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Receptor
PDB id Resolution Class Description Source Keywords
3UNI 2.2 Å EC: 1.17.1.4_1.17.3.2 CRYSTAL STRUCTURE OF BOVINE MILK XANTHINE DEHYDROGENASE WITH BOUND BOS TAURUS XANTHINE DEHYDROGENASE OXIDOREDUCTASE
Ref.: PROTEIN CONFORMATIONAL GATING OF ENZYMATIC ACTIVITY XANTHINE OXIDOREDUCTASE. J.AM.CHEM.SOC. V. 134 999 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
20036_20037_20038_20039_ A:1336;
Invalid;
none;
submit data n/a n/a n/a n/a
20208_20209_20210_20211_ B:1336;
Invalid;
none;
submit data n/a n/a n/a n/a
CA A:1345;
B:1346;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
CO3 A:1343;
B:1344;
Invalid;
Invalid;
none;
none;
submit data
60.009 C O3 C(=O)...
FAD A:1337;
B:1337;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
FES A:1333;
A:1334;
B:1333;
B:1334;
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:1339;
A:1340;
A:1341;
A:1342;
B:1339;
B:1340;
B:1341;
B:1342;
B:1343;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MTE A:1335;
B:1335;
Valid;
Valid;
none;
none;
submit data
395.352 C10 H14 N5 O6 P S2 C([C@...
NAI A:1338;
B:1338;
Valid;
Valid;
none;
none;
submit data
665.441 C21 H29 N7 O14 P2 c1nc(...
SAL A:1344;
B:1345;
Valid;
Valid;
none;
none;
submit data
138.121 C7 H6 O3 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1V97 1.94 Å EC: 1.17.1.4_1.17.3.2 CRYSTAL STRUCTURE OF BOVINE MILK XANTHINE DEHYDROGENASE FYX- FORM BOS TAURUS XANTHINE DEHYDROGENASE MOLYBDOPTERIN FYX-051 REACTION INTERMEDIATE OXIDOREDUCTASE
Ref.: THE CRYSTAL STRUCTURE OF XANTHINE OXIDOREDUCTASE DU CATALYSIS: IMPLICATIONS FOR REACTION MECHANISM AND INHIBITION. PROC.NATL.ACAD.SCI.USA V. 101 7931 2004
Members (11)
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....
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: 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: 2; Ligand: MTE; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 MTE 1 1
2 PTE 0.659341 0.934211
3 MSS 0.6 0.884615
4 XAX 0.574713 0.886076
5 MGD 0.541284 0.855422
6 PGD O 0.41129 0.816092
Ligand no: 3; 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: 4; Ligand: SAL; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 SAL 1 1
2 PHT 0.576923 0.636364
3 JKE 0.516129 0.625
4 DBH 0.5 0.869565
5 3HA 0.470588 0.633333
6 GRE 0.466667 0.909091
7 3GQ 0.419355 0.636364
8 GTQ 0.411765 0.952381
9 DOB 0.4 0.952381
10 CAQ 0.4 0.681818
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1V97; Ligand: FAD; Similar sites found with APoc: 117
This union binding pocket(no: 1) in the query (biounit: 1v97.bio1) has 57 residues
No: Leader PDB Ligand Sequence Similarity
1 5JBE MAL 1.17096
2 5CX6 CDP 1.2766
3 5AE2 FAD 1.51976
4 5AE2 FYC 1.51976
5 2I0K FAD 1.78253
6 1XF1 CIT 1.83585
7 5EJL C2E 2.01613
8 2X1L ADN 2.29008
9 3X0D SAH 2.29008
10 4JB1 FAD 2.35294
11 4JB1 NAP 2.35294
12 4RHY 3QG 2.48756
13 4WEI GLC GAL 2.52708
14 2ZKJ ADP 2.53807
15 1HGX 5GP 2.73224
16 1F0X FAD 2.97723
17 3DUV KDO 3.05344
18 3MBI HSX 3.13589
19 2Q4W FAD 3.24427
20 6F5W KG1 3.25203
21 2UUU FAD 3.25342
22 2UUU PL3 3.25342
23 2ZYJ PGU 3.27456
24 3V2U ATP 3.42466
25 6BK3 UDP 3.42612
26 1QK3 5GP 3.43348
27 2IYA UDP 3.53774
28 3QCJ NX4 3.54839
29 1NLM UD1 3.57143
30 1O5O U5P 3.61991
31 1SW0 PGA 3.62903
32 3TAO PGH 3.74532
33 1E8G FCR 3.75
34 1E8G FAD 3.75
35 1L1Q 9DA 3.76344
36 2PS1 ORO 3.9823
37 5YK1 ANP 3.9823
38 3W2W ATP 3.98818
39 5CB8 ADX 4.06091
40 3VSV XYP 4.07523
41 3ZM6 2GN 4.08602
42 2MBR FAD 4.11765
43 2MBR EPU 4.11765
44 1CX4 CMP 4.2623
45 3VPD CIT 4.27046
46 3VPD BUA 4.27046
47 4BQS K2Q 4.54545
48 3R6K FUC GAL GLA 4.59016
49 5H3A D16 4.59364
50 2FVK DUC 4.65116
51 4LOC OXM 4.74684
52 6AR9 3L4 4.77941
53 4KVL PLM 4.83092
54 2GQT FAD 4.85075
55 3ACC 5GP 4.97238
56 5IFS ADP 5.06329
57 1HSK FAD 5.21472
58 3ZQE DXC 5.2459
59 4JZ8 CIT 5.36278
60 3OZG SSI 5.6
61 4P8K FAD 5.625
62 4P8K 38C 5.625
63 4AUT FAD 5.76923
64 6C0B MLI 5.76923
65 4JLS 3ZE 5.92105
66 4BTK DTQ 6.23145
67 1U1W 3HA 6.37584
68 3B6C SDN 6.41026
69 1UPF URF 6.69643
70 1G5N UAP SGN IDS SGN 6.91824
71 1DQN IMU 6.95652
72 1B4B ARG 7.04225
73 5W8X UDP 7.06806
74 3K8D KDO 7.19697
75 1Q8Q MAN MMA 7.53968
76 4P83 U5P 7.69231
77 4GV8 DUP 7.69231
78 2OFE NAG 7.74648
79 2OFD NGA 7.74648
80 3VPC ADP 7.80142
81 4I9A NCN 7.98611
82 5E5U MLI 8.0402
83 6APV 3L4 8.33333
84 3VX3 ADP 8.87097
85 3QDY CBS 9.09091
86 3QDW NDG 9.09091
87 4RM0 FUC NAG GAL 9.17722
88 1P19 IMP 9.50226
89 2IYL GDP 9.50704
90 1IXE COA 9.81432
91 1PZM 5GP 9.95261
92 3AB4 THR 10.1124
93 2DTJ THR 10.1124
94 4UHF BUA 10.2837
95 4USI AKG 11.039
96 1D1Q 4NP 11.1801
97 3B6O TMP 11.336
98 2ACV UDP 11.4471
99 2GJ5 VD3 11.7284
100 1PVC ILE SER GLU VAL 11.7647
101 1MID LAP 12.0879
102 6DUB SAH 12.1622
103 4KYK IMN 13.0435
104 4P86 5GP 14.2077
105 1NX0 ALA LYS ALA ILE ALA 14.4509
106 1XTT U5P 16.2037
107 4YEE 4CQ 16.6667
108 1XPJ TLA 18.254
109 4K47 WMP 19.7917
110 2WW4 ADP 20.1413
111 5ZCO CHD 29.7872
112 5G5G FAD 41.5301
113 3HRD FAD 44.2424
114 5Y6Q FAD 45.0617
115 1T3Q FAD 47.0238
116 1N62 FAD 49.3976
117 1RM6 FAD 49.6894
Pocket No.: 2; Query (leader) PDB : 1V97; Ligand: FAD; Similar sites found with APoc: 23
This union binding pocket(no: 2) in the query (biounit: 1v97.bio1) has 56 residues
No: Leader PDB Ligand Sequence Similarity
1 1HK8 DGT 2.14876
2 3QRY DMJ 3.28639
3 3GD8 GOL 3.58744
4 1H5R THM 3.75427
5 1H5T TYD 3.75427
6 1H5S TMP 3.75427
7 4MRP GSH 4.23453
8 1TE2 PGA 4.86726
9 6CS8 F9Y 4.9505
10 4D52 GXL 5.07937
11 1NML CIT 5.21472
12 4J4V SVR 5.64516
13 1SQL GUN 6.16438
14 4QCK ASD 6.47668
15 2QS8 MET 6.69856
16 2D5X L35 6.84932
17 3BU5 ATP 7.51634
18 3KYG 5GP 5GP 7.92952
19 3P13 RIP 8.33333
20 2NUO BGC 9.83607
21 1QB7 ADE 11.0169
22 1Y8O ADP 11.6945
23 4RT1 C2E 23.2143
Pocket No.: 3; Query (leader) PDB : 1V97; Ligand: MTE; Similar sites found with APoc: 99
This union binding pocket(no: 3) in the query (biounit: 1v97.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 2VOT NHV 0.945626
3 4OUE IPT 1.49254
4 3ZGE ASP 1.61616
5 2ZPA ADP 1.63934
6 2VGK REZ 1.84049
7 1WRA PC 1.94805
8 4B2D SER 2.55474
9 5YRI GLC GLC 2.8169
10 2GK6 ADP 2.88462
11 5X30 4LM 2.92793
12 4GAA BES 2.95567
13 3DUV KDO 3.05344
14 5M77 7K2 7K3 3.05603
15 4BG4 ARG 3.08989
16 4BHL ARG 3.08989
17 2CH5 NAG 3.17003
18 2AL2 PEP 3.21101
19 2AL2 2PG 3.21101
20 5XLS URA 3.21839
21 6F5W KG1 3.25203
22 1VCO GLN 3.27273
23 1Y7I SAL 3.35821
24 3K56 IS3 3.38346
25 3OID TCL 3.48837
26 1FDJ 2FP 3.58127
27 3R4S SLB 3.61174
28 4CU1 H4B 3.61174
29 4CFT H4B 3.61174
30 4ZNL BEF ADP 3.64964
31 3K6V CIT 3.67232
32 1LVW TYD 3.72881
33 5AHS FAD 3.74065
34 1H5R THM 3.75427
35 1H5S TMP 3.75427
36 5OD2 GLC 3.93013
37 1UJ5 5RP 3.96476
38 1LPD ADE 4.33071
39 1IXI 2HP 4.36137
40 6FOG OXL 4.46429
41 3LRE ADP 4.50704
42 4DBH OXL 4.51389
43 5JBX MLI 4.5977
44 3OTH TYD 4.61165
45 1IIM TTP 4.79452
46 4XDA RIB 4.85437
47 4JEJ 1GP 4.91803
48 1S8G DAO 4.95868
49 3WCS MAN NAG GAL 5.11811
50 2C3Q GTX 5.26316
51 5I34 GDP 5.44218
52 4YMJ 4EJ 5.59211
53 4YDU ADP 5.90717
54 3KV5 OGA 5.94262
55 5LV1 78T 6.07143
56 1SQL GUN 6.16438
57 5OUH L0B 6.34146
58 5Z0A NAG 6.60147
59 3BRN SRO 7.00637
60 3K8D KDO 7.19697
61 4OWK NGA 7.24638
62 4XYM A12 7.3913
63 4D06 NAR 7.42049
64 5XG5 A2G 7.58621
65 2J73 GLC GLC GLC 7.76699
66 2J73 GLC GLC GLC GLC 7.76699
67 5WKR NAR 8.07175
68 2ZL4 ALA ALA ALA ALA 8.16327
69 5N58 93W 8.64662
70 1ZOS MTM 8.69565
71 5CIC 51R 9.25926
72 2EB5 OXL 9.3633
73 5F90 LMR 9.61539
74 5F90 GLA GAL 9.61539
75 2HYR BGC GLC 9.83607
76 5AEW BNL 10.6383
77 2NSJ C2R 10.6509
78 4RHS SIA SIA GAL 10.6557
79 4ZGR NGA GAL 10.9312
80 2FR6 CTN 10.9589
81 1XXR MAN 11.1801
82 5C8W PCG 11.1888
83 3GWN FAD 11.4035
84 1Y4Z PCI 12.8889
85 4HBM 0Y7 13.3333
86 1KJ1 MAN 13.7615
87 1NC4 DOF 16.7421
88 6FLZ MMA 18.0556
89 1XPJ TLA 18.254
90 2GNK ATP 18.75
91 5ODT ADP 21.7391
92 3FC4 EDO 38.5888
93 5G5G MCN 41.5301
94 3HRD MCN 44.2424
95 3HRD NIO 44.2424
96 5Y6Q MCN 45.0617
97 1T3Q MCN 47.0238
98 1N62 MCN 49.3976
99 1RM6 PCD 49.6894
Pocket No.: 4; Query (leader) PDB : 1V97; Ligand: MTE; Similar sites found with APoc: 20
This union binding pocket(no: 4) in the query (biounit: 1v97.bio1) has 42 residues
No: Leader PDB Ligand Sequence Similarity
1 1CT9 GLN 1.98915
2 2Q1A 2KT 2.38908
3 1G27 BB1 2.97619
4 5O5Y GLC 3.44828
5 5CJF 520 3.58423
6 1ZGS XMM 3.80313
7 3O94 NCA 4.2654
8 4Y9T PA1 4.33526
9 1DMY AZM 4.43548
10 3W9K MYR 5.03597
11 4CT7 TRP 5.92593
12 1H74 ILE 6.08108
13 1S17 GNR 6.11111
14 6CUZ FEV 6.4433
15 4E03 ADP 6.79612
16 5C9P FUC 7.61155
17 6G47 SIA SIA 13.8756
18 5MTE BB2 14.5985
19 4YEE 4CQ 16.6667
20 5ZCO CHD 29.7872
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