Receptor
PDB id Resolution Class Description Source Keywords
4JNA 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE DEPH COMPLEX WITH DIMETHYL-FK228 CHROMOBACTERIUM VIOLACEUM DISULFIDE BOND FORMATION FK228 DEPSIPEPTIDE FAD-DEPENDENTOXIDOREDUCTASE OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COM
Ref.: THE STRUCTURAL BASIS OF AN NADP+-INDEPENDENT DITHIO IN FK228 BIOSYNTHESIS. SCI REP V. 4 4145 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1KC DVA 060 DBU VAL I:1;
H:1;
Valid;
Valid;
none;
none;
submit data
575.816 n/a S(CC1...
GOL B:405;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
FAD A:401;
B:401;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
CL B:402;
A:402;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
EDO A:403;
B:403;
A:404;
B:404;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
PO4 A:405;
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
4JNA 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE DEPH COMPLEX WITH DIMETHYL-FK228 CHROMOBACTERIUM VIOLACEUM DISULFIDE BOND FORMATION FK228 DEPSIPEPTIDE FAD-DEPENDENTOXIDOREDUCTASE OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COM
Ref.: THE STRUCTURAL BASIS OF AN NADP+-INDEPENDENT DITHIO IN FK228 BIOSYNTHESIS. SCI REP V. 4 4145 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4JN9 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 4NTE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 4JNA - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4JN9 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 4NTE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 4JNA - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4JN9 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 4NTE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 4JNA - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1KC DVA 060 DBU VAL; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1KC DVA 060 DBU VAL 1 1
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 : 4JNA; Ligand: FAD; Similar sites found: 438
This union binding pocket(no: 1) in the query (biounit: 4jna.bio2) has 50 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NYT NAP 0.007557 0.40972 0.738007
2 3U31 NAD 0.00142 0.45031 1.03448
3 5JJR SAH 0.009671 0.42226 1.34529
4 1BW9 NAD 0.0001461 0.49422 1.47059
5 1C1X NAD 0.0001773 0.47484 1.47059
6 1SB8 UD2 0.002695 0.40011 1.47059
7 1SB8 NAD 0.002138 0.40011 1.47059
8 4ZRN NAD 0.0003096 0.44318 1.60256
9 2WET FAD 0.00000006767 0.54123 1.76471
10 5EVY FAD 0.00001301 0.53589 1.76471
11 4FWE FAD 0.00000004049 0.5537 1.88442
12 4GUS FAD 0.00000004501 0.55374 1.93299
13 4GUT FAD 0.00000006152 0.55221 1.93299
14 2QA1 FAD 0.000000003232 0.62284 2.05882
15 4BV6 FAD 0.000000007117 0.57327 2.05882
16 2YG3 FAD 0.00000002931 0.56506 2.05882
17 3GMB FAD 0.00000005712 0.51681 2.05882
18 1O0S NAI 0.0001245 0.49304 2.05882
19 3DMH SAM 0.00268 0.44138 2.05882
20 5HJM MTA 0.00971 0.41902 2.05882
21 3DMH GMP 0.00747 0.40493 2.05882
22 3A1I UNU 0.0499 0.40299 2.05882
23 1R6D NAD 0.001083 0.41455 2.07715
24 1R6D DAU 0.001179 0.41243 2.07715
25 4DR9 BB2 0.0205 0.41296 2.08333
26 2I7C AAT 0.0005945 0.43529 2.12014
27 2O07 MTA 0.001266 0.43644 2.30263
28 2O07 SPD 0.001961 0.42325 2.30263
29 4YUW S4M 0.004659 0.41541 2.30263
30 4YUW 4JU 0.004787 0.41541 2.30263
31 5JWC FAD 0.00000000342 0.5592 2.35294
32 3NYC IAR 0.000002732 0.45891 2.35294
33 3NYC FAD 0.000002732 0.45891 2.35294
34 3H9E NAD 0.001024 0.44325 2.35294
35 1LLU NAD 0.0003586 0.44081 2.35294
36 4XYB NDP 0.0008297 0.42726 2.35294
37 5DXA SFG 0.008705 0.41242 2.35294
38 4OOE NDP 0.007116 0.40827 2.35294
39 1KEV NDP 0.003252 0.4052 2.35294
40 3B1J NAD 0.0003455 0.45305 2.35988
41 1LDM NAD 0.001044 0.43407 2.43161
42 1P77 ATR 0.00007291 0.56641 2.57353
43 4K5S FAD 0.00000001336 0.61063 2.64706
44 3GD4 NAD 0.00000003848 0.58811 2.64706
45 3GD4 FAD 0.00000001874 0.58352 2.64706
46 1QO8 FAD 0.00000007618 0.54297 2.64706
47 1Y8Q ATP 0.00001781 0.52518 2.64706
48 4K5S PM0 0.000000344 0.49161 2.64706
49 4MIG G3F 0.00000777 0.48379 2.64706
50 2QES ADE 0.01094 0.44977 2.64706
51 1HDG NAD 0.0005707 0.45711 2.71084
52 4OBW SAM 0.006052 0.43187 2.72374
53 2HJR APR 0.0001323 0.49189 2.7439
54 2F1K NAP 0.00006548 0.49278 2.86738
55 1IM8 SAI 0.002006 0.44709 2.86885
56 2IVD FAD 0.0000002968 0.54671 2.94118
57 2RGO FAD 0.000001607 0.4835 2.94118
58 1QMG APX 0.004318 0.42576 2.94118
59 3WBF NAP 0.002781 0.41982 2.95082
60 1DLJ NAI 0.000857 0.4154 2.98507
61 1Z82 NDP 0.005552 0.4102 2.98507
62 1DLJ UGA 0.002335 0.40057 2.98507
63 3FW3 ETS 0.02725 0.41699 3.00752
64 2B9W FAD 0.000001669 0.5135 3.06604
65 1KPG SAH 0.001141 0.45453 3.13589
66 2RGH FAD 0.0000004429 0.51113 3.15236
67 4OVZ P85 0.01481 0.42651 3.16456
68 3G5S FAD 0.00000001607 0.54523 3.23529
69 3T31 DCQ 0.0000002238 0.54487 3.23529
70 3T31 FAD 0.0000001907 0.54487 3.23529
71 5WGR FAD 0.0000006082 0.52015 3.23529
72 3GDN HBX 0.000000814 0.51955 3.23529
73 3GDN FAD 0.000000438 0.51777 3.23529
74 1E1M FAD 0.000001814 0.51 3.23529
75 2C7G FAD 0.000002334 0.50846 3.23529
76 2C7G ODP 0.00000545 0.49466 3.23529
77 1E1M NAP 0.000001814 0.45652 3.23529
78 2FJK 13P 0.02271 0.42119 3.23529
79 2VHW NAI 0.0001347 0.41759 3.23529
80 1G55 SAH 0.01212 0.41454 3.23529
81 3S1S SAH 0.01052 0.4088 3.23529
82 1UXG NAD 0.0002633 0.41554 3.23625
83 3OFK SAH 0.0009347 0.45839 3.24074
84 1YRO UDP 0.04284 0.41747 3.25203
85 4KOA NDP 0.007386 0.43121 3.3033
86 2DT5 NAD 0.00007409 0.48304 3.31754
87 1L7P SEP 0.0437 0.40963 3.31754
88 1Q9I TEO 0.000001327 0.51806 3.3275
89 1Q9I FAD 0.000001327 0.45061 3.3275
90 4K28 NAD 0.0002286 0.47387 3.34572
91 1ZBQ NAD 0.0003554 0.40027 3.36391
92 1GQ2 NAP 0.0004335 0.45224 3.42342
93 4G74 FAD 0.00000002252 0.58712 3.52941
94 2AQJ FAD 0.0000001461 0.55366 3.52941
95 2AQJ TRP 0.0000002478 0.5445 3.52941
96 2E5V FAD 0.0000001919 0.53119 3.52941
97 2RGJ FAD 0.00000003153 0.52124 3.52941
98 4G74 UQ5 0.0000001867 0.505 3.52941
99 5UAO FAD 0.0000004483 0.50449 3.52941
100 5G3U FDA 0.000001046 0.49337 3.52941
101 5G3U ITW 0.000008155 0.47823 3.52941
102 1HKU NAD 0.0006297 0.43986 3.52941
103 1E3I CXF 0.003001 0.40218 3.52941
104 3OND ADN 0.002029 0.40088 3.52941
105 9LDB NAD 0.0002413 0.45607 3.61446
106 1JQ3 AAT 0.0003578 0.44361 3.71622
107 1GZ6 NAI 0.001035 0.43147 3.76176
108 1XHC FAD 0.0000000002893 0.59511 3.82353
109 5MZI FAD 0.0000001333 0.55505 3.82353
110 5MZI FYK 0.0000001437 0.55505 3.82353
111 4RSL FAD 0.000001301 0.48475 3.82353
112 4U8P FDA 0.000003018 0.41824 3.82353
113 4U8P UDP 0.00000339 0.41249 3.82353
114 1NPD NAD 0.009645 0.4078 3.82353
115 1E3W NAD 0.00314 0.41516 3.83142
116 1ZK7 FAD 0.00000002095 0.54495 3.85439
117 1L5Y BEF 0.009075 0.43892 3.87097
118 4FN4 NAD 0.007039 0.40128 3.93701
119 3R7F CP 0.03757 0.41788 3.94737
120 2EWM NAD 0.00523 0.40407 4.01606
121 1F3L SAH 0.008774 0.41508 4.04984
122 4JDR FAD 0.000000007982 0.57985 4.11765
123 3RNM FAD 0.00000000695 0.57919 4.11765
124 2GMH FAD 0.000000009594 0.57716 4.11765
125 2F5Z FAD 0.00000001029 0.57351 4.11765
126 1ZMD FAD 0.000000008337 0.56881 4.11765
127 1ZMD NAI 0.00000263 0.55566 4.11765
128 2V3A FAD 0.00000001288 0.55337 4.11765
129 1H82 FAD 0.0000001254 0.5524 4.11765
130 1H82 GZZ 0.0000001842 0.5524 4.11765
131 2V3B FAD 0.00000001854 0.54464 4.11765
132 4MO2 FAD 0.000002195 0.50806 4.11765
133 4MO2 FDA 0.000004489 0.50061 4.11765
134 1YQZ FAD 0.0000001259 0.47067 4.11765
135 3ABI NAD 0.0006273 0.44282 4.11765
136 1VKO NAD 0.003246 0.40977 4.11765
137 1MV8 NAD 0.00003989 0.40458 4.11765
138 1YKF NAP 0.006237 0.40336 4.11765
139 2W47 UNF 0.005576 0.44811 4.16667
140 2HMT NAI 0.00001378 0.40624 4.16667
141 3VPH NAD 0.0001444 0.45848 4.19355
142 3VPH OXM 0.0002658 0.44288 4.19355
143 2I3G NAP 0.001102 0.4304 4.26136
144 3EGV SAH 0.003706 0.44562 4.33071
145 2NXE SAM 0.007553 0.42733 4.33071
146 2PV7 NAD 0.0002186 0.46756 4.36242
147 1A5Z NAD 0.00001303 0.5409 4.38871
148 1V59 FAD 0.000000002612 0.59678 4.41176
149 4IV9 FAD 0.000002194 0.50115 4.41176
150 3WGT FAD 0.000003534 0.49419 4.41176
151 3WGT QSC 0.000003886 0.49401 4.41176
152 3GF4 FAD 0.00001637 0.42872 4.41176
153 3GF4 UPG 0.00001509 0.42112 4.41176
154 1V59 NAD 0.0000002865 0.40036 4.41176
155 3OZ2 FAD 0.0000000039 0.59493 4.53401
156 3DXY SAM 0.000668 0.49605 4.58716
157 2CVQ NDP 0.005891 0.40671 4.58716
158 5BVA FAD 0.000000003283 0.59176 4.70588
159 2R4J 13P 0.000004919 0.49399 4.70588
160 1F8G NAD 0.0006066 0.46674 4.70588
161 2R4J FAD 0.000004919 0.44937 4.70588
162 1M2W NAD 0.008906 0.41198 4.70588
163 4ZCC FAD 0.0000008004 0.5198 4.7619
164 4ZCC NAI 0.0000008004 0.5198 4.7619
165 1NVM NAD 0.0005026 0.44367 4.80769
166 3LL5 IP8 0.02967 0.42512 4.81928
167 1CER NAD 0.0001899 0.4736 4.83384
168 4REP FAD 0.0000004236 0.50898 4.84848
169 1HYH NAD 0.00008228 0.47424 4.85437
170 3QV1 NAD 0.001059 0.43667 4.87805
171 3GDH SAH 0.009203 0.40868 4.97925
172 1Q1R FAD 0.000000005353 0.6046 5
173 2NVK FAD 0.000000002183 0.59004 5
174 1FEC FAD 0.000000005956 0.58637 5
175 1GPE FAD 0.0000005316 0.51929 5
176 4TXI FAD 0.0000001158 0.49786 5
177 1COY FAD 0.000003891 0.48944 5
178 1COY AND 0.0000109 0.42759 5
179 1EZ4 NAD 0.0001785 0.47471 5.03145
180 3UC5 ATP 0.02426 0.40934 5.09554
181 4BQS K2Q 0.04752 0.40764 5.11364
182 1M2K APR 0.003527 0.41826 5.22088
183 3SQP FAD 0.0000004942 0.59019 5.29412
184 4M52 FAD 0.00000000466 0.58324 5.29412
185 2A8X FAD 0.000000009135 0.56743 5.29412
186 2Z3Y F2N 0.00000006417 0.54703 5.29412
187 1PN0 IPH 0.0000002739 0.53309 5.29412
188 1PN0 FAD 0.0000002499 0.53309 5.29412
189 2DKH 3HB 0.0000002444 0.51624 5.29412
190 2DKH FAD 0.0000000646 0.51088 5.29412
191 4MOP 2H5 0.00001191 0.48084 5.29412
192 1DJN ADP 0.00000005765 0.4673 5.29412
193 1I0Z NAI 0.0007658 0.43939 5.29412
194 2IXB NAD 0.001452 0.42574 5.29412
195 2IXB A2G 0.001961 0.40457 5.29412
196 5AYV KPL 0.0003465 0.40275 5.29412
197 4YSX FAD 0.0000001472 0.52686 5.31915
198 1WP4 NDP 0.002296 0.42588 5.53633
199 3QVP FAD 0.0000004481 0.51892 5.58824
200 5M67 3D1 0.001524 0.40599 5.58824
201 5M67 NAD 0.001616 0.40513 5.58824
202 5M67 ADE 0.001699 0.4044 5.58824
203 1JQD SAH 0.007544 0.40008 5.82192
204 3EGI ADP 0.002244 0.48471 5.82524
205 1O94 ADP 0.00000002279 0.64932 5.88235
206 5BUK FAD 0.000000002879 0.59367 5.88235
207 2HQM FAD 0.000000007059 0.57725 5.88235
208 4CNK FAD 0.000000004916 0.56594 5.88235
209 5TS5 FAD 0.0000002559 0.5292 5.88235
210 3QJ4 FAD 0.000001487 0.514 5.88235
211 1REO FAD 0.0000003184 0.51287 5.88235
212 4RPL FAD 0.000003112 0.51126 5.88235
213 4RPL 3UC 0.000006116 0.50363 5.88235
214 5BR7 FAD 0.000006421 0.49827 5.88235
215 5BR7 FLC 0.000006819 0.49735 5.88235
216 1ELI PYC 0.000009991 0.46115 5.88235
217 2IID FAD 0.000001359 0.4578 5.88235
218 2IID PHE 0.000001359 0.4578 5.88235
219 1GTE FAD 0.0000004203 0.45205 5.88235
220 3HDY FAD 0.000006625 0.42281 5.88235
221 3HDY FDA 0.000007587 0.42186 5.88235
222 3HDY GDU 0.000008071 0.41864 5.88235
223 1XDS SAM 0.04252 0.40019 5.88235
224 4QTU SAM 0.001079 0.46313 5.92593
225 1JG3 ADN 0.000854 0.47193 5.95745
226 1JNR FAD 0.00000002794 0.59312 6
227 1S17 GNR 0.02741 0.40079 6.11111
228 4YCA NDP 0.0001789 0.47468 6.12245
229 2NPX FAD 0.00000001234 0.5917 6.17647
230 4Z24 FAD 0.000000177 0.53083 6.17647
231 2JB2 FAD 0.0000005954 0.52415 6.17647
232 2JB2 PHE 0.0000007239 0.51757 6.17647
233 4HA6 FAD 0.0000003259 0.51696 6.17647
234 2Y6Q I7T 0.0000008317 0.51411 6.17647
235 2Y6Q FAD 0.00000005364 0.50865 6.17647
236 4DSG FAD 0.000006528 0.49705 6.17647
237 4DSG UDP 0.000006528 0.49705 6.17647
238 2NPX NAD 0.00000012 0.47462 6.17647
239 4C3Y FAD 0.00001359 0.46573 6.17647
240 3V1Y NAD 0.0003928 0.4605 6.17647
241 4C3Y ANB 0.00005118 0.45383 6.17647
242 2Q1S NAI 0.0001137 0.43883 6.17647
243 3LU1 NAD 0.001125 0.43278 6.17647
244 3WMX NAD 0.004428 0.41684 6.17647
245 1UAY ADN 0.003575 0.45441 6.19835
246 3BAZ NAP 0.001185 0.44372 6.30631
247 1LDN NAD 0.00009318 0.40844 6.32911
248 2PZM UDP 0.000995 0.40744 6.36364
249 2PZM NAD 0.000995 0.40744 6.36364
250 3E1T FAD 0.000000003252 0.59018 6.47059
251 5TUF FAD 0.0000002607 0.56663 6.47059
252 5HSA FAS 0.000000106 0.53501 6.47059
253 5TUK FAD 0.0000003454 0.46663 6.47059
254 2JJQ SAH 0.008023 0.4368 6.47059
255 5TUF TDC 0.000002743 0.436 6.47059
256 4D7E FAD 0.00005266 0.43399 6.47059
257 1RYI FAD 0.0000011 0.50149 6.5445
258 1RYI GOA 0.004439 0.41437 6.5445
259 4RDH AMP 0.00001549 0.56606 6.59722
260 2Q1W NAD 0.0001037 0.46708 6.60661
261 5JE8 NAD 0.0002488 0.47232 6.62252
262 3GGO ENO 0.001535 0.40016 6.6879
263 3GGO NAI 0.001535 0.40016 6.6879
264 1J5P NAD 0.0009833 0.44091 6.71937
265 4YRY FAD 0.00000001115 0.57067 6.76471
266 4YRY NAD 0.00000003432 0.56924 6.76471
267 3NKS FAD 0.0000002375 0.54602 6.76471
268 3AYI FAD 0.0000004748 0.52879 6.76471
269 3AYI HCI 0.0000005153 0.52879 6.76471
270 5EOW FAD 0.00000002347 0.52854 6.76471
271 3ZNN FAD 0.000003323 0.50422 6.76471
272 3ZNN 4WL 0.000003323 0.50422 6.76471
273 3K7M FAD 0.0000001817 0.48484 6.76471
274 3S5W FAD 0.0000003784 0.48005 6.76471
275 4EMI NAD 0.00000002211 0.58351 7.05882
276 4EMI FAD 0.00000000192 0.57868 7.05882
277 3KLJ FAD 0.0000000003989 0.57517 7.05882
278 4J36 1HR 0.0000008913 0.50897 7.05882
279 4J36 FAD 0.00000007968 0.50886 7.05882
280 1I8T FAD 0.000003485 0.48054 7.05882
281 2GCG NDP 0.007626 0.40219 7.27273
282 5JCJ NAP 0.004055 0.41323 7.29167
283 4CM4 NAP 0.00412 0.41296 7.29167
284 3BMQ NAP 0.004249 0.40996 7.29167
285 3BMO NAP 0.0052 0.40889 7.29167
286 3JQF NAP 0.005187 0.40653 7.29167
287 4CMI NAP 0.006065 0.4062 7.29167
288 3JQB NAP 0.007137 0.40574 7.29167
289 3JQA NAP 0.007359 0.4052 7.29167
290 3JQG NAP 0.007875 0.40399 7.29167
291 4OPC FDA 0.00000004504 0.60146 7.35294
292 4OPC PGT 0.00000006222 0.60145 7.35294
293 4USQ FAD 0.000000007405 0.54403 7.35294
294 2VVL FAD 0.0000001069 0.54195 7.35294
295 2VVM FAD 0.00000009549 0.53323 7.35294
296 4YNU FAD 0.0000003258 0.52499 7.35294
297 1D4D FAD 0.0000003544 0.52232 7.35294
298 4YNU LGC 0.0000005873 0.52185 7.35294
299 1KEW NAD 0.001491 0.40808 7.35294
300 3AXB FAD 0.0000000721 0.56443 7.36607
301 3AXB PRO 0.0000002328 0.52688 7.36607
302 5I39 FAD 0.000001157 0.49126 7.59804
303 5JCA NDP 0.00000002064 0.58576 7.64706
304 5JCA FAD 0.000000004477 0.58381 7.64706
305 1E6E FAD 0.0000001156 0.51587 7.8125
306 4COV GLA GAL 0.04673 0.41141 7.86517
307 5TTJ FAD 0.00000007027 0.53418 7.94118
308 1RSG FAD 0.0000001908 0.52974 7.94118
309 1N4W FAD 0.000006208 0.48089 7.94118
310 2XVE FAD 0.00002621 0.47592 7.94118
311 2XVF FAD 0.000002993 0.47444 7.94118
312 2EG5 SAH 0.00345 0.45519 7.94118
313 1Z45 NAD 0.0004614 0.44809 7.94118
314 4XQC 13D 0.0004686 0.41939 7.94118
315 4XQC NAD 0.0006859 0.41283 7.94118
316 4NBU NAI 0.005987 0.40178 8
317 2FK8 SAM 0.0007337 0.46688 8.1761
318 2X3N FAD 0.0000001346 0.55479 8.23529
319 1YKJ PHB 0.00000281 0.51185 8.23529
320 1YKJ FAD 0.00000281 0.51185 8.23529
321 4NEC SAH 0.02568 0.40811 8.33333
322 2AHR NAP 0.007835 0.40172 8.49421
323 1MUU NAD 0.00003995 0.50583 8.52941
324 1H2B NAJ 0.0008613 0.42922 8.52941
325 1V8B NAD 0.0002491 0.4109 8.52941
326 1R6N 434 0.02932 0.42766 8.53081
327 1LVL NAD 0.000001661 0.58666 8.82353
328 1YY5 FAD 0.00000004929 0.55242 8.82353
329 1LVL FAD 0.00000005052 0.54327 8.82353
330 1NAA 6FA 0.000001574 0.4947 8.82353
331 1NAA ABL 0.000003064 0.4509 8.82353
332 3QFA FAD 0.000000002024 0.59525 8.8632
333 2VDV SAM 0.001272 0.47689 8.94309
334 5E8J SAH 0.005463 0.44518 9.09091
335 3ICS FAD 0.000000001436 0.58281 9.11765
336 3ICR FAD 0.00000000133 0.57981 9.11765
337 3ICT FAD 0.000000002721 0.57011 9.11765
338 2YVF NAD 0.00000006082 0.56929 9.11765
339 2YVF FAD 0.00000005634 0.56929 9.11765
340 2YVJ FAD 0.00000001085 0.55086 9.11765
341 3ICT ADP 0.0000002837 0.40013 9.11765
342 1C3V NDP 0.002792 0.41469 9.38776
343 3NTA FAD 0.000000008632 0.59241 9.41177
344 3NT6 FAD 0.000000003295 0.57206 9.41177
345 4D04 NAP 0.000005278 0.50222 9.41177
346 4D04 FAD 0.000005278 0.50222 9.41177
347 2DBX GLU 0.046 0.41217 9.47368
348 1V6A TRE 0.01769 0.43533 9.63855
349 3NTD FAD 0.00000000639 0.56288 9.70588
350 2FR1 NDP 0.003445 0.40878 9.70588
351 5N53 8NB 0.002982 0.47948 9.74359
352 3UCL FAD 0.00001067 0.49328 10
353 3UCL CYH 0.00001067 0.49328 10
354 3UCL NAP 0.00001295 0.4929 10
355 5J7X FAD 0.000001201 0.49105 10
356 1TE2 PGA 0.04175 0.41339 10.6195
357 1RL4 BRR 0.03779 0.41697 10.6383
358 5ODQ FAD 0.00000001087 0.57103 10.7143
359 5FJN BE2 0.0000006593 0.51615 10.8824
360 5FJN FAD 0.000000505 0.51572 10.8824
361 5MQ6 NDP 0.0001186 0.49396 10.8824
362 2CUL FAD 0.0000001158 0.51238 11.2069
363 3G89 SAM 0.0005414 0.49545 11.245
364 1KYQ NAD 0.00000178 0.40515 11.3139
365 2CDU FAD 0.000000003159 0.56464 11.4706
366 1OBB NAD 0.003573 0.42636 11.4706
367 2CDU ADP 0.0000006296 0.40893 11.4706
368 3VC1 SAH 0.01187 0.4065 11.5385
369 5MBX FAD 0.0000004961 0.53055 11.7647
370 5MBX SP5 0.0000004961 0.53055 11.7647
371 4BJZ P3A 0.000001843 0.52489 11.7647
372 4AP3 NAP 0.000002794 0.50995 11.7647
373 4AP3 FAD 0.000002794 0.50995 11.7647
374 4BJZ FAD 0.00424 0.43312 11.7647
375 2GAG NAD 0.000000004982 0.56121 12.1212
376 2GAG FAD 0.000002402 0.4973 12.1212
377 2GAG FOA 0.000002433 0.49711 12.1212
378 4J56 FAD 0.000000002707 0.59456 12.6471
379 2ZXI FAD 0.00000003549 0.57538 12.6471
380 4J4H NAI 0.01703 0.40783 12.7413
381 4J4H 1J1 0.01131 0.40047 12.7413
382 1GET FAD 0.0000000238 0.58821 12.9412
383 1GET NAP 0.00000002744 0.58821 12.9412
384 3AD8 NAD 0.000000005534 0.54482 13.1313
385 3AD8 FAD 0.000006652 0.50144 13.1313
386 3AD8 PYC 0.000006652 0.50144 13.1313
387 1PS9 FAD 0.00000001268 0.56502 13.5294
388 4AT0 FAD 0.00005135 0.45489 13.5294
389 3JV7 NAD 0.0006872 0.44125 13.5294
390 2P41 SAH 0.01897 0.4084 13.5294
391 2WPF WPF 0.00000009755 0.58968 14.1176
392 2WPF FAD 0.00000009022 0.58864 14.1176
393 3LXD FAD 0.000000001785 0.56616 14.1176
394 3FG2 FAD 0.000000002033 0.55513 14.1176
395 1KNR FAD 0.0000003125 0.51632 14.4118
396 3GFB NAD 0.001395 0.43471 14.7059
397 4UUU SAM 0.02704 0.4102 15.4839
398 1BZL FAD 0.0000002246 0.57464 15.5882
399 3WE0 FAD 0.000005702 0.47657 15.5882
400 4X9M FAD 0.0000009365 0.50061 16.1765
401 1XCL SAH 0.005102 0.40223 17.0213
402 5H81 NAP 0.007059 0.41929 17.3529
403 3NJ4 NAD 0.006658 0.4145 17.3529
404 3NJ4 AFX 0.01502 0.40092 17.3529
405 3CGB FAD 0.000000001306 0.58119 17.9412
406 5U8U FAD 0.00000004891 0.57601 19.4118
407 3Q9T FAY 0.000005481 0.47044 19.4118
408 3CGD NAD 0.00000002647 0.59692 20.5882
409 3CGD FAD 0.00000002647 0.59692 20.5882
410 3CGD COA 0.00000002647 0.59692 20.5882
411 3LAD FAD 0.000000009119 0.57356 20.5882
412 4HSU FAD 0.0000001224 0.53921 23.3333
413 1TDF FAD 0.0000000001238 0.64305 23.5294
414 1TDF NAP 0.000000001018 0.64157 23.5294
415 3UOY FAD 0.000004722 0.50762 23.5294
416 3UOY NAP 0.000004722 0.50762 23.5294
417 2RAB NAD 0.00000003046 0.58441 24.1176
418 2RAB FAD 0.000000006058 0.58287 24.1176
419 1VDC FAD 0.0000000002527 0.63435 27.3529
420 1FL2 FAD 0.00000000008276 0.62783 27.3529
421 2V6O FAD 0.00000005441 0.44228 27.9412
422 4M38 SAH 0.0009796 0.46119 28.5714
423 3LZW NAP 0.0000002855 0.54236 34.6386
424 3LZW FAD 0.00000003178 0.54095 34.6386
425 4USR FAD 0.00000006676 0.51154 35
426 3AB1 FAD 0.000000004714 0.59212 35.2941
427 1MO9 FAD 0.00000001687 0.605 37.0588
428 1MO9 KPC 0.00000001813 0.60482 37.0588
429 2Q0L FAD 0.00000000003199 0.66047 37.6206
430 2Q0L NAP 0.0006232 0.48747 37.6206
431 3F8D FAD 0.000000001507 0.63547 38.0805
432 4UP3 FAD 0.0000000001695 0.62237 40.4459
433 2Q7V FAD 0.00000000002311 0.66522 40.6154
434 5VN0 FAD 0.000000003104 0.60799 41.4706
435 5VN0 NAI 0.000000106 0.47226 41.4706
436 5J60 FAD 0.0000000001229 0.62671 42.1875
437 3CTY FAD 0.000000001485 0.60328 42.3197
438 3ITJ FAD 0.0000000001803 0.64104 42.3529
Pocket No.: 2; Query (leader) PDB : 4JNA; Ligand: FAD; Similar sites found: 16
This union binding pocket(no: 2) in the query (biounit: 4jna.bio1) has 50 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2G50 PYR 0.04378 0.40379 1.47059
2 2BH9 NAP 0.03731 0.40004 1.47059
3 3C8F MT2 0.04493 0.40789 3.67347
4 3PMA SCR 0.01541 0.43748 3.861
5 3KU0 ADE 0.04386 0.41404 3.98406
6 3FZG SAM 0.03226 0.40318 4.5
7 4K79 GAL A2G 0.03203 0.42098 5
8 2YPI PGA 0.03837 0.40909 5.26316
9 3A6T 8OG 0.0357 0.40099 5.88235
10 1HSR BHO 0.04444 0.41024 6.10465
11 1RQL VSO 0.04642 0.40467 6.36704
12 4A3R CIT 0.03363 0.40539 9.11765
13 1YRB GDP 0.03344 0.40241 9.11765
14 3ICS ADP 0.0000002404 0.40076 9.11765
15 1G27 BB1 0.03235 0.40017 11.9048
16 3TLJ SAH 0.01889 0.40018 12.0588
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