Receptor
PDB id Resolution Class Description Source Keywords
5KF6 1.7 Å NON-ENZYME: OTHER STRUCTURE OF PROLINE UTILIZATION A FROM SINORHIZOBIUM MELILO COMPLEXED WITH L-TETRAHYDROFUROIC ACID AND NAD+ IN SPACE GR SINORHIZOBIUM MELILOTI (STRAIN SM11) FLAVOENZYME ROSSMANN FOLD ALDEHYDE DEHYDROGENASE PROLINE CATABOLISM SUBSTRATE CHANNELING BIFUNCTIONAL ENZYME OXIDOREDUCTASE
Ref.: STRUCTURES OF PROLINE UTILIZATION A (PUTA) REVEAL T AND FUNCTIONS OF THE ALDEHYDE DEHYDROGENASE SUPERFA DOMAIN OF UNKNOWN FUNCTION. J.BIOL.CHEM. V. 291 24065 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAD B:2002;
A:2002;
Valid;
Valid;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
TFB B:2003;
A:2003;
Valid;
Valid;
none;
none;
submit data
116.115 C5 H8 O3 C1C[C...
FAD A:2001;
B:2001;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
MG A:2004;
B:2004;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
PGE A:2007;
B:2006;
B:2008;
A:2006;
A:2005;
B:2007;
B:2009;
B:2005;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
150.173 C6 H14 O4 C(COC...
PG4 B:2010;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KF6 1.7 Å NON-ENZYME: OTHER STRUCTURE OF PROLINE UTILIZATION A FROM SINORHIZOBIUM MELILO COMPLEXED WITH L-TETRAHYDROFUROIC ACID AND NAD+ IN SPACE GR SINORHIZOBIUM MELILOTI (STRAIN SM11) FLAVOENZYME ROSSMANN FOLD ALDEHYDE DEHYDROGENASE PROLINE CATABOLISM SUBSTRATE CHANNELING BIFUNCTIONAL ENZYME OXIDOREDUCTASE
Ref.: STRUCTURES OF PROLINE UTILIZATION A (PUTA) REVEAL T AND FUNCTIONS OF THE ALDEHYDE DEHYDROGENASE SUPERFA DOMAIN OF UNKNOWN FUNCTION. J.BIOL.CHEM. V. 291 24065 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 5KF6 - TFB C5 H8 O3 C1C[C@H](O....
2 5KF7 - 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 1068 families.
1 5KF6 - TFB C5 H8 O3 C1C[C@H](O....
2 5KF7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3HAZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
2 4Q73 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 4Q71 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 4Q72 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 5KF6 - TFB C5 H8 O3 C1C[C@H](O....
6 5KF7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; 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
Ligand no: 2; Ligand: TFB; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 TFB 1 1
Ligand no: 3; 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 : 5KF6; Ligand: NAD; Similar sites found: 64
This union binding pocket(no: 1) in the query (biounit: 5kf6.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4R84 CSF 0.002788 0.44436 1.39165
2 1OFL NGK GCD 0.008977 0.43256 1.86235
3 3LKF PC 0.02309 0.41742 2.34114
4 3TY3 GGG 0.03233 0.40989 2.45902
5 1KYQ NAD 0.01639 0.40446 2.55474
6 1RZU ADP 0.02354 0.40689 2.68041
7 5JFL NAD 0.000000009129 0.62038 2.8626
8 5IFK HPA 0.01612 0.42997 2.88462
9 1KAE NAD 0.02031 0.41011 2.99539
10 3QSB 743 0.00772 0.43532 3.00546
11 1TVP CBI 0.01421 0.42897 3.07167
12 1HPG BOC ALA ALA PRO GLU 0.03028 0.4014 3.20856
13 1IK4 PGH 0.003432 0.4486 3.28947
14 2VC9 NOK 0.03369 0.40254 3.59147
15 5JE8 NAD 0.006938 0.40068 3.64238
16 2Z4T C5P 0.03391 0.40239 3.89105
17 4ZTD ALA GLY ALA GLY ALA 0.02998 0.40132 3.95257
18 1WDK NAD 0.006311 0.40786 4.10256
19 3I5C C2E 0.02303 0.4212 4.36893
20 5KJW 53C 0.004502 0.45827 4.44965
21 5E5U MLI 0.006156 0.46392 4.54545
22 1YFS ALA 0.03167 0.41194 4.73118
23 3EFS BTN 0.01159 0.40826 6.43777
24 5UAV TFB 0.00232 0.40892 6.52174
25 5UAV NDP 0.00232 0.40892 6.52174
26 1I7M CG 0.01168 0.43043 7.46269
27 5MX4 HPA 0.03708 0.40608 7.72532
28 3A4T SFG 0.008155 0.40598 8.0292
29 1FAO 4IP 0.03395 0.41001 10.3175
30 3DXY SAM 0.01875 0.41185 10.5505
31 1HXD BTN 0.01918 0.40127 11.215
32 2XG5 EC2 0.0003019 0.5315 11.5607
33 2XG5 EC5 0.0003019 0.5315 11.5607
34 4Q4X SIA 0.01483 0.43217 11.5942
35 1HE1 AF3 0.0224 0.41979 13.3333
36 5TVF CGQ 0.01387 0.42652 14.1176
37 1L5Y BEF 0.03811 0.4067 15.4839
38 1EZ0 NAP 0.000000005649 0.61627 19.2157
39 5KY9 GDP 0.02677 0.4007 22.5
40 2Y5D NAP 0.0000000002353 0.68903 27.3408
41 5UCD NAP 0.00000000004921 0.72374 33.2604
42 4ZUL UN1 0.000000000686 0.65703 33.9181
43 4YWV SSN 0.000000004767 0.60745 35.4839
44 3EFV NAD 0.00000000009608 0.69676 36.7965
45 3VZ3 NAP 0.0000000002526 0.6667 37.4179
46 3VZ3 SSN 0.0000000003148 0.627 37.4179
47 3IWJ NAD 0.0000000000006571 0.61651 37.5746
48 4I8P NAD 0.000000000000009548 0.82593 37.8846
49 4I9B NAD 0.000000000004785 0.82397 38.1045
50 4OE4 NAD 0.0008105 0.45024 38.2759
51 4A0M NAD 0.0000000000001522 0.78702 38.3064
52 2QE0 NAP 0.00000000000263 0.65291 38.5263
53 4NS3 NAD 0.0000000004579 0.74535 38.7211
54 3IWK NAD 0.00000000008842 0.75753 38.7674
55 3RHJ NAP 0.0000000000001171 0.72239 39.4584
56 4LH0 GLV 0.0000000000006185 0.70947 39.6092
57 4I3V NAD 0.0000000000009058 0.75808 40.1639
58 5L13 6ZE 0.00000000000118 0.59863 41.5861
59 1O9J NAD 0.00000000000001044 0.80284 41.7166
60 1T90 NAD 0.0000000000005049 0.75115 43.0041
61 3JZ4 NAP 0.00000000007487 0.71646 43.0353
62 2WME NAP 0.0000000002204 0.5678 43.2653
63 2WOX NDP 0.0000000000005469 0.76386 43.3538
64 2IMP NAI 0.003561 0.45988 44.4676
Pocket No.: 2; Query (leader) PDB : 5KF6; Ligand: TFB; Similar sites found: 63
This union binding pocket(no: 2) in the query (biounit: 5kf6.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4AMW 5DI 0.03708 0.40911 0.97371
2 1SR9 KIV 0.04612 0.40383 1.39752
3 5M12 7D0 0.02352 0.40802 1.73913
4 3B9O FMN 0.02114 0.40039 2.04545
5 3B4Y F42 0.004011 0.42049 2.24719
6 3R4S SIA 0.03022 0.40824 2.25734
7 2WSI FAD 0.01229 0.40226 2.28758
8 3APT FAD 0.0004754 0.44607 2.58065
9 3VWX GSH 0.03162 0.41277 2.7027
10 3WV6 GAL BGC 0.02572 0.40893 2.7027
11 2J5V RGP 0.03305 0.41062 2.7248
12 3NZ1 3NY 0.02947 0.40668 3.06513
13 2YPI PGA 0.02984 0.40634 3.23887
14 4YMJ 4EJ 0.03307 0.41308 3.28947
15 4RL4 PPV 0.008253 0.4451 3.30189
16 3HQP OXL 0.01345 0.43151 3.40681
17 3HQP FDP 0.02561 0.40977 3.40681
18 2O1O RIS 0.04538 0.40612 3.53261
19 2I6A 5I5 0.009585 0.41653 3.76812
20 3FGC FMN 0.0004355 0.47027 3.80567
21 4C01 QY9 0.02632 0.42309 3.90071
22 1P77 ATR 0.008241 0.44431 4.04412
23 3H11 ALA ILE GLU THR ASA 0.03142 0.40167 4.04412
24 1M3U KPL 0.02277 0.41633 4.16667
25 3UN3 G16 0.03093 0.40726 4.26065
26 5KJW 53C 0.03239 0.41243 4.44965
27 4A91 GLU 0.0104 0.43194 4.69799
28 2G50 PYR 0.006048 0.44871 4.90566
29 5N1Q COM 0.03732 0.40004 4.98084
30 3ZVS MLI 0.01363 0.42347 5
31 1AXD GGL CYW GLY 0.03862 0.40804 5.74163
32 4NAE 1GP 0.02405 0.41721 5.77778
33 3KP6 SAL 0.03254 0.4153 5.96026
34 5A07 GDP 0.0183 0.41729 5.99078
35 2VT3 ATP 0.009396 0.42801 6.04651
36 1S4P GDP 0.02545 0.4063 6.32184
37 2D6M LBT 0.02672 0.4065 6.91824
38 4RW3 PLM 0.01589 0.46504 7.28477
39 5DG2 GAL GLC 0.02737 0.41289 7.40741
40 4OSP 2V4 0.02837 0.41533 7.60456
41 2REG CHT 0.02449 0.40714 7.71812
42 5H9O GLC 0.04524 0.40611 7.95455
43 2AJH MET 0.03224 0.41863 8.16327
44 5H9Q TD2 0.0302 0.42279 8.3871
45 2YIP YIO 0.04078 0.41674 8.69565
46 2X1L ADN 0.03915 0.40023 8.77863
47 4BQS ADP 0.02498 0.41034 9.09091
48 2YMZ LAT 0.02813 0.40995 9.23077
49 4IJ6 SEP 0.03757 0.41024 9.47867
50 1ZPT FAD 0.00284 0.40552 9.53947
51 3G5K BB2 0.01939 0.40534 9.83607
52 1UJP CIT 0.01221 0.41159 9.9631
53 3S5W ONH 0.04772 0.40444 10.3672
54 1QPR PPC 0.01424 0.4023 11.9718
55 2PA7 TYD 0.04551 0.40621 17.0213
56 5L95 AMP 0.00686 0.41658 21.25
57 2BOS GLA GAL GLC NBU 0.03165 0.41249 27.9412
58 4NMC 2OP 4.341e-18 0.94935 44.0796
59 4NMC FAD 5.365e-18 0.94935 44.0796
60 4H6Q TFB 0.0000000000007273 0.78158 45.8333
61 4H6Q FAD 0.0000000000115 0.76042 45.8333
62 2G37 FAD 0.00000000003302 0.77887 46.4832
63 5M42 FMN 0.000000000004912 0.86255 46.9534
Pocket No.: 3; Query (leader) PDB : 5KF6; Ligand: FAD; Similar sites found: 63
This union binding pocket(no: 3) in the query (biounit: 5kf6.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4AMW 5DI 0.03708 0.40911 0.97371
2 1SR9 KIV 0.04612 0.40383 1.39752
3 5M12 7D0 0.02352 0.40802 1.73913
4 3B9O FMN 0.02114 0.40039 2.04545
5 3B4Y F42 0.004011 0.42049 2.24719
6 3R4S SIA 0.03022 0.40824 2.25734
7 2WSI FAD 0.01229 0.40226 2.28758
8 3APT FAD 0.0004754 0.44607 2.58065
9 3VWX GSH 0.03162 0.41277 2.7027
10 3WV6 GAL BGC 0.02572 0.40893 2.7027
11 2J5V RGP 0.03305 0.41062 2.7248
12 3NZ1 3NY 0.02947 0.40668 3.06513
13 2YPI PGA 0.02984 0.40634 3.23887
14 4YMJ 4EJ 0.03307 0.41308 3.28947
15 4RL4 PPV 0.008253 0.4451 3.30189
16 3HQP OXL 0.01345 0.43151 3.40681
17 3HQP FDP 0.02561 0.40977 3.40681
18 2O1O RIS 0.04538 0.40612 3.53261
19 2I6A 5I5 0.009585 0.41653 3.76812
20 3FGC FMN 0.0004355 0.47027 3.80567
21 4C01 QY9 0.02632 0.42309 3.90071
22 1P77 ATR 0.008241 0.44431 4.04412
23 3H11 ALA ILE GLU THR ASA 0.03142 0.40167 4.04412
24 1M3U KPL 0.02277 0.41633 4.16667
25 3UN3 G16 0.03093 0.40726 4.26065
26 5KJW 53C 0.03239 0.41243 4.44965
27 4A91 GLU 0.0104 0.43194 4.69799
28 2G50 PYR 0.006048 0.44871 4.90566
29 5N1Q COM 0.03732 0.40004 4.98084
30 3ZVS MLI 0.01363 0.42347 5
31 1AXD GGL CYW GLY 0.03862 0.40804 5.74163
32 4NAE 1GP 0.02405 0.41721 5.77778
33 3KP6 SAL 0.03254 0.4153 5.96026
34 5A07 GDP 0.0183 0.41729 5.99078
35 2VT3 ATP 0.009396 0.42801 6.04651
36 1S4P GDP 0.02545 0.4063 6.32184
37 2D6M LBT 0.02672 0.4065 6.91824
38 4RW3 PLM 0.01589 0.46504 7.28477
39 5DG2 GAL GLC 0.02737 0.41289 7.40741
40 4OSP 2V4 0.02837 0.41533 7.60456
41 2REG CHT 0.02449 0.40714 7.71812
42 5H9O GLC 0.04524 0.40611 7.95455
43 2AJH MET 0.03224 0.41863 8.16327
44 5H9Q TD2 0.0302 0.42279 8.3871
45 2YIP YIO 0.04078 0.41674 8.69565
46 2X1L ADN 0.03915 0.40023 8.77863
47 4BQS ADP 0.02498 0.41034 9.09091
48 2YMZ LAT 0.02813 0.40995 9.23077
49 4IJ6 SEP 0.03757 0.41024 9.47867
50 1ZPT FAD 0.00284 0.40552 9.53947
51 3G5K BB2 0.01939 0.40534 9.83607
52 1UJP CIT 0.01221 0.41159 9.9631
53 3S5W ONH 0.04772 0.40444 10.3672
54 1QPR PPC 0.01424 0.4023 11.9718
55 2PA7 TYD 0.04551 0.40621 17.0213
56 5L95 AMP 0.00686 0.41658 21.25
57 2BOS GLA GAL GLC NBU 0.03165 0.41249 27.9412
58 4NMC 2OP 4.341e-18 0.94935 44.0796
59 4NMC FAD 5.365e-18 0.94935 44.0796
60 4H6Q TFB 0.0000000000007273 0.78158 45.8333
61 4H6Q FAD 0.0000000000115 0.76042 45.8333
62 2G37 FAD 0.00000000003302 0.77887 46.4832
63 5M42 FMN 0.000000000004912 0.86255 46.9534
Pocket No.: 4; Query (leader) PDB : 5KF6; Ligand: FAD; Similar sites found: 8
This union binding pocket(no: 4) in the query (biounit: 5kf6.bio2) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3N9O OGA 0.01437 0.42516 1.51515
2 1CQ1 PQQ 0.01877 0.40131 2.20264
3 4DD8 BAT 0.04385 0.40058 2.88462
4 1CT9 AMP 0.03463 0.40217 4.33996
5 4RW3 IPD 0.004829 0.44655 7.28477
6 1KZN CBN 0.007996 0.41185 8.78049
7 5F7J ADE 0.04919 0.40001 10.625
8 4QXB OGA 0.03037 0.40515 23.5294
Pocket No.: 5; Query (leader) PDB : 5KF6; Ligand: TFB; Similar sites found: 4
This union binding pocket(no: 5) in the query (biounit: 5kf6.bio2) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2HU5 GLY PHE 0.008064 0.40331 2.74914
2 5THQ NDP 0.01419 0.41653 3.30882
3 5F2K OCA 0.02866 0.40503 6.52174
4 5F2K SAH 0.02866 0.40503 6.52174
Pocket No.: 6; Query (leader) PDB : 5KF6; Ligand: NAD; Similar sites found: 10
This union binding pocket(no: 6) in the query (biounit: 5kf6.bio2) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2D3Y DU 0.02951 0.42418 3.65297
2 4TSZ ACE GLN ALC ASP LEU ZCL 0.02343 0.40028 4.61957
3 2GMV PEP 0.03138 0.40257 4.64
4 1VBO MAN MAN MAN 0.01369 0.43227 4.69799
5 1VBO MAN 0.02712 0.42776 4.69799
6 4DSU BZI 0.0429 0.40053 4.7619
7 5FUI APY 0.02395 0.40493 5.30303
8 3G6N MET ALA SER 0.0374 0.40773 5.75916
9 4LOC OXM 0.02694 0.40894 7.43671
10 5LWY OLA 0.01514 0.40295 8.41121
Pocket No.: 7; Query (leader) PDB : 5KF6; 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: 5kf6.bio3) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 5KF6; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 5kf6.bio3) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 5KF6; Ligand: TFB; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 5kf6.bio3) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 5KF6; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 5kf6.bio3) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 5KF6; Ligand: TFB; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 5kf6.bio3) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 5KF6; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 5kf6.bio3) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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