Receptor
PDB id Resolution Class Description Source Keywords
3HAZ 2.1 Å EC: 1.5.1.12 CRYSTAL STRUCTURE OF BIFUNCTIONAL PROLINE UTILIZATION A (PUTA) PROTEIN BRADYRHIZOBIUM JAPONICUM USDA 110 PROLINE UTILIZATION A PUTA FLAVOENZYME PROLINE DEHYDROGENASE 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF THE BIFUNCTIONAL PROLINE UTILIZATION A FLAVOENZYME FROM BRADYRHIZOBIUM JAPONICUM PROC.NATL.ACAD.SCI.USA V. 107 2878 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:2001;
B:2002;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
GOL A:1007;
A:1008;
A:1009;
B:1006;
B:1007;
B:1008;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NAD A:2003;
B:2004;
Valid;
Valid;
none;
none;
submit data
663.425 C21 H27 N7 O14 P2 c1cc(...
SO4 A:1000;
A:1001;
A:1002;
A:1003;
A:1004;
A:1005;
A:1006;
B:1000;
B:1001;
B:1002;
B:1003;
B:1004;
B:1005;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HAZ 2.1 Å EC: 1.5.1.12 CRYSTAL STRUCTURE OF BIFUNCTIONAL PROLINE UTILIZATION A (PUTA) PROTEIN BRADYRHIZOBIUM JAPONICUM USDA 110 PROLINE UTILIZATION A PUTA FLAVOENZYME PROLINE DEHYDROGENASE 1-PYRROLINE-5-CARBOXYLATE DEHYDROGENASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF THE BIFUNCTIONAL PROLINE UTILIZATION A FLAVOENZYME FROM BRADYRHIZOBIUM JAPONICUM PROC.NATL.ACAD.SCI.USA V. 107 2878 2010
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 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....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 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....
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: 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: 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HAZ; Ligand: FAD; Similar sites found: 236
This union binding pocket(no: 1) in the query (biounit: 3haz.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.02333 0.44338 None
2 4AMW 5DI 0.02648 0.41568 1.2987
3 4CCO OGA 0.00731 0.42368 1.49893
4 3F3E LEU 0.00004369 0.43646 1.54143
5 4FWE FAD 0.0000004167 0.50402 1.63317
6 4P4T GDP 0.0007017 0.4318 1.66667
7 1Z44 NPO 0.005624 0.47893 1.77515
8 1Z44 FMN 0.006209 0.40879 1.77515
9 1R6D NAD 0.00143 0.40753 1.78042
10 1R6D DAU 0.0016 0.4052 1.78042
11 2O2C G6Q 0.000682 0.44127 1.79445
12 3T31 FAD 0.0007787 0.41649 1.83066
13 4OYA 1VE 0.0009536 0.43681 1.91489
14 4GYW UDP 0.000235 0.40858 1.93638
15 4RPM HXC 0.04909 0.42459 1.97044
16 1Y42 TYR 0.0008043 0.46569 2.04082
17 4LHM AZZ 0.004469 0.43858 2.04545
18 2O4J VD4 0.001067 0.40038 2.05479
19 4DYO SD4 0.0008407 0.45875 2.06186
20 4CKU P2F 0.0009723 0.40821 2.12766
21 3NFZ 3NF 0.006348 0.4125 2.14067
22 1O0S NAI 0.001611 0.40435 2.14876
23 1F1V DHY 0.0005422 0.46683 2.16718
24 2YP9 SIA CMO 0.00683 0.4015 2.18688
25 3Q9T FAY 0.0005429 0.40618 2.25303
26 1TV5 ORO 0.005604 0.40472 2.25734
27 1FW1 GSH 0.001786 0.42987 2.31481
28 1N6B DMZ 0.0005032 0.40592 2.32558
29 3S7O LBV 0.0000306 0.43168 2.33236
30 2XVE FAD 0.0003515 0.43214 2.37069
31 1V35 NAI 0.0006482 0.40737 2.43161
32 2BH9 NAP 0.007245 0.40237 2.45399
33 3R4S SIA 0.03336 0.4028 2.48307
34 1WDA BAG 0.003168 0.43428 2.53731
35 1V5F FAD 0.0186 0.40522 2.54669
36 1V5F TPP 0.0186 0.40522 2.54669
37 2Z9V PXM 0.003923 0.43554 2.55102
38 2WA4 069 0.002983 0.42565 2.5788
39 3ZPG 5GP 0.001077 0.49832 2.6178
40 2Q1S NAI 0.0007954 0.40688 2.65252
41 3B1J NAD 0.0001735 0.41397 2.65487
42 2E1A MSE 0.0006318 0.46401 2.66667
43 3SHR CMP 0.003417 0.42794 2.67559
44 3A1I UNU 0.005356 0.41988 2.68714
45 1V6A TRE 0.01339 0.41695 2.71084
46 4IXW IXW 0.006479 0.42106 2.75591
47 2CKM AA7 0.000876 0.40353 2.76243
48 4I9A NCN 0.01154 0.41039 2.77778
49 3DGB MUC 0.0001809 0.47437 2.87958
50 1P4C FMN 0.003349 0.40409 2.89474
51 3WE0 FAD 0.001015 0.40374 2.93103
52 3FC4 EDO 0.001015 0.4121 2.97685
53 4RJK PYR 0.005721 0.4527 2.97723
54 2ORV 4TA 0.0006974 0.41266 2.99145
55 4C12 ADP 0.0005634 0.41907 2.99401
56 1OYB FMN 0.0008226 0.41386 3
57 1OYB HBA 0.0009002 0.40262 3
58 2PP3 LGT 0.004103 0.4158 3.01508
59 2G50 PYR 0.004833 0.45074 3.01887
60 3IU9 T07 0.000201 0.43725 3.125
61 2Q8H TF4 0.006343 0.45797 3.1941
62 4OB6 S2T 0.002295 0.42131 3.22581
63 4COQ SAN 0.01668 0.41768 3.23887
64 2ZO9 MLI 0.008816 0.40882 3.28467
65 4KOA NDP 0.00004301 0.48089 3.3033
66 2Q37 3AL 0.005641 0.434 3.31492
67 1ULE GLA GAL NAG 0.008604 0.44376 3.33333
68 4DQ2 BTX 0.0001459 0.40775 3.35366
69 2NX1 PEP 0.0001473 0.40549 3.37079
70 3B6R CRN 0.02791 0.43059 3.41207
71 4QN6 LNV 0.0007772 0.40049 3.4965
72 2YC5 6BC 0.0001974 0.41496 3.50877
73 2QV7 ADP 0.002402 0.42056 3.56083
74 1I0Z OXM 0.002421 0.47989 3.6036
75 1HDG NAD 0.001207 0.40186 3.61446
76 1DRV A3D 0.001342 0.40399 3.663
77 1SB8 UD2 0.001704 0.40436 3.69318
78 3K37 BCZ 0.003661 0.40892 3.77834
79 1SJD NPG 0.0007747 0.41121 3.80435
80 3I0O ADP 0.002904 0.43084 3.83481
81 3I0O SMI 0.009946 0.42282 3.83481
82 1D6H COA 0.0007744 0.40722 3.87597
83 1KBJ FMN 0.00009078 0.40481 3.8835
84 4JWX 1N4 0.01125 0.41545 3.92857
85 3SJU NDP 0.000165 0.41135 3.94265
86 3I28 34N 0.0008381 0.4092 3.96396
87 3QV9 QV7 0.0009907 0.46818 4.00802
88 1Q11 TYE 0.0009683 0.46216 4.03226
89 2CJE DUN 0.001423 0.41686 4.10448
90 1Y9Q MED 0.005863 0.43901 4.16667
91 3OCZ SRA 0.005381 0.40353 4.19847
92 1I2B UPG 0.001133 0.41147 4.20792
93 1I2B NAD 0.001133 0.41147 4.20792
94 1I2B USQ 0.001133 0.41147 4.20792
95 3FGC FMN 0.00008904 0.42344 4.22535
96 4Q0P 0MK 0.008737 0.40251 4.23077
97 1MZV AMP 0.002145 0.43627 4.25532
98 2EG5 SAH 0.021 0.40824 4.30108
99 2NLI FMN 0.001504 0.4043 4.34783
100 2NLI LAC 0.001504 0.4043 4.34783
101 2RHQ GAX 0.001924 0.40517 4.42177
102 1RZM E4P 0.001149 0.47962 4.43787
103 1RZM PEP 0.002611 0.4433 4.43787
104 3OF1 CMP 0.02572 0.40745 4.47154
105 1FL2 FAD 0.001032 0.40036 4.51613
106 4HA6 FAD 0.0004269 0.41488 4.52756
107 4M4Q 21A 0.001272 0.40435 4.56432
108 2Y7P SAL 0.002046 0.44793 4.58716
109 4L7I SAM 0.002356 0.41678 4.6683
110 2F2U M77 0.01488 0.40152 4.72637
111 4IAE 1DX 0.001963 0.4029 4.7619
112 1G8S MET 0.001081 0.47339 4.78261
113 4G8R 96P 0.02963 0.41306 4.78723
114 2R5T ANP 0.002016 0.40794 4.82574
115 3QDT A2G GAL 0.03223 0.41466 4.8951
116 1JQI FAD 0.0003298 0.40993 4.89691
117 1YBH FAD 0.0001813 0.42121 4.91525
118 1GEE NAD 0.0001483 0.41264 4.98084
119 2PT9 2MH 0.0005455 0.40109 4.98442
120 2PT9 S4M 0.0001552 0.40029 4.98442
121 3LTW HLZ 0.001701 0.46418 5
122 2XDQ MGX 0.01297 0.44164 5.08806
123 1JA9 NDP 0.001482 0.4167 5.10949
124 3NYQ AMP 0.0005143 0.40046 5.14851
125 1HV9 UD1 0.001396 0.40063 5.26316
126 2YGO PCF 0.000599 0.40169 5.31915
127 3CF6 SP1 0.002992 0.41694 5.38922
128 2YVF FAD 0.0009782 0.41742 5.39216
129 2YVF NAD 0.001053 0.41718 5.39216
130 2P8B NSK 0.008081 0.40802 5.42005
131 1QD0 RR6 0.003137 0.42477 5.46875
132 1K97 CIR 0.0006484 0.43468 5.49451
133 1K97 ASP 0.0006484 0.43468 5.49451
134 4F8L GAL 0.001117 0.51912 5.51724
135 3MPI GRA 0.001842 0.40416 5.54156
136 2YPO PHE 0.0002981 0.40217 5.62771
137 2CI5 HCS 0.03851 0.40982 5.6338
138 1QJC PNS 0.001391 0.40748 5.6962
139 2E2R 2OH 0.0001854 0.41435 5.7377
140 1RYI FAD 0.0009698 0.40433 5.75916
141 2C5S AMP 0.009677 0.41364 5.81114
142 4E28 0MZ 0.003555 0.44308 5.84615
143 4E28 9MZ 0.01606 0.41845 5.84615
144 1P77 ATR 0.01152 0.43413 5.88235
145 2NCD ADP 0.002374 0.45102 5.95238
146 4Q0A 4OA 0.001551 0.41942 5.96026
147 3A25 SAM 0.0123 0.40589 5.98007
148 4FR3 LYS ARG ARG LYS SEP VAL 0.002044 0.41289 5.98291
149 4FR3 0V4 0.002046 0.41288 5.98291
150 3RFV NAI 0.0001643 0.40377 5.99251
151 3F81 STT 0.00578 0.46009 6.01093
152 1SJW NGV 0.005985 0.40552 6.25
153 1EJE FMN 0.005236 0.40041 6.25
154 4G1V FAD 0.003242 0.41744 6.26566
155 2VDF OCT 0.03604 0.40566 6.32411
156 2YGN PCF 0.0002061 0.40411 6.41026
157 1M5B BN1 0.0009287 0.41577 6.46388
158 1T26 NAI 0.003713 0.41498 6.52174
159 1T26 GBD 0.003713 0.41498 6.52174
160 1SS4 CIT 0.0001131 0.62508 6.53595
161 1SS4 GSH 0.00008552 0.5972 6.53595
162 1H82 GZZ 0.000214 0.43808 6.5678
163 1H82 FAD 0.000464 0.42512 6.5678
164 1UF5 CDT 0.005259 0.4202 6.60066
165 2Q2V NAD 0.00005713 0.42731 6.66667
166 2EB5 OXL 0.004579 0.44404 6.74157
167 1EYE PMM 0.008555 0.40729 6.78571
168 3I8P 840 0.0001332 0.46813 6.79157
169 3APT FAD 0.000362 0.44794 6.79321
170 1B74 DGN 0.03965 0.41226 7.08661
171 4BQS ADP 0.02024 0.41277 7.38636
172 1SQ5 ADP 0.003357 0.42359 7.46753
173 1SQ5 PAU 0.00737 0.42353 7.46753
174 2WSI FAD 0.009616 0.40458 7.51634
175 1X1T NAD 0.002478 0.41084 7.69231
176 3WBF NAP 0.0001785 0.40613 7.86885
177 4TMK T5A 0.01179 0.40359 7.98122
178 1C1L GAL BGC 0.006332 0.44366 8.0292
179 2IYG FMN 0.00214 0.43143 8.06452
180 3H11 ALA ILE GLU THR ASA 0.02911 0.40114 8.11808
181 1YRX FMN 0.007039 0.40666 8.26446
182 1O9U ADZ 0.01693 0.43555 8.28571
183 1ZK4 AC0 0.00138 0.42275 8.36653
184 1ZK4 NAP 0.00138 0.42275 8.36653
185 4R33 TRP 0.0005342 0.4 8.57143
186 4R33 SAH 0.0005342 0.4 8.57143
187 4USQ FAD 0.00005781 0.42867 8.58726
188 1Q3Q ANP 0.001101 0.41185 8.75912
189 4ZYB 4SQ 0.02532 0.42972 8.95522
190 2BGM NAJ 0.0009053 0.41612 8.99281
191 1NVU GTP 0.001141 0.41138 9.03614
192 1LDM NAD 0.002407 0.4073 9.11854
193 1N9L FMN 0.0002846 0.44588 9.17431
194 2RHW C0E 0.0008176 0.42063 9.18728
195 4F4S EFO 0.006323 0.42645 9.21053
196 2JGS BTN 0.004405 0.43605 9.23077
197 2DT5 NAD 0.0001307 0.41747 9.47867
198 2C1Q BTN 0.0005334 0.40758 9.52381
199 2DTX BMA 0.0005296 0.40767 9.84848
200 1EP2 ORO 0.0003041 0.40827 9.96785
201 1MXI SAH 0.002511 0.41189 10
202 2QCX PF1 0.001522 0.45975 10.2662
203 1T0S BML 0.007125 0.44789 10.4651
204 3BY8 MLT 0.004755 0.44971 10.5634
205 3IIS PID 0.004641 0.40147 10.596
206 3UEC ALA ARG TPO LYS 0.005508 0.4466 10.9589
207 4PTZ FMN 0.00367 0.40967 10.9948
208 3UXL CFI 0.00702 0.40379 11.4883
209 1A8S PPI 0.01037 0.40594 11.7216
210 3MAG 3MA 0.001366 0.50285 12.0521
211 3MAG SAH 0.003393 0.40362 12.0521
212 2GJN FMN 0.001272 0.40115 12.1951
213 3F8C HT1 0.004398 0.43889 12.6984
214 3KJQ B94 0.004441 0.41872 13.4146
215 4Q3F TLA 0.0301 0.40562 13.6752
216 3RF4 FUN 0.01491 0.41007 13.7931
217 4NAT ADP 0.003758 0.40966 14.375
218 3S9K CIT 0.01519 0.44088 14.4068
219 1W7J ADP BEF 0.004934 0.40493 15.2318
220 1PEA ACM 0.007023 0.44821 15.5844
221 1QO0 BMD 0.01853 0.41552 15.5844
222 1OAA OAA 0.0008836 0.40552 16.6023
223 1YOA FMN 0.0007032 0.53062 16.9811
224 3CQD ATP 0.0004181 0.40824 17.1521
225 1V7R CIT 0.03371 0.42646 17.2043
226 4K30 NLG 0.006887 0.42482 21.25
227 2FYU FDN 0.00007327 0.46705 24.359
228 2QLX RM4 0.008469 0.43752 29.6296
229 3P3N AKG 0.003907 0.44727 30
230 1TUV VK3 0.02083 0.43079 32.4561
231 4NMC FAD 4.932e-16 0.89639 41.9901
232 4NMC 2OP 0.000000000000001665 0.87307 41.9901
233 2G37 FAD 0.00000000002933 0.61618 43.7309
234 4H6Q FAD 0.0000000002305 0.70222 44.5513
235 4H6Q TFB 0.000000001084 0.65369 44.5513
236 4O8A FAD 1.394e-16 0.89689 48.7627
Pocket No.: 2; Query (leader) PDB : 3HAZ; Ligand: NAD; Similar sites found: 232
This union binding pocket(no: 2) in the query (biounit: 3haz.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.000954 0.52161 None
2 2YYJ FAD 0.004136 0.41067 1.4553
3 2YYJ 4HP 0.004136 0.41067 1.4553
4 4CCO OGA 0.01849 0.40474 1.49893
5 3F3E LEU 0.0007548 0.40369 1.54143
6 4FWE FAD 0.0008381 0.40902 1.63317
7 4P4T GDP 0.0002365 0.44722 1.66667
8 4IVG ANP 0.00217 0.40202 1.70015
9 1Z44 NPO 0.02285 0.44273 1.77515
10 1Z44 FMN 0.002539 0.42257 1.77515
11 2O2C G6Q 0.001471 0.42723 1.79445
12 3T31 DCQ 0.0003525 0.43186 1.83066
13 3T31 FAD 0.0003105 0.43186 1.83066
14 2IU8 PLM 0.001899 0.43398 1.87166
15 4OYA 1VE 0.00506 0.41466 1.91489
16 1Y42 TYR 0.009334 0.41777 2.04082
17 4LHM AZZ 0.008113 0.42558 2.04545
18 1F1V DHY 0.007626 0.41678 2.16718
19 3QSB 743 0.004206 0.44616 2.18579
20 1Q0H NDP 0.0004343 0.42174 2.21675
21 1Q0H FOM 0.0004986 0.41791 2.21675
22 4O1M NAD 0.0004718 0.40015 2.22222
23 2AQJ TRP 0.001156 0.41634 2.23048
24 2AQJ FAD 0.001235 0.4162 2.23048
25 3Q9T FAY 0.0001718 0.42387 2.25303
26 2XVE FAD 0.0006473 0.42669 2.37069
27 1LVL FAD 0.0002202 0.42656 2.40175
28 4QED NAP 0.0001173 0.4172 2.41935
29 2BH9 NAP 0.001102 0.43195 2.45399
30 2Z9V PXM 0.004024 0.43374 2.55102
31 2WA4 069 0.006 0.41219 2.5788
32 3ZPG 5GP 0.0004195 0.51825 2.6178
33 2NVK FAD 0.0002469 0.42281 2.66393
34 2E1A MSE 0.0006235 0.46279 2.66667
35 3SHR CMP 0.007554 0.41244 2.67559
36 3A1I UNU 0.004538 0.42154 2.68714
37 1V6A TRE 0.0002212 0.49607 2.71084
38 2G30 ALA ALA PHE 0.002114 0.43378 2.71318
39 4IXW IXW 0.01129 0.40954 2.75591
40 3ZV6 4HB 0.000892 0.40716 2.84698
41 3ZV6 NAD 0.0008219 0.40716 2.84698
42 3OND ADN 0.001781 0.4029 2.86885
43 3OND NAD 0.001781 0.4029 2.86885
44 3DGB MUC 0.01184 0.40038 2.87958
45 2DHC DCE 0.02392 0.4179 2.90323
46 1UXG FUM 0.00001006 0.46026 2.91262
47 3WE0 FAD 0.0004798 0.41634 2.93103
48 4NTD FAD 0.0002747 0.41785 2.94118
49 3FC4 EDO 0.0006595 0.42072 2.97685
50 4RJK PYR 0.0007541 0.49555 2.97723
51 2ORV 4TA 0.0009118 0.40752 2.99145
52 1ZK7 FAD 0.000161 0.43287 2.99786
53 1IG3 VIB 0.0003511 0.40377 3.04183
54 3KYG 5GP 5GP 0.02074 0.40048 3.0837
55 2J07 HDF 0.00085 0.41371 3.09524
56 2J07 FAD 0.00085 0.41371 3.09524
57 1SZO CAX 0.02569 0.41619 3.11284
58 1TDF FAD 0.00006299 0.44641 3.16456
59 1TDF NAP 0.001848 0.41754 3.16456
60 2Q8H TF4 0.000657 0.50809 3.1941
61 4OB6 S2T 0.002846 0.41642 3.22581
62 4COQ SAN 0.00787 0.43175 3.23887
63 2ZO9 MLI 0.007719 0.40991 3.28467
64 1IK4 PGH 0.01378 0.41614 3.28947
65 1C0I BE2 0.001325 0.40497 3.30579
66 1C0I FAD 0.001325 0.40497 3.30579
67 2Q37 3AL 0.001318 0.46118 3.31492
68 1ULE GLA GAL NAG 0.007174 0.44647 3.33333
69 2IXB A2G 0.0003461 0.41488 3.37838
70 1RZU ADP 0.02782 0.40096 3.3966
71 2QV7 ADP 0.002807 0.41665 3.56083
72 1I0Z OXM 0.04192 0.41353 3.6036
73 1DRV A3D 0.000645 0.41646 3.663
74 3LKF PC 0.02551 0.40654 3.67893
75 1LNX URI 0.001078 0.4587 3.7037
76 3K37 BCZ 0.006759 0.40247 3.77834
77 2G86 UMP 0.0007783 0.41489 3.79747
78 3I0O ADP 0.01313 0.40255 3.83481
79 2V6O FAD 0.000241 0.44791 3.85906
80 1D6H COA 0.0001848 0.42886 3.87597
81 1EXB NDP 0.001392 0.42157 3.91566
82 4JWX 1N4 0.001725 0.4498 3.92857
83 3FXU TSU 0.0001025 0.40466 3.93443
84 3SJU NDP 0.0001916 0.40606 3.94265
85 3I28 34N 0.001092 0.4085 3.96396
86 3QV9 QV7 0.007834 0.42626 4.00802
87 1Q11 TYE 0.001402 0.45373 4.03226
88 3OCZ SRA 0.003998 0.40698 4.19847
89 1I2B UPG 0.01152 0.40943 4.20792
90 1I2B USQ 0.01152 0.40943 4.20792
91 1I2B NAD 0.01152 0.40943 4.20792
92 4Q0P 0MK 0.001714 0.42885 4.23077
93 2NLI FMN 0.001105 0.41616 4.34783
94 2NLI LAC 0.001238 0.41616 4.34783
95 1RZM PEP 0.005466 0.42793 4.43787
96 1HE1 AF3 0.01481 0.42707 4.44444
97 1FL2 FAD 0.00007808 0.43655 4.51613
98 4HA6 FAD 0.0006675 0.412 4.52756
99 2Y7P SAL 0.001038 0.45941 4.58716
100 2F2U M77 0.00993 0.40755 4.72637
101 2GMP NAG MAN 0.01833 0.41781 4.7619
102 1G8S MET 0.006935 0.43431 4.78261
103 2R5T ANP 0.0008496 0.41557 4.82574
104 3QDT A2G GAL 0.002432 0.47006 4.8951
105 2RGH FAD 0.0005054 0.41236 4.8951
106 4LH7 NMN 0.03413 0.40806 4.95356
107 3LTW HLZ 0.004778 0.44187 5
108 2AE2 PTO 0.0005472 0.41133 5
109 2AE2 NAP 0.0005472 0.41133 5
110 2XDQ MGX 0.003068 0.47317 5.08806
111 1JA9 NDP 0.0006538 0.43094 5.10949
112 1HV9 UD1 0.000658 0.41323 5.26316
113 3RO7 TDR 0.005573 0.41184 5.28302
114 3CF6 SP1 0.002229 0.42042 5.38922
115 2XD9 XD9 0.01054 0.41426 5.38922
116 1XVV CCQ 0.000312 0.41743 5.39216
117 2YVF FAD 0.003014 0.40458 5.39216
118 2YVF NAD 0.003208 0.40442 5.39216
119 1QD0 RR6 0.003482 0.42163 5.46875
120 3ICC NAP 0.0003633 0.40633 5.4902
121 1K97 CIR 0.003619 0.41261 5.49451
122 1K97 ASP 0.003619 0.41261 5.49451
123 4F8L GAL 0.03442 0.43244 5.51724
124 2YPO PHE 0.0003628 0.40337 5.62771
125 1RYD NDP 0.0005941 0.40675 5.68475
126 1RYI FAD 0.000425 0.41793 5.75916
127 4E28 0MZ 0.0002191 0.49626 5.84615
128 2V5E SCR 0.008182 0.45907 5.94059
129 2NCD ADP 0.001008 0.46641 5.95238
130 1GR0 NAD 0.00287 0.4125 5.99455
131 1VDC FAD 0.0003489 0.42466 6.00601
132 3F81 STT 0.005799 0.45873 6.01093
133 3LZW FAD 0.0002351 0.41984 6.0241
134 3LZW NAP 0.0008965 0.41984 6.0241
135 1I1Q TRP 0.03888 0.4007 6.15385
136 1SJW NGV 0.0004534 0.4465 6.25
137 1M5B BN1 0.002208 0.40666 6.46388
138 1T26 GBD 0.0002363 0.45819 6.52174
139 1SS4 GSH 0.0006106 0.54098 6.53595
140 1SS4 CIT 0.002292 0.51039 6.53595
141 1H82 GZZ 0.0009957 0.41995 6.5678
142 1UF5 CDT 0.01235 0.40365 6.60066
143 2Q2V NAD 0.0003443 0.40841 6.66667
144 2GSD NAD 0.0007044 0.4021 6.71642
145 2EB5 OXL 0.001587 0.46419 6.74157
146 1EYE PMM 0.002386 0.42817 6.78571
147 3I8P 840 0.003989 0.41089 6.79157
148 4PLG OXM 0.0004923 0.40915 7.18563
149 4L1F FAD 0.0000307 0.41714 7.31071
150 1SQ5 ADP 0.004881 0.41577 7.46753
151 1DR1 NAP 0.0006229 0.40615 7.93651
152 1DR1 HBI 0.0006229 0.40615 7.93651
153 1C1L GAL BGC 0.007098 0.43998 8.0292
154 2YN4 39J 0.03352 0.40948 8.05085
155 2IYG FMN 0.002188 0.42968 8.06452
156 1YRX FMN 0.002587 0.42226 8.26446
157 1O9U ADZ 0.01497 0.43714 8.28571
158 3TO7 COA 0.0007985 0.40416 8.33333
159 1ZK4 NAP 0.0003976 0.44338 8.36653
160 1ZK4 AC0 0.0003976 0.44338 8.36653
161 1Q3Q ANP 0.002768 0.40355 8.75912
162 2A2X NA9 0.004032 0.40317 8.82353
163 1I7M CG 0.01005 0.43139 8.95522
164 2BGM NAJ 0.0007565 0.42137 8.99281
165 2PR5 FMN 0.002359 0.41151 9.09091
166 1N9L FMN 0.004449 0.40165 9.17431
167 4F4S EFO 0.0008093 0.46413 9.21053
168 2JGS BTN 0.01421 0.41212 9.23077
169 2XG5 EC5 0.004088 0.45922 9.24856
170 3HB5 E2B 0.0005938 0.41341 9.48012
171 1RM4 NDP 0.003484 0.40186 9.49555
172 2YHW BM3 0.0000377 0.43111 9.62099
173 3PLN U5P 0.01777 0.4055 9.66981
174 2QCX PF1 0.0112 0.41923 10.2662
175 1T0S BML 0.009233 0.44096 10.4651
176 1VL8 NAP 0.00005944 0.41341 10.4869
177 3BY8 MLT 0.006405 0.44214 10.5634
178 3UEC ALA ARG TPO LYS 0.00229 0.46374 10.9589
179 4PTZ FMN 0.0001984 0.45486 10.9948
180 1OFL NGK GCD 0.02195 0.41034 11.2266
181 3MWL 8OX 0.03833 0.40491 11.5942
182 3O03 NAP 0.0001349 0.4079 11.6838
183 1A8S PPI 0.003774 0.4225 11.7216
184 1XHL NDP 0.0001946 0.41407 11.7845
185 3H86 AP5 0.002003 0.40521 11.9792
186 3MAG 3MA 0.007453 0.46128 12.0521
187 3MAG SAH 0.000137 0.45088 12.0521
188 1NYT NAP 0.0003164 0.41841 12.1771
189 2GJN FMN 0.001085 0.40188 12.1951
190 3MCT SAH 0.00003403 0.40976 12.4579
191 3F8C HT1 0.006829 0.42896 12.6984
192 3OQJ 3CX 0.03329 0.40054 12.8405
193 3KJQ B94 0.005588 0.41343 13.4146
194 3RF4 FUN 0.0002124 0.48945 13.7931
195 2VBQ BSJ 0.00008629 0.42717 13.9394
196 3S9K CIT 0.006506 0.47004 14.4068
197 1W7J ADP BEF 0.002918 0.41201 15.2318
198 1QO0 BMD 0.01477 0.41894 15.5844
199 1PEA ACM 0.03578 0.4112 15.5844
200 1OAA OAA 0.001128 0.40512 16.6023
201 1YOA FMN 0.02927 0.43651 16.9811
202 1YOA FAD 0.0006414 0.41962 16.9811
203 3A2Y TS5 0.0007397 0.43389 17.2589
204 3SJ7 NDP 0.0001899 0.40909 20.6349
205 4K30 NLG 0.008179 0.41102 21.25
206 2FYU FDN 0.00303 0.40762 24.359
207 2QLX RM4 0.00859 0.43597 29.6296
208 3P3N AKG 0.02457 0.40855 30
209 4WB7 ATP 0.006874 0.40778 30
210 1EZ0 NAP 0.00000001306 0.60386 31.5686
211 1TUV VK3 0.007869 0.45179 32.4561
212 4I3V NAD 0.000000000001266 0.74173 34.0164
213 4OE4 NAD 0.00000000009911 0.59707 34.3103
214 5UCD NAP 0.0006443 0.46845 34.3545
215 2Y5D NAP 0.0000000003958 0.64642 35.206
216 4I9B NAD 0.00000000003263 0.78127 35.3965
217 4I8P NAD 0.00000000000001299 0.83966 37.1154
218 3IWJ NAD 0.00000000001134 0.60676 37.1769
219 3EFV NAD 0.0000000003881 0.66823 37.2294
220 1T90 NAD 0.000000000009984 0.72401 37.2428
221 1KY8 NAP 0.0000000000007109 0.64699 37.3253
222 3RHJ NAP 0.0000000000002708 0.69705 37.911
223 3IWK NAD 0.0000000000505 0.62175 38.3698
224 1O9J NAD 0.0000000000001069 0.79524 39.1218
225 3VZ3 NAP 0.0000000001575 0.66463 39.6061
226 3VZ3 SSN 0.0000000007633 0.6007 39.6061
227 4A0M NAD 0.0000000000002411 0.78514 40.3226
228 2WME NAP 0.000000001636 0.55954 40.6122
229 2WOX NDP 0.0000000000005965 0.77905 40.6953
230 2QE0 NAP 0.0000000000007802 0.79 40.8421
231 3JZ4 NAP 0.00000000003006 0.72677 42.2037
232 2IMP NAI 0.000000006782 0.62779 42.7975
Pocket No.: 3; Query (leader) PDB : 3HAZ; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3haz.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3HAZ; Ligand: NAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3haz.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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