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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 1443 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 1205 families.
1 5KF6 - TFB C5 H8 O3 C1C[C@H](O....
2 5KF7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 6BSN - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
2 3HAZ - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
3 4Q73 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 4Q71 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 4Q72 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 5KF6 - TFB C5 H8 O3 C1C[C@H](O....
7 5KF7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAD; Similar ligands found: 230
No: Ligand ECFP6 Tc MDL keys Tc
1 A3D 0.872727 0.986111
2 NHD 0.821429 0.972222
3 NAP 0.811966 0.986111
4 NFD 0.791304 0.946667
5 NXX 0.765766 0.972603
6 DND 0.765766 0.972603
7 AMP NAD 0.74359 0.972222
8 ZID 0.737705 0.986111
9 NAQ 0.729508 0.934211
10 NAE 0.721311 0.959459
11 NA0 0.712 0.972603
12 TAP 0.704 0.921053
13 NDE 0.689922 0.972603
14 NAJ 0.683333 0.972222
15 NDC 0.679389 0.934211
16 NDO 0.674603 0.958904
17 N01 0.656 0.972222
18 CNA 0.642276 0.972603
19 NBP 0.621212 0.922078
20 8ID 0.609756 0.922078
21 A2D 0.576923 0.958333
22 ADP 0.575472 0.931507
23 NGD 0.574803 0.922078
24 BA3 0.566038 0.958333
25 M33 0.564815 0.918919
26 ADP PO3 0.563636 0.957747
27 B4P 0.560748 0.958333
28 AP5 0.560748 0.958333
29 AN2 0.555556 0.918919
30 AT4 0.555556 0.894737
31 GAP 0.553571 0.932432
32 OOB 0.551724 0.972222
33 CA0 0.550459 0.932432
34 9JJ 0.546053 0.898734
35 HEJ 0.545455 0.931507
36 ACP 0.545455 0.906667
37 ATP 0.545455 0.931507
38 DQV 0.544 0.972222
39 ADP ALF 0.54386 0.883117
40 ALF ADP 0.54386 0.883117
41 DAL AMP 0.543103 0.945205
42 APR 0.540541 0.931507
43 AQP 0.540541 0.931507
44 AR6 0.540541 0.931507
45 5FA 0.540541 0.931507
46 ADP VO4 0.53913 0.945205
47 VO4 ADP 0.53913 0.945205
48 AD9 0.535714 0.906667
49 SAP 0.535714 0.883117
50 AGS 0.535714 0.883117
51 WAQ 0.533333 0.896104
52 ABM 0.53271 0.905405
53 DLL 0.529412 0.972222
54 00A 0.529412 0.921053
55 ACQ 0.526316 0.906667
56 NJP 0.526316 0.959459
57 ANP 0.526316 0.906667
58 OAD 0.525 0.932432
59 ADX 0.522523 0.839506
60 5AL 0.521739 0.945205
61 A1R 0.521008 0.871795
62 9SN 0.520325 0.909091
63 A 0.518868 0.930556
64 AMP 0.518868 0.930556
65 50T 0.517857 0.893333
66 ATF 0.517241 0.894737
67 1ZZ 0.516393 0.851852
68 3OD 0.516393 0.932432
69 SON 0.513514 0.92
70 PRX 0.513274 0.881579
71 6YZ 0.512821 0.906667
72 SRP 0.512821 0.92
73 9X8 0.512397 0.883117
74 ADP BMA 0.512397 0.932432
75 3UK 0.512397 0.958904
76 MYR AMP 0.512195 0.851852
77 NAJ PZO 0.510949 0.909091
78 NMN 0.509434 0.875
79 A3R 0.508333 0.871795
80 B5V 0.508197 0.945946
81 AMP DBH 0.507937 0.906667
82 A22 0.504202 0.945205
83 ATP A A A 0.504 0.971831
84 B5M 0.504 0.933333
85 FA5 0.504 0.945946
86 8QN 0.5 0.945205
87 NAX 0.496183 0.886076
88 TYR AMP 0.496063 0.933333
89 PR8 0.495935 0.8625
90 AMO 0.495868 0.92
91 ADQ 0.495868 0.932432
92 4AD 0.495868 0.933333
93 PAJ 0.495868 0.873418
94 A12 0.495495 0.894737
95 AP2 0.495495 0.894737
96 AHZ 0.492308 0.851852
97 YAP 0.492063 0.933333
98 FYA 0.491935 0.918919
99 AHX 0.491803 0.884615
100 4UU 0.488372 0.933333
101 5SV 0.487603 0.8375
102 TAT 0.487179 0.894737
103 T99 0.487179 0.894737
104 APC 0.486957 0.894737
105 SRA 0.486239 0.881579
106 6V0 0.484848 0.909091
107 NAI 0.484848 0.921053
108 GTA 0.484615 0.898734
109 A A 0.483871 0.958333
110 LAD 0.483871 0.873418
111 AU1 0.482456 0.906667
112 F2R 0.481752 0.831325
113 OMR 0.481203 0.841463
114 TXE 0.481203 0.921053
115 AF3 ADP 3PG 0.481203 0.873418
116 LAQ 0.480916 0.851852
117 G3A 0.48062 0.909091
118 B5Y 0.480315 0.933333
119 NB8 0.48 0.884615
120 TXA 0.48 0.92
121 BIS 0.48 0.871795
122 ME8 0.48 0.851852
123 PTJ 0.48 0.884615
124 139 0.477941 0.886076
125 LPA AMP 0.477273 0.851852
126 AFH 0.476923 0.873418
127 AR6 AR6 0.476923 0.958333
128 G5P 0.476923 0.909091
129 ARG AMP 0.476923 0.841463
130 25L 0.47619 0.945205
131 NAJ PYZ 0.475524 0.864198
132 25A 0.47541 0.958333
133 9ZA 0.47541 0.896104
134 9ZD 0.47541 0.896104
135 DZD 0.47482 0.897436
136 TXD 0.473684 0.921053
137 4UV 0.472868 0.933333
138 TYM 0.470149 0.945946
139 RBY 0.470085 0.894737
140 ADV 0.470085 0.894737
141 4TA 0.467626 0.864198
142 48N 0.466165 0.884615
143 XAH 0.465116 0.851852
144 4UW 0.462687 0.897436
145 M24 0.461538 0.886076
146 80F 0.460993 0.853659
147 IOT 0.459854 0.821429
148 T5A 0.456522 0.853659
149 EAD 0.455782 0.886076
150 MAP 0.455285 0.883117
151 GA7 0.454545 0.894737
152 BT5 0.453901 0.821429
153 A4P 0.452555 0.833333
154 UP5 0.451852 0.933333
155 PAP 0.445378 0.917808
156 4TC 0.445255 0.909091
157 AP0 0.445255 0.884615
158 YLP 0.444444 0.831325
159 P1H 0.443709 0.864198
160 AOC 0.442478 0.810811
161 Z5A 0.439189 0.833333
162 LMS 0.4375 0.817073
163 2A5 0.436975 0.857143
164 A G 0.43662 0.921053
165 G A A A 0.43662 0.909091
166 COD 0.43662 0.802326
167 ADJ 0.435714 0.841463
168 YLB 0.434783 0.831325
169 YLC 0.434783 0.851852
170 U A G G 0.433566 0.921053
171 ATR 0.433333 0.90411
172 7MD 0.432836 0.851852
173 8X1 0.432 0.764045
174 G5A 0.429752 0.790698
175 PO4 PO4 A A A A PO4 0.429688 0.943662
176 TAD 0.42963 0.873418
177 5AS 0.42735 0.770115
178 BTX 0.426573 0.831325
179 YLA 0.425532 0.831325
180 DSZ 0.425197 0.790698
181 NCN 0.424779 0.805556
182 UPA 0.42446 0.921053
183 8PZ 0.424242 0.811765
184 VMS 0.424 0.8
185 54H 0.424 0.8
186 9K8 0.423077 0.744444
187 N0B 0.422819 0.853659
188 6AD 0.422764 0.85
189 AYB 0.422535 0.821429
190 7D3 0.422414 0.844156
191 YLY 0.421769 0.821429
192 TSB 0.420635 0.809524
193 ODP 0.41958 0.922078
194 AV2 0.419355 0.855263
195 FB0 0.419355 0.775281
196 A5A 0.419355 0.819277
197 NNR 0.419048 0.739726
198 A A A 0.418605 0.918919
199 U A 0.417808 0.946667
200 649 0.417266 0.775281
201 NMN AMP PO4 0.416667 0.933333
202 SSA 0.416 0.790698
203 P5A 0.415385 0.755556
204 LSS 0.414062 0.772727
205 A2R 0.412698 0.918919
206 52H 0.412698 0.790698
207 JB6 0.412214 0.896104
208 5N5 0.411215 0.783784
209 YSA 0.410448 0.811765
210 53H 0.409449 0.790698
211 5CA 0.409449 0.790698
212 ITT 0.408333 0.878378
213 7D4 0.408333 0.844156
214 NA7 0.407692 0.894737
215 LEU LMS 0.407692 0.784091
216 5CD 0.407407 0.794521
217 0WD 0.406897 0.909091
218 A3P 0.40678 0.930556
219 HFD 0.406504 0.883117
220 AVV 0.40625 0.860759
221 RAB 0.40566 0.808219
222 XYA 0.40566 0.808219
223 ADN 0.40566 0.808219
224 FDA 0.405063 0.823529
225 GSU 0.40458 0.790698
226 7MC 0.404255 0.831325
227 NSS 0.403101 0.811765
228 6FA 0.402516 0.853659
229 PPS 0.4 0.817073
230 NVA LMS 0.4 0.784091
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: 128
No: Ligand ECFP6 Tc MDL keys Tc
1 FAD 1 1
2 FAS 1 1
3 FAY 0.859259 0.9875
4 RFL 0.852941 0.963855
5 6FA 0.794118 0.987654
6 FAE 0.751773 0.987654
7 SFD 0.651007 0.860215
8 FDA 0.641892 0.906977
9 FNK 0.602564 0.876405
10 62F 0.572327 0.939024
11 F2N 0.566265 0.886364
12 FMN 0.543307 0.876543
13 FA9 0.526316 0.939759
14 6YU 0.516304 0.860215
15 P6G FDA 0.511628 0.908046
16 FAD NBT 0.508876 0.83871
17 A2D 0.504065 0.875
18 P5F 0.491329 0.941176
19 FAD CNX 0.488506 0.8125
20 AR6 0.488372 0.851852
21 APR 0.488372 0.851852
22 AGS 0.484615 0.811765
23 SAP 0.484615 0.811765
24 M33 0.484375 0.864198
25 BA3 0.484127 0.875
26 HEJ 0.48062 0.851852
27 ATP 0.48062 0.851852
28 ADP 0.480315 0.851852
29 B4P 0.480315 0.875
30 AP5 0.480315 0.875
31 ANP 0.477273 0.831325
32 AQP 0.476923 0.851852
33 5FA 0.476923 0.851852
34 48N 0.469388 0.902439
35 OAD 0.467626 0.876543
36 9X8 0.467626 0.833333
37 FAD NBA 0.467033 0.793814
38 GTA 0.465753 0.892857
39 AN2 0.465116 0.841463
40 AT4 0.465116 0.821429
41 AD9 0.462121 0.831325
42 3OD 0.460993 0.876543
43 RBF 0.460938 0.790123
44 FB0 0.460606 0.835165
45 139 0.460526 0.858824
46 AP0 0.46 0.835294
47 A22 0.459854 0.864198
48 ACP 0.458015 0.853659
49 8QN 0.456522 0.864198
50 PRX 0.454545 0.831325
51 A3R 0.453237 0.86747
52 A1R 0.453237 0.86747
53 G3A 0.452055 0.902439
54 T5A 0.45098 0.872093
55 G5P 0.44898 0.902439
56 ATF 0.448529 0.821429
57 50T 0.44697 0.819277
58 6YZ 0.445255 0.853659
59 ACQ 0.444444 0.853659
60 CNV FAD 0.443182 0.917647
61 ADQ 0.442857 0.853659
62 PAJ 0.442857 0.847059
63 5AL 0.441176 0.864198
64 ADX 0.439394 0.775281
65 CA0 0.439394 0.853659
66 A4P 0.437909 0.831461
67 25L 0.4375 0.864198
68 P33 FDA 0.436464 0.817204
69 5SV 0.435714 0.793103
70 OMR 0.434211 0.818182
71 TXE 0.434211 0.890244
72 ABM 0.434109 0.829268
73 A 0.433071 0.82716
74 AMP 0.433071 0.82716
75 4AD 0.432624 0.855422
76 ADJ 0.432258 0.818182
77 B5M 0.431507 0.878049
78 B5Y 0.431507 0.878049
79 BIS 0.430556 0.802326
80 SRA 0.429688 0.788235
81 AFH 0.42953 0.825581
82 NXX 0.427632 0.865854
83 DND 0.427632 0.865854
84 UP5 0.427632 0.878049
85 6V0 0.427632 0.857143
86 TXD 0.427632 0.890244
87 DQV 0.426667 0.8875
88 SRP 0.42446 0.843373
89 PR8 0.423611 0.837209
90 T99 0.423358 0.821429
91 TAT 0.423358 0.821429
92 AMO 0.422535 0.865854
93 TXA 0.42069 0.865854
94 FYA 0.42069 0.864198
95 PTJ 0.42069 0.835294
96 CNA 0.420382 0.865854
97 00A 0.41958 0.823529
98 AHX 0.41958 0.835294
99 MAP 0.41844 0.811765
100 NAI 0.418301 0.845238
101 AU1 0.41791 0.831325
102 A12 0.416667 0.843373
103 AP2 0.416667 0.843373
104 25A 0.415493 0.851852
105 9ZA 0.415493 0.845238
106 9ZD 0.415493 0.845238
107 COD 0.415094 0.842697
108 4TC 0.412903 0.879518
109 APC 0.411765 0.843373
110 ME8 0.410959 0.806818
111 1ZZ 0.410959 0.806818
112 NB8 0.410959 0.835294
113 4UW 0.409091 0.825581
114 NAX 0.409091 0.837209
115 F2R 0.408805 0.850575
116 RBY 0.408759 0.843373
117 ADV 0.408759 0.843373
118 P1H 0.405882 0.818182
119 OOB 0.405594 0.864198
120 LAD 0.40411 0.825581
121 A A 0.40411 0.829268
122 UPA 0.403846 0.86747
123 4UU 0.401316 0.833333
124 GA7 0.401316 0.865854
125 A3D 0.401235 0.876543
126 80F 0.401235 0.808989
127 XAH 0.4 0.806818
128 DLL 0.4 0.864198
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5KF6; Ligand: NAD; Similar sites found with APoc: 142
This union binding pocket(no: 1) in the query (biounit: 5kf6.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 6B79 ORA None
2 4R84 CSF 1.39165
3 1ZGS XMM 1.78971
4 5L2R MLA 1.82119
5 1OFL NGK GCD 1.86235
6 1HYH NAD 1.94175
7 1PDZ PGA 2.07373
8 4R8L ASP 2.07792
9 5AYE BMA BMA 2.08955
10 3QPB R1P 2.12766
11 3QPB URA 2.12766
12 5G48 1FL 2.13904
13 1KYZ SAH 2.19178
14 3LKF PC 2.34114
15 3TY3 GGG 2.45902
16 1VMK GUN 2.52708
17 1KYQ NAD 2.55474
18 1RZU ADP 2.68041
19 1EWK GLU 2.85714
20 5JFL NAD 2.8626
21 5IFK HPA 2.88462
22 6FA4 D1W 2.89017
23 1Z34 2FD 2.97872
24 4TR9 38D 2.98103
25 1KAE NAD 2.99539
26 3QSB 743 3.00546
27 1TVP CBI 3.07167
28 1LSH PLD 3.1348
29 1F9V ADP 3.17003
30 1HPG BOC ALA ALA PRO GLU 3.20856
31 2ZWI C5P 3.21716
32 1IK4 PGH 3.28947
33 2IU8 PLM 3.47594
34 1BGV GLU 3.56347
35 2IZ1 ATR 3.5865
36 2VC9 NOK 3.59147
37 2X1E X1E 3.64146
38 5JE8 NAD 3.64238
39 2NU8 COA 3.81944
40 2Z4T C5P 3.89105
41 1T36 U 3.9267
42 4ZTD ALA GLY ALA GLY ALA 3.95257
43 1WDK NAD 4.10256
44 5T8U LPA 4.16667
45 2JE7 XMM 4.1841
46 1ODJ GMP 4.25532
47 5O5Y GLC 4.31034
48 5KJW 53C 4.44965
49 5E5U MLI 4.54545
50 5LY1 PPI 4.72441
51 1YFS ALA 4.73118
52 5OCG 9R5 4.7619
53 4YUW 4JU 4.93421
54 3PNQ 2HA 5.04202
55 2WLG SOP 5.11628
56 1C5C TK4 5.14019
57 5DBV COA 5.16854
58 2CVZ NDP 5.19031
59 1ZQ9 SAM 5.26316
60 2HIM ASP 5.58659
61 1RJW ETF 5.60472
62 3ZW2 NAG GAL FUC 5.74713
63 4CNK MEU 5.88235
64 6DW2 HD4 5.90717
65 5Y4R C2E 6.2069
66 3EFS BTN 6.43777
67 5UAV NDP 6.52174
68 5UAV TFB 6.52174
69 1OS7 TAU 6.71378
70 3RZ3 U94 7.10383
71 1VHW ADN 7.11462
72 4GN8 ASO 7.35786
73 1UP7 NAD 7.43405
74 1I7M CG 7.46269
75 3RK0 AMP 7.59494
76 1UYY BGC BGC 7.63359
77 3A4T SFG 8.0292
78 2Z48 NGA 8.10185
79 2Z49 AMG 8.10185
80 1T0S BML 8.13953
81 1O9W NAG 8.47458
82 3H0L ADP 8.51064
83 5OCM NAP 8.93471
84 2QJY UQ2 9.66543
85 1FAO 4IP 10.3175
86 3DXY SAM 10.5505
87 1HXD BTN 11.215
88 1TZJ A3B 11.2426
89 1KZL CRM 11.5385
90 2XG5 EC5 11.5607
91 2XG5 EC2 11.5607
92 4XZ3 COA 13.0435
93 1HE1 AF3 13.3333
94 5N53 8NB 13.3333
95 5TVF CGQ 14.1176
96 6GNO XDI 14.8148
97 1L5Y BEF 15.4839
98 2B99 RDL 16.0256
99 5O96 SAM 17.551
100 1EZ0 NAP 19.2157
101 6MVU K4V 20.5997
102 5KY9 GDP 22.5
103 5TWJ SAM 22.8395
104 3IWD M2T 25
105 1V3S ATP 26.7241
106 2Y5D NAP 27.3408
107 5UCD NAP 33.2604
108 4ZUL UN1 33.9181
109 4YWV SSN 35.4839
110 3EFV NAD 36.7965
111 3VZ3 SSN 37.4179
112 3VZ3 NAP 37.4179
113 3IWJ NAD 37.5746
114 4I8P NAD 37.8846
115 4I9B NAD 38.1045
116 4OE4 NAD 38.2759
117 4A0M NAD 38.3064
118 6FK3 PPI 38.4328
119 2QE0 NAP 38.5263
120 4NS3 NAD 38.7211
121 3IWK NAD 38.7674
122 4PXL NAD 39.0716
123 3RHJ NAP 39.4584
124 5X5U NAD 39.604
125 4LH0 GLV 39.6092
126 4I3V NAD 40.1639
127 5N5S NAP 40.5825
128 5L2M 6ZY 41.517
129 5L13 6ZE 41.5861
130 1O9J NAD 41.7166
131 6B5G NAD 41.785
132 6B5G CQY 41.785
133 1KY8 NAP 42.515
134 1T90 NAD 43.0041
135 3JZ4 NAP 43.0353
136 2WME NAP 43.2653
137 2WOX NDP 43.3538
138 2IMP NAI 44.4676
139 2IMP LAC 44.4676
140 2BJK NAD 45.5426
141 5IUW IAC 45.674
142 5IUW NAD 45.674
Pocket No.: 2; Query (leader) PDB : 5KF6; Ligand: TFB; Similar sites found with APoc: 138
This union binding pocket(no: 2) in the query (biounit: 5kf6.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 4AMW 5DI 0.97371
3 1SR9 KIV 1.39752
4 4KCT PYR 1.40281
5 3A23 GAL 1.4658
6 5WAN FMN 1.48883
7 6FCX FAD 1.62602
8 2BP1 FLC 1.66667
9 1ZGS XMM 1.78971
10 5L2R MLA 1.82119
11 3B9O FMN 2.04545
12 1I82 BGC BGC 2.1164
13 5G48 1FL 2.13904
14 1CQ1 PQQ 2.20264
15 2ZID GLC GLC GLC 2.20994
16 3B4Y F42 2.24719
17 3R4S SIA 2.25734
18 2WSI FAD 2.28758
19 3W5N RAM 2.30105
20 2GWH PCI 2.34899
21 3H8V ATP 2.39726
22 5D63 FUC GLA GLA 2.42915
23 2XN2 GLA 2.45902
24 3OBK PBG 2.52809
25 2FCU AKG 2.55591
26 3UG4 AHR 2.57937
27 3APT FAD 2.58065
28 6FNU FAD 2.5974
29 2A9W GA9 2.65152
30 3VWX GSH 2.7027
31 3WV6 GAL BGC 2.7027
32 2J5V RGP 2.7248
33 3NZ1 3NY 3.06513
34 1BW9 NAD 3.08989
35 1ZED PNP 3.09917
36 3B8I OXL 3.13589
37 3JQQ A2P 3.16456
38 4XJ2 FMN 3.19149
39 2YPI PGA 3.23887
40 4MRP GSH 3.25733
41 5CX6 CDP 3.26241
42 4YMJ 4EJ 3.28947
43 4RL4 PPV 3.30189
44 5WS9 OXL 3.36842
45 3HQP OXL 3.40681
46 3HQP FDP 3.40681
47 2O1O RIS 3.53261
48 3ITJ CIT 3.5503
49 1UAS GLA 3.59116
50 1RHC F42 ACN 3.63636
51 2I6A 5I5 3.76812
52 3FGC FMN 3.80567
53 4C01 QY9 3.90071
54 5X3R 7Y3 3.90244
55 5JR6 01B PRO PRO ALA NH2 3.91566
56 1P77 ATR 4.04412
57 3H11 ALA ILE GLU THR ASA 4.04412
58 6HKE MLT 4.08805
59 6HKE LMR 4.08805
60 1M3U KPL 4.16667
61 3UN3 G16 4.26065
62 2AY3 MPP 4.31472
63 5KJW 53C 4.44965
64 1SDW IYT 4.4586
65 4A91 GLU 4.69799
66 2YFO GLA 4.72222
67 2YFO GAL 4.72222
68 5C8W PCG 4.8951
69 2G50 PYR 4.90566
70 4NZF ARB 4.91071
71 5N1Q COM 4.98084
72 3ZVS MLI 5
73 1S9A BEZ 5.05837
74 1FDJ 13P 5.23416
75 1H8P PC 5.50459
76 1AXD GGL CYW GLY 5.74163
77 3NV3 GAL NAG MAN 5.7971
78 3KP6 SAL 5.96026
79 5A07 GDP 5.99078
80 5CC2 CKA 6.03774
81 2VT3 ATP 6.04651
82 3H55 GLA 6.25
83 1S4P GDP 6.32184
84 4F06 PHB 6.469
85 1A78 TDG 6.71642
86 4IP7 FLC 6.814
87 2D6M LBT 6.91824
88 1ZEA DVA DPR GLY DSN DGN DHI DTY DAS DSN 6.94444
89 6CI9 F3V 6.94981
90 4RW3 PLM 7.28477
91 4I9A NCN 7.29167
92 5DG2 GAL GLC 7.40741
93 1VKF CIT 7.44681
94 4OSP 2V4 7.60456
95 2REG CHT 7.71812
96 5H9O GLC 7.95455
97 2J83 BAT 8.01527
98 4PTN GXV 8.16327
99 2AJH MET 8.16327
100 6D61 4AA 8.20513
101 5H9Q TD2 8.3871
102 2CYB TYR 8.66873
103 2YIP YIO 8.69565
104 2X1L ADN 8.77863
105 4BQS ADP 9.09091
106 1SC3 MLI 9.09091
107 2YMZ LAT 9.23077
108 3M3E GAL A2G NPO 9.31677
109 4IJ6 SEP 9.47867
110 1ZPT FAD 9.53947
111 2IUW AKG 9.66387
112 3G5K BB2 9.83607
113 1UJP CIT 9.9631
114 1UMZ BGC BGC XYS BGC XYS GAL 10.0719
115 2BCG GER 10.1942
116 3S5W ONH 10.3672
117 1ONI BEZ 10.8696
118 3EGI ADP 11.165
119 1QPR PPC 11.9718
120 1B4B ARG 12.6761
121 5EPL 5R0 PHE ALA LEU ELY 5R5 13.3333
122 5YZ2 AMP 14.5833
123 5CLO NS8 15.2542
124 2PA7 TYD 17.0213
125 3RET SAL 18.8119
126 5L95 AMP 21.25
127 4M1U A2G MBG 22.8571
128 1UO5 PIH 23.5294
129 2BOS GLA GAL GLC NBU 27.9412
130 3N9P OGA 28.125
131 5W97 CHD 37.5
132 5ZCO PGV 37.5
133 4NMC FAD 44.0796
134 4NMC 2OP 44.0796
135 4H6Q TFB 45.8333
136 4H6Q FAD 45.8333
137 2G37 FAD 46.4832
138 5M42 FMN 46.9534
Pocket No.: 3; Query (leader) PDB : 5KF6; Ligand: FAD; Similar sites found with APoc: 138
This union binding pocket(no: 3) in the query (biounit: 5kf6.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 4AMW 5DI 0.97371
3 1SR9 KIV 1.39752
4 4KCT PYR 1.40281
5 3A23 GAL 1.4658
6 5WAN FMN 1.48883
7 6FCX FAD 1.62602
8 2BP1 FLC 1.66667
9 1ZGS XMM 1.78971
10 5L2R MLA 1.82119
11 3B9O FMN 2.04545
12 1I82 BGC BGC 2.1164
13 5G48 1FL 2.13904
14 1CQ1 PQQ 2.20264
15 2ZID GLC GLC GLC 2.20994
16 3B4Y F42 2.24719
17 3R4S SIA 2.25734
18 2WSI FAD 2.28758
19 3W5N RAM 2.30105
20 2GWH PCI 2.34899
21 3H8V ATP 2.39726
22 5D63 FUC GLA GLA 2.42915
23 2XN2 GLA 2.45902
24 3OBK PBG 2.52809
25 2FCU AKG 2.55591
26 3UG4 AHR 2.57937
27 3APT FAD 2.58065
28 6FNU FAD 2.5974
29 2A9W GA9 2.65152
30 3VWX GSH 2.7027
31 3WV6 GAL BGC 2.7027
32 2J5V RGP 2.7248
33 3NZ1 3NY 3.06513
34 1BW9 NAD 3.08989
35 1ZED PNP 3.09917
36 3B8I OXL 3.13589
37 3JQQ A2P 3.16456
38 4XJ2 FMN 3.19149
39 2YPI PGA 3.23887
40 4MRP GSH 3.25733
41 5CX6 CDP 3.26241
42 4YMJ 4EJ 3.28947
43 4RL4 PPV 3.30189
44 5WS9 OXL 3.36842
45 3HQP OXL 3.40681
46 3HQP FDP 3.40681
47 2O1O RIS 3.53261
48 3ITJ CIT 3.5503
49 1UAS GLA 3.59116
50 1RHC F42 ACN 3.63636
51 2I6A 5I5 3.76812
52 3FGC FMN 3.80567
53 4C01 QY9 3.90071
54 5X3R 7Y3 3.90244
55 5JR6 01B PRO PRO ALA NH2 3.91566
56 1P77 ATR 4.04412
57 3H11 ALA ILE GLU THR ASA 4.04412
58 6HKE MLT 4.08805
59 6HKE LMR 4.08805
60 1M3U KPL 4.16667
61 3UN3 G16 4.26065
62 2AY3 MPP 4.31472
63 5KJW 53C 4.44965
64 1SDW IYT 4.4586
65 4A91 GLU 4.69799
66 2YFO GLA 4.72222
67 2YFO GAL 4.72222
68 5C8W PCG 4.8951
69 2G50 PYR 4.90566
70 4NZF ARB 4.91071
71 5N1Q COM 4.98084
72 3ZVS MLI 5
73 1S9A BEZ 5.05837
74 1FDJ 13P 5.23416
75 1H8P PC 5.50459
76 1AXD GGL CYW GLY 5.74163
77 3NV3 GAL NAG MAN 5.7971
78 3KP6 SAL 5.96026
79 5A07 GDP 5.99078
80 5CC2 CKA 6.03774
81 2VT3 ATP 6.04651
82 3H55 GLA 6.25
83 1S4P GDP 6.32184
84 4F06 PHB 6.469
85 1A78 TDG 6.71642
86 4IP7 FLC 6.814
87 2D6M LBT 6.91824
88 1ZEA DVA DPR GLY DSN DGN DHI DTY DAS DSN 6.94444
89 6CI9 F3V 6.94981
90 4RW3 PLM 7.28477
91 4I9A NCN 7.29167
92 5DG2 GAL GLC 7.40741
93 1VKF CIT 7.44681
94 4OSP 2V4 7.60456
95 2REG CHT 7.71812
96 5H9O GLC 7.95455
97 2J83 BAT 8.01527
98 4PTN GXV 8.16327
99 2AJH MET 8.16327
100 6D61 4AA 8.20513
101 5H9Q TD2 8.3871
102 2CYB TYR 8.66873
103 2YIP YIO 8.69565
104 2X1L ADN 8.77863
105 4BQS ADP 9.09091
106 1SC3 MLI 9.09091
107 2YMZ LAT 9.23077
108 3M3E GAL A2G NPO 9.31677
109 4IJ6 SEP 9.47867
110 1ZPT FAD 9.53947
111 2IUW AKG 9.66387
112 3G5K BB2 9.83607
113 1UJP CIT 9.9631
114 1UMZ BGC BGC XYS BGC XYS GAL 10.0719
115 2BCG GER 10.1942
116 3S5W ONH 10.3672
117 1ONI BEZ 10.8696
118 3EGI ADP 11.165
119 1QPR PPC 11.9718
120 1B4B ARG 12.6761
121 5EPL 5R0 PHE ALA LEU ELY 5R5 13.3333
122 5YZ2 AMP 14.5833
123 5CLO NS8 15.2542
124 2PA7 TYD 17.0213
125 3RET SAL 18.8119
126 5L95 AMP 21.25
127 4M1U A2G MBG 22.8571
128 1UO5 PIH 23.5294
129 2BOS GLA GAL GLC NBU 27.9412
130 3N9P OGA 28.125
131 5W97 CHD 37.5
132 5ZCO PGV 37.5
133 4NMC 2OP 44.0796
134 4NMC FAD 44.0796
135 4H6Q TFB 45.8333
136 4H6Q FAD 45.8333
137 2G37 FAD 46.4832
138 5M42 FMN 46.9534
Pocket No.: 4; Query (leader) PDB : 5KF6; Ligand: FAD; Similar sites found with APoc: 31
This union binding pocket(no: 4) in the query (biounit: 5kf6.bio2) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 3N9O OGA 1.51515
2 6GVD FDK 1.73913
3 5YF9 NIO 1.76991
4 1KTC NGA 2.22222
5 6H8S FSZ 2.32558
6 3ZGJ RMN 2.67206
7 4EKQ NPO 2.6738
8 2ZZV LAC 2.77008
9 4DD8 BAT 2.88462
10 2PEL LAT 2.9661
11 2PEL LBT 2.9661
12 4L9I 8PR 3.37302
13 5ISY NAD 3.861
14 1CT9 AMP 4.33996
15 3G6K FAD 4.87013
16 3G6K POP 4.87013
17 5KZD RCJ 5.11945
18 2HIM ASN 5.58659
19 3EF0 ALF 6.45161
20 4RW3 IPD 7.28477
21 3D1R FBP 8.90208
22 4URG C2E 8.98204
23 5F7J ADE 10.625
24 2CFC KPC 11.6
25 1MRE GDP 14.1553
26 1DCP HBI 14.4231
27 6GNO XDI 14.8148
28 1WS5 MMA 15
29 4QXB OGA 23.5294
30 2BHW XAT 27.5862
31 3N9Q OGA 41.1765
Pocket No.: 5; Query (leader) PDB : 5KF6; Ligand: TFB; Similar sites found with APoc: 10
This union binding pocket(no: 5) in the query (biounit: 5kf6.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 2NVA PL2 2.15054
2 2HU5 GLY PHE 2.74914
3 5THQ NDP 3.30882
4 1U6R ADP 4.73684
5 4R5Z PMP 4.90463
6 1R4W GSH 5.75221
7 3WG6 NDP 5.86319
8 1UWC FER 6.13027
9 5F2K OCA 6.52174
10 5F2K SAH 6.52174
Pocket No.: 6; Query (leader) PDB : 5KF6; Ligand: NAD; Similar sites found with APoc: 22
This union binding pocket(no: 6) in the query (biounit: 5kf6.bio2) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 6E1Q CFA 1.17647
2 2D3Y DU 3.65297
3 5Y8L NAD 4.0678
4 1CT9 AMP 4.33996
5 4TSZ ACE GLN ALC ASP LEU ZCL 4.61957
6 2GMV PEP 4.64
7 1VBO MAN MAN MAN 4.69799
8 1VBO MAN 4.69799
9 3MWL 8OX 4.83092
10 1O8B ABF 5.02283
11 5FUI APY 5.30303
12 4GLW NMN 5.50607
13 2HIM ASN 5.58659
14 3G6N MET ALA SER 5.75916
15 2VT3 ATP 6.04651
16 4LOC OXM 7.43671
17 1SQF SAM 7.45921
18 3CBC DBS 7.57576
19 6AM8 TRP 7.57576
20 5LWY OLA 8.41121
21 2YN4 39J 11.4407
22 1LK7 DER 15.2838
Pocket No.: 7; Query (leader) PDB : 5KF6; Ligand: FAD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 5KF6; Ligand: NAD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 5KF6; Ligand: TFB; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 5KF6; Ligand: FAD; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 5KF6; Ligand: TFB; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 5KF6; Ligand: NAD; Similar sites found with APoc: 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 Sequence Similarity
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