Receptor
PDB id Resolution Class Description Source Keywords
4YTY 2.2 Å EC: 1.17.-.- STRUCTURE OF RAT XANTHINE OXIDOREDUCTASE, C535A/C992R/C1324S BOUND FORM RATTUS NORVEGICUS XANTHINE OXIDOREDUCTASE XANTHINE OXIDASE XANTHINE DEHYDROGD/O CONVERSION OXIDOREDUCTASE
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...
GOL A:3008;
A:3009;
B:4008;
B:4007;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
BCT B:4005;
A:3006;
Invalid;
Invalid;
none;
none;
submit data
61.017 C H O3 C(=O)...
FAD A:3004;
B:4004;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
NAI B:4006;
A:3007;
Valid;
Valid;
none;
none;
submit data
665.441 C21 H29 N7 O14 P2 c1nc(...
URC A:3005;
Valid;
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: 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
Ligand no: 2; Ligand: NAI; Similar ligands found: 249
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 6V0 0.649123 0.986842
9 TXE 0.62931 0.948052
10 BA3 0.628866 0.933333
11 AP5 0.622449 0.933333
12 B4P 0.622449 0.933333
13 TXD 0.62069 0.923077
14 APR 0.613861 0.907895
15 AR6 0.613861 0.907895
16 EAD 0.609375 0.961538
17 AGS 0.607843 0.8625
18 SAP 0.607843 0.8625
19 ADP 0.606061 0.907895
20 ATP 0.60396 0.907895
21 50T 0.60396 0.871795
22 AN2 0.6 0.896104
23 A22 0.598131 0.921053
24 5FA 0.598039 0.907895
25 AQP 0.598039 0.907895
26 CA0 0.594059 0.909091
27 M33 0.594059 0.896104
28 AD9 0.592233 0.884615
29 NAJ PZO 0.592 0.935897
30 P1H 0.590909 0.9375
31 ACP 0.588235 0.884615
32 A1R 0.587156 0.851852
33 4AD 0.587156 0.886076
34 PRX 0.582524 0.8375
35 ANP 0.580952 0.884615
36 3OD 0.580357 0.909091
37 SRP 0.579439 0.873418
38 ADX 0.578431 0.821429
39 OAD 0.576577 0.909091
40 5AL 0.575472 0.896104
41 ADJ 0.569106 0.890244
42 UP5 0.566667 0.960526
43 ACQ 0.566038 0.884615
44 AMP 0.561224 0.881579
45 A 0.561224 0.881579
46 ATF 0.555556 0.873418
47 8QN 0.54955 0.896104
48 25L 0.547826 0.921053
49 4TC 0.544715 0.935897
50 ADQ 0.544643 0.909091
51 PAJ 0.544643 0.853659
52 AMO 0.544643 0.897436
53 ABM 0.544554 0.858974
54 NPW 0.544 0.949367
55 WAQ 0.54386 0.851852
56 PR8 0.54386 0.821429
57 LAD 0.54386 0.831325
58 DG1 0.541353 0.986842
59 1DG 0.541353 0.986842
60 00A 0.539823 0.875
61 NZQ 0.539683 0.974026
62 1ZZ 0.53913 0.811765
63 BIS 0.53913 0.851852
64 APC 0.537736 0.873418
65 OMR 0.536585 0.823529
66 5SV 0.535714 0.797619
67 OOB 0.535714 0.921053
68 25A 0.535714 0.907895
69 3UK 0.535088 0.909091
70 AMP MG 0.534653 0.835443
71 AP2 0.533981 0.873418
72 A12 0.533981 0.873418
73 NXX 0.528455 0.922078
74 DND 0.528455 0.922078
75 CNA 0.527559 0.922078
76 AHX 0.526316 0.864198
77 DLL 0.526316 0.921053
78 FYA 0.525862 0.871795
79 NB8 0.525862 0.864198
80 ME8 0.525862 0.811765
81 PTJ 0.525862 0.841463
82 YAP 0.525424 0.886076
83 SRA 0.524752 0.8375
84 SON 0.52381 0.873418
85 TAT 0.522936 0.873418
86 VO4 ADP 0.522523 0.871795
87 ADP VO4 0.522523 0.871795
88 48N 0.520325 0.864198
89 YLP 0.520325 0.793103
90 YLB 0.52 0.793103
91 AU1 0.518868 0.884615
92 ADP MG 0.518868 0.848101
93 ADP PO3 0.518519 0.881579
94 9SN 0.516949 0.864198
95 BEF ADP 0.514019 0.82716
96 ADP BEF 0.514019 0.82716
97 ATP MG 0.513761 0.848101
98 TXA 0.512821 0.897436
99 FA5 0.512605 0.897436
100 GAP 0.509091 0.860759
101 4UU 0.508197 0.960526
102 YLC 0.507937 0.833333
103 T5A 0.507812 0.925926
104 RBY 0.504587 0.873418
105 ADV 0.504587 0.873418
106 4UW 0.504 0.924051
107 TXP 0.503876 0.911392
108 DAL AMP 0.5 0.871795
109 ALF ADP 0.5 0.817073
110 G3A 0.5 0.8875
111 TYM 0.5 0.897436
112 ADP ALF 0.5 0.817073
113 LAQ 0.5 0.811765
114 COD 0.496183 0.786517
115 YLA 0.496124 0.813953
116 139 0.496124 0.9125
117 AFH 0.495935 0.853659
118 G5P 0.495935 0.8875
119 XAH 0.495868 0.811765
120 ANP MG 0.495575 0.839506
121 BT5 0.492424 0.784091
122 AYB 0.492308 0.784091
123 A4P 0.492188 0.880952
124 GTA 0.491935 0.855422
125 4UV 0.491803 0.960526
126 A2R 0.491228 0.896104
127 MAP 0.486957 0.8625
128 XNP 0.484848 0.936709
129 NAD 0.484848 0.921053
130 UPA 0.484375 0.948052
131 7MD 0.483871 0.833333
132 MYR AMP 0.483333 0.790698
133 NA7 0.483051 0.873418
134 YLY 0.477941 0.784091
135 ATR 0.477477 0.881579
136 LA8 ALF 3PG 0.476562 0.809524
137 ALF ADP 3PG 0.476562 0.809524
138 AOC 0.47619 0.792208
139 ATP A A A 0.47541 0.894737
140 BTX 0.473684 0.793103
141 5AS 0.472222 0.736264
142 TYR AMP 0.471545 0.873418
143 NAQ 0.471014 0.864198
144 ADP BMA 0.470588 0.884615
145 N0B 0.467626 0.835294
146 A A 0.466667 0.883117
147 A3D 0.466667 0.909091
148 NJP 0.466165 0.910256
149 IOT 0.465649 0.784091
150 AF3 ADP 3PG 0.465116 0.809524
151 PAP 0.464286 0.894737
152 NAE 0.463768 0.886076
153 7MC 0.461538 0.813953
154 DZD 0.459259 0.876543
155 ZID 0.457143 0.909091
156 TAD 0.456693 0.853659
157 2A5 0.455357 0.8375
158 62F 0.453947 0.833333
159 AHZ 0.453125 0.790698
160 FB0 0.452055 0.76087
161 JB6 0.45082 0.851852
162 ITT 0.45045 0.857143
163 7D4 0.45045 0.825
164 LPA AMP 0.449612 0.790698
165 G5A 0.447368 0.755556
166 M24 0.446043 0.843373
167 AVV 0.445378 0.841463
168 NAD IBO 0.444444 0.8625
169 NDC 0.442177 0.864198
170 ARG AMP 0.44186 0.781609
171 NSS 0.441667 0.775281
172 4TA 0.441176 0.890244
173 VMS 0.440678 0.764045
174 54H 0.440678 0.764045
175 7D3 0.440367 0.825
176 5CD 0.44 0.753247
177 PPS 0.439655 0.8
178 RAB 0.438776 0.789474
179 ADN 0.438776 0.789474
180 XYA 0.438776 0.789474
181 NDE 0.438356 0.897436
182 AR6 AR6 0.4375 0.883117
183 TSB 0.436975 0.793103
184 53H 0.436975 0.755556
185 DTA 0.436893 0.759494
186 A3P 0.436364 0.881579
187 A2P 0.436364 0.868421
188 A5A 0.435897 0.781609
189 FNK 0.435065 0.840909
190 ODP 0.433824 0.924051
191 SFG 0.433628 0.725
192 Z5A 0.433566 0.858824
193 6FA 0.433333 0.835294
194 SSA 0.432203 0.775281
195 J7C 0.431193 0.702381
196 DTP 0.431034 0.825
197 P5A 0.430894 0.723404
198 5N5 0.43 0.766234
199 DSZ 0.429752 0.775281
200 LSS 0.429752 0.73913
201 NAJ PYZ 0.429577 0.843373
202 52H 0.428571 0.755556
203 SFD 0.427632 0.731959
204 6AD 0.42735 0.831325
205 EP4 0.427184 0.707317
206 FDA 0.426667 0.870588
207 ARU 0.42623 0.788235
208 NVA LMS 0.42623 0.73913
209 6RE 0.425926 0.694118
210 A4D 0.425743 0.766234
211 5CA 0.425 0.775281
212 3DH 0.424528 0.725
213 AV2 0.423729 0.835443
214 LEU LMS 0.422764 0.73913
215 AMP DBH 0.421875 0.860759
216 DAT 0.421053 0.825
217 5X8 0.421053 0.7375
218 GSU 0.419355 0.755556
219 MTA 0.419048 0.725
220 3AT 0.418803 0.883117
221 DCA 0.41844 0.777778
222 ETB 0.41844 0.786517
223 FAS 0.418301 0.845238
224 FAD 0.418301 0.845238
225 A3N 0.418182 0.759494
226 F2N 0.417178 0.850575
227 7D5 0.415094 0.8
228 A U 0.414815 0.910256
229 YSA 0.414062 0.775281
230 NAD BBN 0.412903 0.835294
231 0T1 0.412587 0.777778
232 2AM 0.411215 0.857143
233 M2T 0.409524 0.690476
234 KAA 0.408 0.731183
235 7C5 0.407692 0.790123
236 3AM 0.407407 0.844156
237 AMP NAD 0.406897 0.873418
238 NAP 0.406897 0.909091
239 PUA 0.405594 0.9
240 FAY 0.405063 0.855422
241 P5F 0.404908 0.83908
242 EEM 0.403361 0.670455
243 COA 0.402778 0.777778
244 RFL 0.402516 0.816092
245 GJV 0.401786 0.686047
246 SA8 0.401709 0.686047
247 U A C C 0.401408 0.898734
248 G A A A 0.4 0.841463
249 WSA 0.4 0.784091
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: 19
This union binding pocket(no: 1) in the query (biounit: 4ysw.bio1) has 56 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5AE2 FAD 0.001149 0.4021 1.51976
2 5AE2 FYC 0.001149 0.4021 1.51976
3 2ZTG A5A 0.02909 0.41206 2.977
4 2YPI PGA 0.04407 0.41525 3.23887
5 2GQT FAD 0.0001203 0.41601 3.35821
6 1Q8S MAN MMA 0.03862 0.42336 4.7619
7 4RHY 3QG 0.03409 0.40314 5.97015
8 2MBR FAD 0.0002513 0.41157 6.17647
9 2MBR EPU 0.0004229 0.40349 6.17647
10 5JSQ 6MS 0.001691 0.48695 6.48148
11 4JB1 FAD 0.00001795 0.43428 6.76471
12 4JB1 NAP 0.00001628 0.43361 6.76471
13 1HGX 5GP 0.01762 0.44105 9.83607
14 1PZM 5GP 0.01224 0.44983 9.95261
15 1LNX URI 0.004224 0.48189 12.3457
16 3HRD FAD 0.00000000002546 0.57441 42.7273
17 5G5G FAD 0.0000000001928 0.55369 43.306
18 1T3Q FAD 0.00000000004299 0.55323 47.0238
19 1N62 FAD 0.0000000005095 0.53092 49.3976
Pocket No.: 2; Query (leader) PDB : 4YSW; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4ysw.bio1) has 56 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4YSW; Ligand: NAI; Similar sites found: 17
This union binding pocket(no: 3) in the query (biounit: 4ysw.bio1) has 56 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5AE2 FAD 0.0007867 0.40716 1.51976
2 5AE2 FYC 0.0007867 0.40716 1.51976
3 2X1L ADN 0.03268 0.42237 2.48092
4 2ZTG A5A 0.02563 0.41482 2.977
5 2GQT FAD 0.0001207 0.41587 3.35821
6 4RHY 3QG 0.02668 0.40829 5.97015
7 2MBR FAD 0.0003146 0.40882 6.17647
8 5JSQ 6MS 0.001603 0.48817 6.48148
9 4JB1 NAP 0.00001775 0.4329 6.76471
10 4JB1 FAD 0.00002145 0.43239 6.76471
11 1HGX 5GP 0.01586 0.44359 9.83607
12 1PZM 5GP 0.01238 0.44955 9.95261
13 3KYG 5GP 5GP 0.03151 0.40749 10.1322
14 3HRD FAD 0.000000000009 0.58678 42.7273
15 5G5G FAD 0.000000000154 0.55628 43.306
16 1T3Q FAD 0.00000000003957 0.55407 47.0238
17 1N62 FAD 0.0000000002337 0.54043 49.3976
Pocket No.: 4; Query (leader) PDB : 4YSW; Ligand: URC; Similar sites found: 19
This union binding pocket(no: 4) in the query (biounit: 4ysw.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2V5X V5X 0.03578 0.40986 2.31959
2 1JG3 ADN 0.02972 0.41026 2.55319
3 2FLI DX5 0.01499 0.41726 3.18182
4 5KOK S9T 0.0493 0.40489 3.27456
5 4TTS 6DD 0.01915 0.41344 3.77358
6 3WCA FPS 0.04435 0.40177 3.83562
7 3KRB NAP 0.04513 0.40075 3.89222
8 5VYR B62 0.02781 0.41293 4.21456
9 5VYR GMP 0.02781 0.41293 4.21456
10 1OPK P16 0.01374 0.43097 4.64646
11 2I4I AMP 0.01692 0.40914 4.79616
12 3A1C ACP 0.01268 0.42065 5.92335
13 2BKK ADP 0.02068 0.40273 6.81818
14 5DM1 SAH 0.03822 0.41427 9.3633
15 4TM3 FAD 0.02496 0.44406 11.7381
16 5M45 AMP 0.0228 0.40071 12.5
17 1TT8 PHB 0.03525 0.40275 13.4146
18 3FC4 EDO 0.00002326 0.6092 38.0375
19 1T3Q MCN 0.02448 0.42459 47.0238
Pocket No.: 5; Query (leader) PDB : 4YSW; Ligand: URC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4ysw.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4YSW; Ligand: NAI; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4ysw.bio1) has 56 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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