0005986 0.41762 9.16667
196 2CB8 MYA 0.0132 0.42508 9.1954
197 4F4S EFO 0.0001565 0.48457 9.21053
198 2QLX RM4 0.001123 0.46907 9.25926
199 3FSJ D7K 0.008606 0.40926 9.39948
200 3PNL ADP 0.0002497 0.4153 9.47867
201 3U7Y FLC 0.04275 0.41648 9.52381
202 4ELG 52J 0.0038 0.40881 9.63855
203 4ELG 52I 0.00452 0.40866 9.63855
204 3DGB MUC 0.003979 0.41038 9.94764
205 3VPD ANP 0.0003587 0.4037 10.3203
206 9LDT NAD 0.0008007 0.41424 10.5422
207 9LDB NAD 0.001618 0.40429 10.5422
208 2FR6 CTN 0.0003054 0.40156 11.6438
209 1EXB NDP 0.0103 0.40755 12.9518
210 3F81 STT 0.02928 0.41395 13.6612
211 1GRO ICT 0.001829 0.41926 15.1436
212 1D7O TCL 0.01502 0.40572 16.1616
213 1D7O NAD 0.01502 0.40572 16.1616
214 3PJU C2E 0.001389 0.40056 18.0723
215 3ZZS TRP 0.002041 0.40609 18.4615
216 3IIS PID 0.002164 0.43198 23.8411
217 3D9F FAD 0.02116 0.40182 45.953
Pocket No.: 5; Query (leader) PDB : 4L1F; Ligand: FAD; Similar sites found: 6
This union binding pocket(no: 5) in the query (biounit: 4l1f.bio2) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5EVY SAL 0.04735 0.40493 1.82768
2 5FS0 5JC 0.03485 0.40654 6.63507
3 2YLN CYS 0.03654 0.41003 8.83392
4 4XVX P6G FDA 0.0000009276 0.52651 41.2533
5 4XVX P33 FDA 0.000002175 0.5148 41.2533
6 3D9F N6C 0.00000006864 0.59559 45.953
Pocket No.: 6; Query (leader) PDB : 4L1F; Ligand: COS; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4l1f.bio2) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4L1F; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4l1f.bio2) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4L1F; Ligand: COS; Similar sites found: 7
This union binding pocket(no: 8) in the query (biounit: 4l1f.bio2) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3QCQ 3Q0 0.04403 0.40199 1.92308
2 2O3Z AI7 0.02648 0.40799 2.95203
3 5LX9 OLB 0.00716 0.41757 6.33803
4 5L2J 6UL 0.02113 0.40853 7.14286
5 5L2J 70E 0.02243 0.40853 7.14286
6 4P6X HCY 0.005663 0.40985 7.45098
7 3D9F N6C 0.02116 0.40182 45.953
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