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Receptor
PDB id Resolution Class Description Source Keywords
4YSW 1.99 Å EC: 1.17.-.- STRUCTURE OF RAT XANTHINE OXIDOREDUCTASE, C-TERMINAL DELETIO VARIANT, NADH BOUND FORM RATTUS NORVEGICUS XANTHINE OXIDASE XANTHINE DEHYDROGENASE OXIDOREDUCTASE DCONVERSION
Ref.: THE C-TERMINAL PEPTIDE PLAYS A ROLE IN THE FORMATIO INTERMEDIATE FORM DURING THE TRANSITION BETWEEN XAN DEHYDROGENASE AND XANTHINE OXIDASE. FEBS J. V. 282 3075 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:4003;
A:3003;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
FES A:3001;
B:4002;
A:3002;
B:4001;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
175.82 Fe2 S2 S1[Fe...
BCT B:4006;
A:3006;
Invalid;
Invalid;
none;
none;
submit data
61.017 C H O3 C(=O)...
NAI B:4005;
A:3005;
Valid;
Valid;
none;
none;
submit data
665.441 C21 H29 N7 O14 P2 c1nc(...
GOL A:3008;
B:4008;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
FAD A:3004;
B:4004;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
URC A:3007;
B:4007;
Valid;
Valid;
none;
none;
submit data
168.11 C5 H4 N4 O3 C12=C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4YSW 1.99 Å EC: 1.17.-.- STRUCTURE OF RAT XANTHINE OXIDOREDUCTASE, C-TERMINAL DELETIO VARIANT, NADH BOUND FORM RATTUS NORVEGICUS XANTHINE OXIDASE XANTHINE DEHYDROGENASE OXIDOREDUCTASE DCONVERSION
Ref.: THE C-TERMINAL PEPTIDE PLAYS A ROLE IN THE FORMATIO INTERMEDIATE FORM DURING THE TRANSITION BETWEEN XAN DEHYDROGENASE AND XANTHINE OXIDASE. FEBS J. V. 282 3075 2015
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3AN1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 4YRW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 4YTZ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 4YTY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 4YSW - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
6 2E3T - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1V97 Kd = 5.3 nM 20161_20162_20163_20164_ FYX n/a n/a
2 3BDJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 3UNC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 1FO4 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 3UNA - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 3AX9 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 1VDV - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 3AX7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 3AMZ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 3AM9 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
11 3UNI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
12 3AN1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 4YRW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 4YTZ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
15 4YTY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
16 4YSW - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 2E3T - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1V97 Kd = 5.3 nM 20161_20162_20163_20164_ FYX n/a n/a
2 3BDJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 3UNC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 1FO4 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 3UNA - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
6 3AX9 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 1VDV - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
8 3AX7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 3AMZ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 3AM9 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
11 3UNI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
12 3AN1 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 4YRW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 4YTZ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
15 4YTY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
16 4YSW - NAI C21 H29 N7 O14 P2 c1nc(c2c(n....
17 2E3T - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NAI; Similar ligands found: 262
No: Ligand ECFP6 Tc MDL keys Tc
1 NAI 1 1
2 0WD 0.814815 0.986842
3 NDP 0.803738 0.986842
4 AP0 0.743119 0.961039
5 NMN AMP PO4 0.704348 0.960526
6 NAX 0.663717 0.961538
7 A2D 0.659574 0.933333
8 80F 0.65 0.925926
9 6V0 0.649123 0.986842
10 TXE 0.62931 0.948052
11 BA3 0.628866 0.933333
12 AP5 0.622449 0.933333
13 B4P 0.622449 0.933333
14 TXD 0.62069 0.923077
15 AR6 0.613861 0.907895
16 APR 0.613861 0.907895
17 EAD 0.609375 0.961538
18 SAP 0.607843 0.8625
19 AGS 0.607843 0.8625
20 ADP 0.606061 0.907895
21 HEJ 0.60396 0.907895
22 50T 0.60396 0.871795
23 ATP 0.60396 0.907895
24 AN2 0.6 0.896104
25 AT4 0.6 0.873418
26 A22 0.598131 0.921053
27 AQP 0.598039 0.907895
28 5FA 0.598039 0.907895
29 M33 0.594059 0.896104
30 CA0 0.594059 0.909091
31 AD9 0.592233 0.884615
32 NAJ PZO 0.592 0.935897
33 P1H 0.590909 0.9375
34 ACP 0.588235 0.884615
35 4AD 0.587156 0.886076
36 A1R 0.587156 0.851852
37 PRX 0.582524 0.8375
38 ANP 0.580952 0.884615
39 3OD 0.580357 0.909091
40 SRP 0.579439 0.873418
41 ADX 0.578431 0.821429
42 OAD 0.576577 0.909091
43 5AL 0.575472 0.896104
44 NAJ PYZ 0.573643 0.890244
45 A3R 0.572727 0.851852
46 ADJ 0.569106 0.890244
47 UP5 0.566667 0.960526
48 ACQ 0.566038 0.884615
49 9X8 0.5625 0.8625
50 A 0.561224 0.881579
51 AMP 0.561224 0.881579
52 ATF 0.555556 0.873418
53 6YZ 0.550459 0.884615
54 8QN 0.54955 0.896104
55 25L 0.547826 0.921053
56 4TC 0.544715 0.935897
57 AMO 0.544643 0.897436
58 PAJ 0.544643 0.853659
59 ADQ 0.544643 0.909091
60 ABM 0.544554 0.858974
61 NPW 0.544 0.949367
62 WAQ 0.54386 0.851852
63 LAD 0.54386 0.831325
64 PR8 0.54386 0.821429
65 DQV 0.541667 0.946667
66 DG1 0.541353 0.986842
67 1DG 0.541353 0.986842
68 00A 0.539823 0.875
69 NZQ 0.539683 0.974026
70 BIS 0.53913 0.851852
71 1ZZ 0.53913 0.811765
72 APC 0.537736 0.873418
73 OMR 0.536585 0.823529
74 OOB 0.535714 0.921053
75 25A 0.535714 0.907895
76 5SV 0.535714 0.797619
77 3UK 0.535088 0.909091
78 A12 0.533981 0.873418
79 AP2 0.533981 0.873418
80 B5V 0.530435 0.897436
81 DND 0.528455 0.922078
82 NXX 0.528455 0.922078
83 CNA 0.527559 0.922078
84 DLL 0.526316 0.921053
85 AHX 0.526316 0.864198
86 PTJ 0.525862 0.841463
87 ME8 0.525862 0.811765
88 FYA 0.525862 0.871795
89 NB8 0.525862 0.864198
90 B5M 0.525424 0.886076
91 YAP 0.525424 0.886076
92 SRA 0.524752 0.8375
93 SON 0.52381 0.873418
94 TAT 0.522936 0.873418
95 T99 0.522936 0.873418
96 ADP VO4 0.522523 0.871795
97 VO4 ADP 0.522523 0.871795
98 48N 0.520325 0.864198
99 YLP 0.520325 0.793103
100 YLB 0.52 0.793103
101 AU1 0.518868 0.884615
102 ADP PO3 0.518519 0.881579
103 9SN 0.516949 0.864198
104 DAL AMP 0.513274 0.871795
105 TXA 0.512821 0.897436
106 B5Y 0.512605 0.886076
107 FA5 0.512605 0.897436
108 GAP 0.509091 0.860759
109 9ZA 0.508772 0.851852
110 9ZD 0.508772 0.851852
111 4UU 0.508197 0.960526
112 YLC 0.507937 0.833333
113 T5A 0.507812 0.925926
114 RBY 0.504587 0.873418
115 ADV 0.504587 0.873418
116 TYR AMP 0.504132 0.8625
117 4UW 0.504 0.924051
118 TXP 0.503876 0.911392
119 ALF ADP 0.5 0.817073
120 G3A 0.5 0.8875
121 F2R 0.5 0.813953
122 TYM 0.5 0.897436
123 ADP ALF 0.5 0.817073
124 LAQ 0.5 0.811765
125 COD 0.496183 0.786517
126 139 0.496124 0.9125
127 YLA 0.496124 0.813953
128 G5P 0.495935 0.8875
129 AFH 0.495935 0.853659
130 XAH 0.495868 0.811765
131 BT5 0.492424 0.784091
132 AYB 0.492308 0.784091
133 A4P 0.492188 0.880952
134 GTA 0.491935 0.855422
135 4UV 0.491803 0.960526
136 A2R 0.491228 0.896104
137 MAP 0.486957 0.8625
138 NAD 0.484848 0.921053
139 XNP 0.484848 0.936709
140 UPA 0.484375 0.948052
141 7MD 0.483871 0.833333
142 ARG AMP 0.483871 0.781609
143 MYR AMP 0.483333 0.790698
144 NA7 0.483051 0.873418
145 YLY 0.477941 0.784091
146 ATR 0.477477 0.881579
147 AOC 0.47619 0.792208
148 ATP A A A 0.47541 0.894737
149 BTX 0.473684 0.793103
150 5AS 0.472222 0.736264
151 GA7 0.472 0.873418
152 LMS 0.471154 0.77907
153 NAQ 0.471014 0.864198
154 ADP BMA 0.470588 0.884615
155 N0B 0.467626 0.835294
156 A A 0.466667 0.883117
157 A3D 0.466667 0.909091
158 NJP 0.466165 0.910256
159 IOT 0.465649 0.784091
160 AF3 ADP 3PG 0.465116 0.809524
161 PAP 0.464286 0.894737
162 NAE 0.463768 0.886076
163 7MC 0.461538 0.813953
164 DZD 0.459259 0.876543
165 ZID 0.457143 0.909091
166 TAD 0.456693 0.853659
167 2A5 0.455357 0.8375
168 62F 0.453947 0.833333
169 AHZ 0.453125 0.790698
170 FB0 0.452055 0.76087
171 JB6 0.45082 0.851852
172 ITT 0.45045 0.857143
173 7D4 0.45045 0.825
174 LPA AMP 0.449612 0.790698
175 G5A 0.447368 0.755556
176 LEU LMS 0.446281 0.731183
177 M24 0.446043 0.843373
178 AVV 0.445378 0.841463
179 NDC 0.442177 0.864198
180 NSS 0.441667 0.775281
181 4TA 0.441176 0.890244
182 VMS 0.440678 0.764045
183 54H 0.440678 0.764045
184 7D3 0.440367 0.825
185 5CD 0.44 0.753247
186 PPS 0.439655 0.8
187 XYA 0.438776 0.789474
188 ADN 0.438776 0.789474
189 RAB 0.438776 0.789474
190 NDE 0.438356 0.897436
191 NVA LMS 0.438017 0.731183
192 AR6 AR6 0.4375 0.883117
193 TSB 0.436975 0.793103
194 53H 0.436975 0.755556
195 8X1 0.436975 0.731183
196 DTA 0.436893 0.759494
197 A2P 0.436364 0.868421
198 A3P 0.436364 0.881579
199 A5A 0.435897 0.781609
200 FNK 0.435065 0.840909
201 HFD 0.434783 0.8625
202 ODP 0.433824 0.924051
203 SFG 0.433628 0.725
204 Z5A 0.433566 0.858824
205 6FA 0.433333 0.835294
206 SSA 0.432203 0.775281
207 J7C 0.431193 0.702381
208 DTP 0.431034 0.825
209 P5A 0.430894 0.723404
210 AMP NAD 0.430657 0.896104
211 5N5 0.43 0.766234
212 DSZ 0.429752 0.775281
213 LSS 0.429752 0.73913
214 52H 0.428571 0.755556
215 SFD 0.427632 0.731959
216 9K8 0.427419 0.712766
217 6AD 0.42735 0.831325
218 EP4 0.427184 0.707317
219 FDA 0.426667 0.870588
220 ARU 0.42623 0.788235
221 6RE 0.425926 0.694118
222 A4D 0.425743 0.766234
223 5CA 0.425 0.775281
224 3DH 0.424528 0.725
225 AV2 0.423729 0.835443
226 AMP DBH 0.421875 0.860759
227 U A 0.421429 0.923077
228 DAT 0.421053 0.825
229 5X8 0.421053 0.7375
230 GSU 0.419355 0.755556
231 MTA 0.419048 0.725
232 3AT 0.418803 0.883117
233 ETB 0.41844 0.786517
234 DCA 0.41844 0.777778
235 FAD 0.418301 0.845238
236 FAS 0.418301 0.845238
237 A3N 0.418182 0.759494
238 F2N 0.417178 0.850575
239 7D5 0.415094 0.8
240 A U 0.414815 0.910256
241 YSA 0.414062 0.775281
242 0T1 0.412587 0.777778
243 A C A C 0.411348 0.8875
244 2AM 0.411215 0.857143
245 9JJ 0.409938 0.855422
246 M2T 0.409524 0.690476
247 KAA 0.408 0.731183
248 7C5 0.407692 0.790123
249 3AM 0.407407 0.844156
250 NAP 0.406897 0.909091
251 8PZ 0.40625 0.795455
252 PUA 0.405594 0.9
253 FAY 0.405063 0.855422
254 P5F 0.404908 0.83908
255 EEM 0.403361 0.670455
256 COA 0.402778 0.777778
257 RFL 0.402516 0.816092
258 GJV 0.401786 0.686047
259 SA8 0.401709 0.686047
260 U A C C 0.401408 0.898734
261 WSA 0.4 0.784091
262 G A A A 0.4 0.841463
Ligand no: 2; 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
Ligand no: 3; Ligand: URC; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 URC 1 1
2 8TX 0.575758 0.882353
3 5JQ 0.542857 0.862745
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4YSW; Ligand: FAD; Similar sites found with APoc: 97
This union binding pocket(no: 1) in the query (biounit: 4ysw.bio1) has 56 residues
No: Leader PDB Ligand Sequence Similarity
1 5JBE MAL 1.05386
2 5AE2 FAD 1.51976
3 5AE2 FYC 1.51976
4 2I0K FAD 1.60428
5 3MBC NAP 1.673
6 2UUU FAD 2.12928
7 2UUU PL3 2.12928
8 3MBI HSX 2.43902
9 5H4S RAM 2.46479
10 1XTT U5P 2.77778
11 3B6O TMP 2.83401
12 4A8T PAO 2.94985
13 1QB7 ADE 2.9661
14 2ZTG A5A 2.977
15 1F0X FAD 2.97723
16 5CX6 CDP 2.97872
17 2Q4W FAD 3.05344
18 6HQD SRT 3.09524
19 3VOZ 04A 3.1746
20 1SW0 PGA 3.22581
21 2YPI PGA 3.23887
22 4USI AKG 3.24675
23 2GQT FAD 3.35821
24 2YRX AMP 3.54767
25 4GLW NMN 3.60656
26 1O5O U5P 3.61991
27 2JKY 5GP 3.75587
28 5NM7 GLY 3.7594
29 1L1Q 9DA 3.76344
30 6BK3 UDP 3.85439
31 1HSK FAD 3.98773
32 4JZ8 CIT 4.10095
33 1NLM UD1 4.12088
34 4XFR CIT 4.21546
35 4WEI GLC GAL 4.33213
36 4BQS K2Q 4.54545
37 3DUV KDO 4.58015
38 4JLS 3ZE 4.60526
39 4AUT FAD 4.70085
40 1Q8Q MAN MMA 4.7619
41 1Q8S MAN MMA 4.7619
42 1HK8 DGT 4.79339
43 4P86 5GP 4.91803
44 3W2W ATP 4.96894
45 3ACC 5GP 4.97238
46 5IFS ADP 5.06329
47 3LCC SAH 5.10638
48 6CEN ACE GLY VAL NLE ARG ILE NH2 5.26316
49 4YEE 4CQ 5.55556
50 1JS8 MAN MAN BMA 5.58376
51 3OZG SSI 5.6
52 3VPD CIT 5.69395
53 3VPD BUA 5.69395
54 4RHY 3QG 5.97015
55 3QCJ NX4 6.12903
56 2MBR FAD 6.17647
57 2MBR EPU 6.17647
58 3P13 RIP 6.25
59 1XPJ TLA 6.34921
60 6APV 3L4 6.48148
61 1UPF URF 6.69643
62 4JB1 FAD 6.76471
63 4JB1 NAP 6.76471
64 3QH2 3NM 6.78733
65 1PVC ILE SER GLU VAL 7.35294
66 3HQP OXL 7.41483
67 5VJN IR8 7.48663
68 2OKL BB2 7.56757
69 3K8D KDO 7.57576
70 4P83 U5P 7.69231
71 3GD8 GOL 8.07175
72 2ZKJ ADP 8.12183
73 2ACV UDP 8.20734
74 6C0B MLI 8.33333
75 3QDY CBS 8.39161
76 3QDX CBS 8.39161
77 3QDW NDG 8.39161
78 3QDV NDG 8.39161
79 2JBH 5GP 8.88889
80 1HGX 5GP 9.83607
81 1D1Q 4NP 9.93789
82 1PZM 5GP 9.95261
83 1QK3 5GP 10.3004
84 3VX3 ADP 10.4839
85 1SQL GUN 11.6438
86 6AR9 3L4 11.7647
87 1LNX URI 12.3457
88 1DQN IMU 13.0435
89 1P19 IMP 13.5747
90 4KYK IMN 13.587
91 5E5U MLI 14.0704
92 2PS1 ORO 17.2566
93 3HRD FAD 42.7273
94 5G5G FAD 43.306
95 1T3Q FAD 47.0238
96 5Y6Q FAD 48.1481
97 1N62 FAD 49.3976
Pocket No.: 2; Query (leader) PDB : 4YSW; Ligand: FAD; Similar sites found with APoc: 30
This union binding pocket(no: 2) in the query (biounit: 4ysw.bio1) has 56 residues
No: Leader PDB Ligand Sequence Similarity
1 3TAO PGH 1.87266
2 2X1L ADN 2.48092
3 2IYA UDP 3.53774
4 1Y7P RIP 3.58744
5 3ZM6 2GN 3.87097
6 4DXJ IPE 4.69613
7 1Q8P MAN MMA 4.7619
8 1OFZ FUL 4.80769
9 3BU5 ATP 4.90196
10 4O6M C5P 5.91398
11 4XDY HIO 5.91716
12 4JCA CIT 5.98802
13 5EJL C2E 6.45161
14 5VLC HSO 6.72646
15 2R42 FPS 6.83544
16 5CB8 ADX 7.61421
17 3CM2 X23 7.69231
18 1H5R THM 8.87372
19 1H5T TYD 8.87372
20 6BTN E8M 8.91089
21 3S2U UD1 9.58904
22 4I9A NCN 10.0694
23 3KYG 5GP 5GP 10.1322
24 5G48 1FL 12.8342
25 5BSH PRO 13.7184
26 4R38 RBF 16.4286
27 3IP8 B85 17.7419
28 2GJ5 VD3 18.5185
29 4RT1 C2E 23.2143
30 1B4B ARG 26.7606
Pocket No.: 3; Query (leader) PDB : 4YSW; Ligand: NAI; Similar sites found with APoc: 109
This union binding pocket(no: 3) in the query (biounit: 4ysw.bio1) has 56 residues
No: Leader PDB Ligand Sequence Similarity
1 5JBE MAL 1.05386
2 5AE2 FAD 1.51976
3 5AE2 FYC 1.51976
4 2I0K FAD 1.60428
5 3MBC NAP 1.673
6 3TAO PGH 1.87266
7 2UUU FAD 2.12928
8 2UUU PL3 2.12928
9 3MBI HSX 2.43902
10 5H4S RAM 2.46479
11 2X1L ADN 2.48092
12 1XTT U5P 2.77778
13 3B6O TMP 2.83401
14 1QB7 ADE 2.9661
15 2ZTG A5A 2.977
16 1F0X FAD 2.97723
17 5CX6 CDP 2.97872
18 2Q4W FAD 3.05344
19 1SW0 PGA 3.22581
20 4USI AKG 3.24675
21 2GQT FAD 3.35821
22 2IYA UDP 3.53774
23 1Y7P RIP 3.58744
24 1O5O U5P 3.61991
25 2JKY 5GP 3.75587
26 5NM7 GLY 3.7594
27 1L1Q 9DA 3.76344
28 6BK3 UDP 3.85439
29 3ZM6 2GN 3.87097
30 1HSK FAD 3.98773
31 4JZ8 CIT 4.10095
32 1NLM UD1 4.12088
33 4WEI GLC GAL 4.33213
34 4BQS K2Q 4.54545
35 3DUV KDO 4.58015
36 4JLS 3ZE 4.60526
37 4DXJ IPE 4.69613
38 4AUT FAD 4.70085
39 1Q8P MAN MMA 4.7619
40 1OFZ FUL 4.80769
41 3BU5 ATP 4.90196
42 4P86 5GP 4.91803
43 3W2W ATP 4.96894
44 3ACC 5GP 4.97238
45 6CEN ACE GLY VAL NLE ARG ILE NH2 5.26316
46 4YEE 4CQ 5.55556
47 1JS8 MAN MAN BMA 5.58376
48 3OZG SSI 5.6
49 3VPD BUA 5.69395
50 4O6M C5P 5.91398
51 4XDY HIO 5.91716
52 4RHY 3QG 5.97015
53 4JCA CIT 5.98802
54 3QCJ NX4 6.12903
55 2MBR FAD 6.17647
56 2MBR EPU 6.17647
57 1XPJ TLA 6.34921
58 5EJL C2E 6.45161
59 6APV 3L4 6.48148
60 1UPF URF 6.69643
61 5VLC HSO 6.72646
62 4JB1 NAP 6.76471
63 4JB1 FAD 6.76471
64 3QH2 3NM 6.78733
65 2R42 FPS 6.83544
66 1PVC ILE SER GLU VAL 7.35294
67 3HQP OXL 7.41483
68 5VJN IR8 7.48663
69 2OKL BB2 7.56757
70 3K8D KDO 7.57576
71 5CB8 ADX 7.61421
72 4P83 U5P 7.69231
73 3CM2 X23 7.69231
74 3GD8 GOL 8.07175
75 2ZKJ ADP 8.12183
76 2ACV UDP 8.20734
77 6C0B MLI 8.33333
78 3QDY CBS 8.39161
79 3QDW NDG 8.39161
80 1H5R THM 8.87372
81 1H5T TYD 8.87372
82 2JBH 5GP 8.88889
83 6BTN E8M 8.91089
84 3S2U UD1 9.58904
85 1HGX 5GP 9.83607
86 1D1Q 4NP 9.93789
87 1PZM 5GP 9.95261
88 4I9A NCN 10.0694
89 3KYG 5GP 5GP 10.1322
90 1QK3 5GP 10.3004
91 1SQL GUN 11.6438
92 6AR9 3L4 11.7647
93 5G48 1FL 12.8342
94 1DQN IMU 13.0435
95 1P19 IMP 13.5747
96 4KYK IMN 13.587
97 5BSH PRO 13.7184
98 5E5U MLI 14.0704
99 4R38 RBF 16.4286
100 2PS1 ORO 17.2566
101 3IP8 B85 17.7419
102 2GJ5 VD3 18.5185
103 4RT1 C2E 23.2143
104 1B4B ARG 26.7606
105 3HRD FAD 42.7273
106 5G5G FAD 43.306
107 1T3Q FAD 47.0238
108 5Y6Q FAD 48.1481
109 1N62 FAD 49.3976
Pocket No.: 4; Query (leader) PDB : 4YSW; Ligand: URC; Similar sites found with APoc: 28
This union binding pocket(no: 4) in the query (biounit: 4ysw.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1EU1 MGD 1.66667
2 2V5X V5X 2.31959
3 1JG3 ADN 2.55319
4 2FLI DX5 3.18182
5 5KOK S9T 3.27456
6 1QMG APX 3.43511
7 6FLZ MMA 3.47222
8 4D9M 0JO 3.76884
9 3WCA FPS 3.83562
10 3KRB NAP 3.89222
11 3ZEI AWH 4.19355
12 5WS9 AMP 4.21053
13 5VYR B62 4.21456
14 5VYR GMP 4.21456
15 6BXI ANP 4.5045
16 1OPK P16 4.64646
17 2I4I AMP 4.79616
18 5J60 FAD 5.625
19 3A1C ACP 5.92335
20 2BKK ADP 6.81818
21 1TV5 FMN 6.99774
22 3DVA TPW 8
23 5DM1 SAH 9.3633
24 6GAS FAD 10.2719
25 4TM3 FAD 11.7381
26 5M45 AMP 12.5
27 1TT8 PHB 13.4146
28 3FC4 EDO 38.0375
Pocket No.: 5; Query (leader) PDB : 4YSW; Ligand: URC; Similar sites found with APoc: 8
This union binding pocket(no: 5) in the query (biounit: 4ysw.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3IAE D7K 1.92982
2 6ECT SAM 4.98442
3 2PT9 S4M 4.98442
4 1AFS NAP 6.50155
5 5OGX FAD 8.03571
6 6C7Y ADP 8.54701
7 3ZW2 NAG GAL FUC 9.1954
8 3HGM ATP 9.52381
Pocket No.: 6; Query (leader) PDB : 4YSW; Ligand: NAI; Similar sites found with APoc: 18
This union binding pocket(no: 6) in the query (biounit: 4ysw.bio1) has 56 residues
No: Leader PDB Ligand Sequence Similarity
1 4A8T PAO 2.94985
2 6HQD SRT 3.09524
3 3VOZ 04A 3.1746
4 2YPI PGA 3.23887
5 2YRX AMP 3.54767
6 4GLW NMN 3.60656
7 4XFR CIT 4.21546
8 1Q8Q MAN MMA 4.7619
9 1Q8S MAN MMA 4.7619
10 1HK8 DGT 4.79339
11 5IFS ADP 5.06329
12 3LCC SAH 5.10638
13 3VPD CIT 5.69395
14 3P13 RIP 6.25
15 3QDX CBS 8.39161
16 3QDV NDG 8.39161
17 3VX3 ADP 10.4839
18 1LNX URI 12.3457
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