Receptor
PDB id Resolution Class Description Source Keywords
3GMB 2.1 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF 2-METHYL-3-HYDROXYPYRIDINE-5-CARBOXYLIC OXYGENASE MESORHIZOBIUM LOTI FLAVIN MONOOXYGENASE OXIDOREDUCTASE
Ref.: STRUCTURE OF THE PLP DEGRADATIVE ENZYME 2-METHYL-3-HYDROXYPYRIDINE-5-CARBOXYLIC ACID OXYGEN MESORHIZOBIUM LOTI MAFF303099 AND ITS MECHANISTIC IMPLICATIONS. BIOCHEMISTRY V. 48 4139 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:400;
B:400;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3GMB 2.1 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF 2-METHYL-3-HYDROXYPYRIDINE-5-CARBOXYLIC OXYGENASE MESORHIZOBIUM LOTI FLAVIN MONOOXYGENASE OXIDOREDUCTASE
Ref.: STRUCTURE OF THE PLP DEGRADATIVE ENZYME 2-METHYL-3-HYDROXYPYRIDINE-5-CARBOXYLIC ACID OXYGEN MESORHIZOBIUM LOTI MAFF303099 AND ITS MECHANISTIC IMPLICATIONS. BIOCHEMISTRY V. 48 4139 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 3GMB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 3GMB - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 177 families.
1 3GMB - 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3GMB; Ligand: FAD; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3gmb.bio3) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3GMB; Ligand: FAD; Similar sites found: 481
This union binding pocket(no: 2) in the query (biounit: 3gmb.bio3) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3LKZ SFG 0.01556 0.40166 0.934579
2 1O75 PDX PDX 0.01045 0.43989 1.20482
3 2FR1 NDP 0.001266 0.41631 1.23457
4 1KOL NAD 0.0005879 0.42587 1.25628
5 3JQG NAP 0.004793 0.40437 1.38889
6 3JQF NAP 0.003612 0.40416 1.38889
7 5DXA SFG 0.007771 0.40638 1.43266
8 3H9E NAD 0.0001593 0.46656 1.44509
9 5FJN BE2 0.00000006808 0.58375 1.44578
10 5FJN FAD 0.0000000519 0.58348 1.44578
11 2RGH FAD 0.00001206 0.49288 1.44578
12 4HA6 FAD 0.00001014 0.44467 1.44578
13 1SQF SAM 0.006404 0.42241 1.44578
14 4AZT SAM 0.01241 0.40918 1.44578
15 1P77 ATR 0.0001335 0.54169 1.47059
16 5X62 SAH 0.0156 0.40771 1.47783
17 1J0X NAD 0.0004337 0.43882 1.50602
18 1ELI PYC 0.0000574 0.46529 1.54242
19 1QAN SAH 0.009445 0.40555 1.63934
20 1YJQ NAP 0.0006054 0.42548 1.65016
21 1P31 EPU 0.01369 0.40721 1.68675
22 3NDJ JHZ 0.004542 0.40346 1.68675
23 1P3D UMA 0.006769 0.4009 1.68675
24 1PJS NAD 0.00005424 0.40039 1.68675
25 1JQ3 AAT 0.00236 0.40388 1.68919
26 5HJM MTA 0.01426 0.40338 1.70455
27 3LST SAH 0.01879 0.41401 1.72414
28 1RM4 NDP 0.000337 0.4134 1.78042
29 4NTC FAD 0.00000004577 0.58386 1.79104
30 1DXY NAD 0.0003696 0.4065 1.8018
31 2Q1S NAI 0.001041 0.42463 1.85676
32 5UAV NDP 0.001159 0.41517 1.86335
33 5UAV TFB 0.001159 0.41517 1.86335
34 3RFV 15L 0.001581 0.42639 1.87266
35 3RFV NAI 0.001688 0.42234 1.87266
36 4IF4 BEF 0.03781 0.40341 1.92308
37 2CDU FAD 0.00000004583 0.57498 1.92771
38 4MIG G3F 0.0000009345 0.54498 1.92771
39 2CDU ADP 0.000001149 0.43992 1.92771
40 5AYV KPL 0.0003586 0.43236 1.94175
41 5AYV NAP 0.0001832 0.40672 1.94175
42 2I3G NAP 0.0004051 0.43759 1.98864
43 1SB8 UD2 0.007145 0.40008 1.98864
44 4RPL FAD 0.000008947 0.52114 2.00501
45 4RPL 3UC 0.00001771 0.5121 2.00501
46 4JNA FAD 0.00000005712 0.51681 2.05882
47 3L4S NAD 0.0007986 0.41251 2.08333
48 3L4S 3PG 0.0009972 0.41211 2.08333
49 1DSS NAD 0.00004951 0.43275 2.1021
50 2VYN NAD 0.00006227 0.44078 2.1148
51 1GAD NAD 0.0003813 0.40715 2.12121
52 2EG5 SAH 0.01313 0.41812 2.15054
53 1BZL FAD 0.000004915 0.55176 2.16867
54 5WGR FAD 0.00000002113 0.54307 2.16867
55 3OJO NAD 0.000006877 0.53615 2.16867
56 1V8B NAD 0.0004573 0.42983 2.16867
57 1T26 NAI 0.003097 0.40599 2.17391
58 1NYT NAP 0.001225 0.43395 2.21402
59 1KEW NAD 0.003719 0.41015 2.21607
60 1KEW TYD 0.00641 0.4003 2.21607
61 3CIF NAD 0.00009845 0.43458 2.22841
62 3CIF G3H 0.0009733 0.41668 2.22841
63 1BW9 NAD 0.0001337 0.48565 2.24719
64 1BXG NAD 0.0001328 0.42163 2.24719
65 5JY6 NAD 0.002217 0.41788 2.24719
66 1C1X NAD 0.0001056 0.47375 2.25352
67 1EQ2 NAP 0.003813 0.40326 2.25806
68 4NEC SAH 0.006582 0.42899 2.27273
69 3GFB NAD 0.0005727 0.44095 2.28571
70 3WBF NAP 0.002074 0.41605 2.29508
71 1YXM ADE 0.005112 0.4384 2.31023
72 3QJ4 FAD 0.000005752 0.47426 2.33918
73 3WLE NAD 0.001675 0.40936 2.34604
74 3B1J NAD 0.0002474 0.4488 2.35988
75 3B20 NAD 0.0003038 0.40639 2.35988
76 3NYC IAR 0.0000004777 0.45482 2.3622
77 3NYC FAD 0.0000004777 0.45482 2.3622
78 4YCA NDP 0.0001444 0.46829 2.38095
79 2YX1 SFG 0.004228 0.44225 2.38095
80 2VHW NAI 0.0001438 0.44807 2.38727
81 1MO9 FAD 0.0000003631 0.58812 2.40964
82 1MO9 KPC 0.0000003852 0.58794 2.40964
83 1UWK NAD 0.0002135 0.45247 2.40964
84 1UWK URO 0.0002135 0.40031 2.40964
85 4RDH AMP 0.0001905 0.50258 2.43056
86 3JQB NAP 0.003069 0.41205 2.43056
87 3JQA NAP 0.004069 0.40719 2.43056
88 4CMI NAP 0.003748 0.40603 2.43056
89 3BMO NAP 0.003871 0.40548 2.43056
90 3BMQ NAP 0.003399 0.40517 2.43056
91 4CM8 NAP 0.004344 0.40353 2.43056
92 3BMN NAP 0.004074 0.40215 2.43056
93 3JQ8 NAP 0.004309 0.40122 2.43056
94 1E7S NAP 0.001743 0.40092 2.49221
95 1A5Z NAD 0.00001886 0.52245 2.50784
96 3VPH NAD 0.0003575 0.43384 2.58065
97 3VPH OXM 0.0003636 0.42635 2.58065
98 1GUZ NAD 0.0002448 0.41926 2.58065
99 2DFV NAD 0.0002024 0.4186 2.59366
100 2B4R NAD 0.0001117 0.45869 2.6087
101 2B4R AES 0.0002555 0.44827 2.6087
102 1VQW FAD 0.0000004286 0.54057 2.6506
103 2GV8 FAD 0.0000005984 0.53095 2.6506
104 2GVC FAD 0.0000004861 0.5298 2.6506
105 5MBX FAD 0.000003938 0.52701 2.6506
106 5MBX SP5 0.000003938 0.52701 2.6506
107 2XVE FAD 0.00001402 0.51073 2.6506
108 2A8X FAD 0.0000001327 0.49959 2.6506
109 1DJN ADP 0.0000001797 0.49617 2.6506
110 4YNU LGC 0.00002608 0.49017 2.6506
111 4YNU FAD 0.00002002 0.48986 2.6506
112 2GV8 NDP 0.0002002 0.47001 2.6506
113 4RQU NAD 0.0005278 0.43922 2.66667
114 5BVA FAD 0.000000002107 0.63871 2.68949
115 2YVF NAD 0.0000004886 0.56862 2.69608
116 2YVF FAD 0.0000004826 0.56776 2.69608
117 1I8T FAD 0.000003516 0.51117 2.7248
118 3DXY SAM 0.00472 0.44414 2.75229
119 4M52 FAD 0.00000009365 0.50918 2.7897
120 1ZQ9 SAM 0.002184 0.44388 2.80702
121 1EZ4 NAD 0.0004697 0.40329 2.83019
122 3DMH SAM 0.00396 0.42515 2.88714
123 2IZ1 ATR 0.00009737 0.55604 2.89157
124 2GMH FAD 0.000000009876 0.54638 2.89157
125 1FEC FAD 0.0000008083 0.54475 2.89157
126 2XVF FAD 0.000003815 0.50685 2.89157
127 3NKS FAD 0.00000109 0.50388 2.89157
128 1N4W FAD 0.00001528 0.49301 2.89157
129 1ZK7 FAD 0.0000001382 0.48986 2.89157
130 3GDN HBX 0.0000522 0.48084 2.89157
131 3GDN FAD 0.0000385 0.47682 2.89157
132 1E5Q NDP 0.002503 0.41287 2.89157
133 2UYQ SAM 0.02075 0.42301 2.90323
134 2EJU SAH 0.002796 0.43895 2.91005
135 4R5M NAP 0.002756 0.41124 2.92553
136 4MP8 NAD 0.001518 0.41208 2.94985
137 5KMS FAD 0.000003069 0.5087 2.96296
138 5KMS NAD 0.00002018 0.50267 2.96296
139 1W8D NAP 0.005299 0.4106 2.98013
140 1W73 NAP 0.005916 0.40861 2.98013
141 3G2O SAM 0.001391 0.45287 3.01003
142 1P1C SAH 0.001615 0.43543 3.01508
143 4DMG SAM 0.01088 0.42596 3.05344
144 2NU8 COA 0.001403 0.42848 3.09278
145 4OBW SAM 0.01519 0.40512 3.11284
146 1Q1R FAD 0.0000001014 0.53804 3.13253
147 4G74 FAD 0.0000002151 0.53389 3.13253
148 1H82 GZZ 0.000007081 0.52325 3.13253
149 1H82 FAD 0.000005587 0.52223 3.13253
150 4G74 UQ5 0.000000549 0.46691 3.13253
151 3NJ4 NAD 0.003113 0.44311 3.13253
152 3NJ4 AFX 0.006483 0.42962 3.13253
153 1X87 NAD 0.00007977 0.41904 3.13253
154 4HXY NDP 0.0006522 0.41377 3.13253
155 4EUE NAI 0.001607 0.4028 3.13253
156 1Q9I TEO 0.000000001504 0.66136 3.15236
157 1Q9I FAD 0.000000001504 0.49451 3.15236
158 2D2I NAP 0.0003544 0.40031 3.15789
159 1LDN NAD 0.0001965 0.43023 3.16456
160 3GU3 SAH 0.03773 0.40211 3.16901
161 3ZNN FAD 0.000009131 0.51502 3.17003
162 3WGT FAD 0.000002417 0.44721 3.17003
163 3WGT QSC 0.00000505 0.43487 3.17003
164 3ZNN 4WL 0.000009131 0.40778 3.17003
165 2JHF NAD 0.01362 0.42013 3.20856
166 3MQ2 SAH 0.01133 0.41425 3.21101
167 1GV0 NAD 0.0002886 0.42104 3.22581
168 2VDV SAM 0.0009223 0.47458 3.25203
169 1LVL NAD 0.0000001884 0.61579 3.27511
170 1LVL FAD 0.000001101 0.47198 3.27511
171 1O6Z NAD 0.0004395 0.45576 3.30033
172 5JE8 NAD 0.0007835 0.44192 3.31126
173 1U1I NAD 0.00177 0.40606 3.31633
174 1SAY PYR 0.0004539 0.42734 3.3241
175 1VI2 NAD 0.001514 0.44003 3.33333
176 3QWI CUE 0.003899 0.40129 3.33333
177 1LDM NAD 0.000805 0.42917 3.34347
178 1ZMD NAI 0.000002966 0.54121 3.37349
179 1ZMD FAD 0.00000003065 0.51838 3.37349
180 2VVM FAD 0.00001746 0.48696 3.37349
181 2VVL FAD 0.00002356 0.44134 3.37349
182 1OBB NAD 0.002148 0.42699 3.37349
183 3AYI FAD 0.00000619 0.42294 3.37349
184 3AYI HCI 0.000006612 0.41915 3.37349
185 4DSG FAD 0.000005867 0.4 3.37349
186 1YKF NAP 0.003867 0.40302 3.40909
187 4EMI FAD 0.0000001242 0.52931 3.41463
188 4EMI NAD 0.0000003123 0.43442 3.41463
189 3U31 NAD 0.009472 0.40549 3.44828
190 1NPD NAD 0.001216 0.43732 3.47222
191 3QDY A2G GAL 0.03742 0.4066 3.4965
192 4M38 SAH 0.001077 0.45011 3.49854
193 2JCB ADP 0.03359 0.40473 3.5
194 2YY7 NAD 0.0009861 0.40721 3.52564
195 4MO2 FDA 0.0000107 0.47089 3.53261
196 4MO2 FAD 0.0000104 0.46661 3.53261
197 2F1K NAP 0.00006187 0.48311 3.58423
198 2Q1W NAD 0.001327 0.41555 3.6036
199 4OPC FDA 0.00000004196 0.63795 3.61446
200 3NTD FAD 0.0000000184 0.59316 3.61446
201 5U8U FAD 0.000000159 0.59094 3.61446
202 3LAD FAD 0.00000003791 0.58855 3.61446
203 3NT6 FAD 0.00000007434 0.57097 3.61446
204 3NTA FAD 0.00000002572 0.55154 3.61446
205 3G5S FAD 0.0000001902 0.52828 3.61446
206 1REO FAD 0.000001538 0.52437 3.61446
207 2JJQ SAH 0.004607 0.44042 3.61446
208 1RYI FAD 0.0000004398 0.54748 3.66492
209 1RYI GOA 0.001945 0.44452 3.66492
210 2YVJ NAI 0.0000007583 0.60253 3.66972
211 2YVJ FAD 0.0000003271 0.52074 3.66972
212 2CVQ NDP 0.005292 0.40018 3.66972
213 3A27 SAM 0.0007568 0.465 3.67647
214 3FG2 FAD 0.00000003653 0.57964 3.71287
215 2OUA AES 0.02919 0.40689 3.7234
216 3GDH SAH 0.00579 0.409 3.73444
217 4EMJ FAD 0.0000003114 0.51032 3.73832
218 4YMH SAH 0.005446 0.41903 3.75
219 1F8F NAD 0.007056 0.40274 3.77358
220 4REP FAD 0.000003021 0.51359 3.83838
221 3GF4 FAD 0.00002452 0.40424 3.84615
222 4RSL FAD 0.000003485 0.5067 3.85542
223 5HSA FAS 0.00002291 0.48392 3.85542
224 3OND ADN 0.0003718 0.44544 3.85542
225 1COY FAD 0.00002108 0.44243 3.85542
226 1CF2 NAP 0.00005017 0.43756 3.85757
227 1R6D DAU 0.004446 0.40798 3.85757
228 1R6D NAD 0.004661 0.40798 3.85757
229 2Q0L NAP 0.00001831 0.55119 3.85852
230 2Q0L FAD 0.0000001219 0.51083 3.85852
231 1F8G NAD 0.002115 0.43374 3.90625
232 3ESS 18N 0.02437 0.42058 3.91304
233 1HDG NAD 0.0005112 0.44953 3.91566
234 2A92 NAI 0.00179 0.41072 4.04984
235 2B1N LYS ALA SER VAL GLY 0.02175 0.41845 4.06504
236 1LTH NAD 0.0001283 0.47808 4.07523
237 5EZ7 FAD 0.0000003058 0.55014 4.08163
238 2E5V FAD 0.000000001761 0.63988 4.09639
239 1PS9 FAD 0.000000167 0.56305 4.09639
240 5JWC FAD 0.00000006336 0.55882 4.09639
241 1GPE FAD 0.00000143 0.5341 4.09639
242 1RSG FAD 0.000001322 0.53123 4.09639
243 2R4J 13P 0.000002677 0.5312 4.09639
244 1YY5 FAD 0.000001689 0.53004 4.09639
245 2IVD FAD 0.0000005026 0.52049 4.09639
246 2JB2 FAD 0.000008842 0.46324 4.09639
247 2JB2 PHE 0.000009651 0.45748 4.09639
248 1NAA 6FA 0.00000426 0.4533 4.09639
249 5M67 3D1 0.0002566 0.45252 4.09639
250 5M67 ADE 0.0002626 0.45214 4.09639
251 5M67 NAD 0.0002833 0.45089 4.09639
252 1VDC FAD 0.000001768 0.45029 4.09639
253 4MOP 2H5 0.000001248 0.44046 4.09639
254 3WE0 FAD 0.00002079 0.43411 4.09639
255 1GQ2 NAP 0.0007239 0.43388 4.09639
256 2R4J FAD 0.000002677 0.42978 4.09639
257 3K7M FAD 0.000001955 0.42865 4.09639
258 1PS9 NAP 0.00009172 0.42576 4.09639
259 1NAA ABL 0.00000666 0.41514 4.09639
260 5N53 8NB 0.01693 0.43001 4.10256
261 1TDF FAD 0.0000001962 0.56792 4.11392
262 1TDF NAP 0.0000008386 0.5673 4.11392
263 4USR FAD 0.0000006257 0.52583 4.15512
264 3CMC NAD 0.002385 0.42723 4.19162
265 1RP0 AHZ 0.00000008033 0.5519 4.22535
266 1CER NAD 0.000217 0.46115 4.22961
267 3OZ2 FAD 0.0000000004255 0.59411 4.28212
268 1N2X SAM 0.01083 0.40023 4.31894
269 4QTU SAM 0.002316 0.43899 4.32692
270 2AQJ FAD 0.00000001134 0.63 4.33735
271 2AQJ TRP 0.00000001058 0.6299 4.33735
272 4JDR FAD 0.00000002192 0.53395 4.33735
273 5EB4 FAD 0.00001964 0.48508 4.33735
274 5TS5 FAD 0.000001361 0.47951 4.33735
275 2YG3 FAD 0.000006498 0.46271 4.33735
276 3TLJ SAH 0.003087 0.42346 4.33735
277 3G89 SAM 0.000735 0.47939 4.41767
278 3ITJ FAD 0.0000009404 0.45361 4.43787
279 3GGO ENO 0.0006831 0.42932 4.4586
280 3GGO NAI 0.0006831 0.42932 4.4586
281 3BAZ NAP 0.002835 0.41901 4.5045
282 2FZW NAD 0.002775 0.40874 4.55764
283 4AT0 FAD 0.0000001098 0.57884 4.57831
284 3S5W FAD 0.0000003777 0.52421 4.57831
285 4IV9 FAD 0.000007478 0.46154 4.57831
286 1QMG APX 0.00642 0.40992 4.57831
287 3S5W NAP 0.000005839 0.40533 4.57831
288 2G5C NAD 0.0003471 0.41938 4.62633
289 2CDC NAP 0.003812 0.41853 4.64481
290 3QMN A3P 0.01931 0.42708 4.65116
291 1JG3 ADN 0.001128 0.45705 4.68085
292 1C0I FAD 0.0147 0.40984 4.6832
293 1C0I BE2 0.0147 0.40984 4.6832
294 2O4C NAD 0.001239 0.40245 4.73684
295 3A4T SFG 0.003837 0.42253 4.74453
296 3ORF NAD 0.004763 0.40197 4.78088
297 1V59 FAD 0.00000002429 0.60056 4.81928
298 3SQP FAD 0.000002383 0.59133 4.81928
299 2NPX FAD 0.00000008489 0.5402 4.81928
300 1MUU NAD 0.00005894 0.48799 4.81928
301 3SSO SAH 0.0005888 0.46168 4.81928
302 1V59 NAD 0.00000005126 0.45388 4.81928
303 2NPX NAD 0.0000001396 0.44623 4.81928
304 1MV8 NAD 0.00003512 0.43988 4.81928
305 2HMT NAI 0.000007022 0.54102 4.86111
306 3FPZ AHZ 0.002541 0.46188 4.90798
307 3A25 SAM 0.0018 0.44773 4.98339
308 2PV7 NAD 0.000816 0.43486 5.03356
309 4ZCC FAD 0.000008006 0.5119 5.05952
310 4ZCC NAI 0.000008006 0.5119 5.05952
311 4C3Y FAD 0.000000006256 0.61586 5.06024
312 4C3Y ANB 0.00000003733 0.59507 5.06024
313 4KOA NDP 0.006442 0.42577 5.1051
314 1KYQ NAD 0.00002563 0.53817 5.10949
315 1V6A TRE 0.01002 0.44151 5.12048
316 2Q46 NAP 0.00272 0.41146 5.13834
317 3B1F NAD 0.00002812 0.51495 5.17241
318 2OOR NAD 0.001587 0.43914 5.17241
319 1UXG NAD 0.0001071 0.45537 5.17799
320 1HYH NAD 0.0001722 0.45161 5.17799
321 2DT5 NAD 0.0002386 0.45266 5.21327
322 4YUW 4JU 0.01156 0.41463 5.26316
323 4YUW S4M 0.01238 0.41295 5.26316
324 1VE3 SAM 0.009529 0.41447 5.28634
325 5I39 FAD 0.0000002818 0.54979 5.3012
326 1HKU NAD 0.00116 0.42036 5.30726
327 1O94 ADP 0.00000004598 0.62184 5.3125
328 1YKJ FAD 0.000000003651 0.65298 5.32995
329 1YKJ PHB 0.000000003651 0.65298 5.32995
330 2JBH 5GP 0.03222 0.4094 5.33333
331 2XWL CTP 0.01159 0.41379 5.38117
332 4J4H NAI 0.0006004 0.4366 5.40541
333 4J4H 1J1 0.0006004 0.4366 5.40541
334 1I0Z NAI 0.0009442 0.42651 5.40541
335 4JK3 NAD 0.0002398 0.41441 5.40541
336 3MB5 SAM 0.003337 0.42202 5.4902
337 3WV8 ATP 0.00003637 0.41525 5.50459
338 4JJF FE9 0.004464 0.40559 5.52326
339 1GET FAD 0.00000036 0.57799 5.54217
340 1GET NAP 0.0000004052 0.57795 5.54217
341 2ZXI FAD 0.0000001027 0.53747 5.54217
342 2IID PHE 0.000001987 0.42765 5.54217
343 2IID FAD 0.000001987 0.42765 5.54217
344 5JJR SAH 0.01258 0.40891 5.54217
345 1X14 NAD 0.0004348 0.48062 5.73566
346 1E3W NAD 0.0037 0.40376 5.74713
347 2BRY FAD 0.000000002528 0.61062 5.78313
348 4TXI FAD 0.000000001946 0.60889 5.78313
349 1KNR FAD 0.00000002519 0.59174 5.78313
350 3UCL NAP 0.00001104 0.52108 5.78313
351 3UCL FAD 0.000009492 0.52104 5.78313
352 3UCL CYH 0.000009492 0.52104 5.78313
353 3CBG SAH 0.004328 0.43388 5.78313
354 4ISS TAR 0.03439 0.40758 5.78313
355 1WP4 NDP 0.001372 0.42592 5.88235
356 2CVZ NDP 0.002053 0.42182 5.88235
357 1WDK NAD 0.00007326 0.41732 5.89744
358 3V1Y NAD 0.00005099 0.4865 5.93472
359 5JCA NDP 0.00000008411 0.59848 5.98592
360 5JCA FAD 0.00000003112 0.59173 5.98592
361 1PN0 IPH 0.000000001025 0.65719 6.0241
362 1PN0 FAD 0.0000000009278 0.65719 6.0241
363 2C7G ODP 0.000001369 0.54467 6.0241
364 2C7G FAD 0.000001464 0.54467 6.0241
365 5G3U FDA 0.00001878 0.48305 6.0241
366 5G3U ITW 0.00009586 0.46441 6.0241
367 3QFA FAD 0.0000001221 0.50557 6.03448
368 3JV7 NAD 0.003082 0.4068 6.08696
369 1IM8 SAI 0.003527 0.42737 6.14754
370 2NVK FAD 0.00000006294 0.57874 6.26506
371 2WPF FAD 0.000002363 0.56421 6.26506
372 2WPF WPF 0.000002707 0.5638 6.26506
373 1O0S NAI 0.0003629 0.46298 6.26506
374 1YQZ FAD 0.00000009231 0.44589 6.26506
375 1GTE FAD 0.00000006769 0.44407 6.26506
376 1L1E SAH 0.01454 0.40014 6.27178
377 3ABI NAD 0.0001752 0.45455 6.30137
378 5BUK FAD 0.0000000002266 0.67495 6.50602
379 1JNR FAD 0.0000004396 0.58124 6.74699
380 1ZBQ NAD 0.002518 0.40521 6.74699
381 3RNM FAD 0.00000004905 0.51257 6.89655
382 9LDB NAD 0.0003833 0.4385 6.92771
383 9LDT NAD 0.0004132 0.41946 6.92771
384 1FL2 FAD 0.0000002312 0.55461 7.09677
385 1D4D FAD 0.000000003779 0.62751 7.22892
386 2BH9 NAP 0.01433 0.41276 7.22892
387 2HK9 NAP 0.0003551 0.40751 7.27273
388 3QV1 NAD 0.0001195 0.41918 7.31707
389 3VYW SAM 0.006938 0.41438 7.46753
390 4EIP K2C 0.000000001246 0.65068 7.46988
391 4EIP FAD 0.000000001246 0.65068 7.46988
392 3AB1 FAD 0.000000006881 0.55475 7.5
393 5ODQ FAD 0.000000002134 0.55932 7.6087
394 3C7A NAD 0.03088 0.40311 7.67327
395 3HVJ 705 0.001223 0.41551 7.69231
396 4XDY NAI 0.004966 0.40634 7.69231
397 2YYY NAP 0.0006424 0.40805 7.87172
398 1E1M FAD 0.0000001887 0.57653 7.95181
399 1E1M NAP 0.0000001887 0.4554 7.95181
400 2Q7V FAD 0.00000001065 0.54348 8.30769
401 2QA1 FAD 0.000000000069 0.663 8.43373
402 5H81 NAP 0.003084 0.42664 8.48329
403 4YSX FAD 0.000000003944 0.62145 8.51064
404 2NXE SAM 0.007471 0.41933 8.66142
405 3LZW FAD 0.0000000138 0.55896 8.73494
406 3LZW NAP 0.00000007248 0.44921 8.73494
407 2EV9 SKM 0.0002631 0.42921 8.74525
408 2EV9 NAP 0.0002631 0.42921 8.74525
409 3RGG AIR 0.03392 0.40451 8.80503
410 3FUU ADN 0.0008167 0.45935 8.85609
411 3P2E SAH 0.006202 0.41653 8.88889
412 1JAY NAP 0.01138 0.40202 8.96226
413 1WQ1 AF3 0.02779 0.41705 9.03614
414 1J5P NAD 0.001308 0.42673 9.09091
415 1E6E FAD 0.00000006945 0.56842 9.375
416 5UAO FAD 0.00000002166 0.59057 9.39759
417 4UP3 FAD 0.0000001952 0.55894 9.55414
418 4UP3 NDP 0.000008907 0.43928 9.55414
419 4XUC SAM 0.001809 0.40573 9.63303
420 4XUC 43G 0.001809 0.40573 9.63303
421 3QVP FAD 0.000002982 0.51947 9.63855
422 5TUK FAD 0.00000001136 0.55804 9.80392
423 4TM3 FAD 0.000001549 0.55487 9.87952
424 2HQM FAD 0.00000009982 0.50861 9.87952
425 4USQ FAD 0.000001868 0.51316 9.9723
426 5TUF FAD 0.0000000002985 0.66228 10.0245
427 5TUF TDC 0.0000000004646 0.501 10.0245
428 4CS9 AMP 0.008102 0.43492 10.0529
429 1E3I CXF 0.0009465 0.40779 10.1064
430 3L9W AMP 0.000152 0.43499 10.1695
431 3L9W GSH 0.0002983 0.41821 10.1695
432 3KB6 NAD 0.004623 0.40499 10.1796
433 3OFK SAH 0.006965 0.41129 10.1852
434 4J56 FAD 0.000000116 0.49494 10.5263
435 2FKA BEF 0.004594 0.43882 10.8527
436 3QH2 3NM 0.02908 0.4158 10.8597
437 1G6H ADP 0.04486 0.41101 10.8949
438 2F5Z FAD 0.00000004127 0.58879 10.9375
439 1NVM NAD 0.0005614 0.43225 11.3043
440 5GZ6 NDP 0.001077 0.4501 11.3497
441 5GZ6 7C3 0.001885 0.43257 11.3497
442 5E8J SAH 0.005979 0.43488 11.3636
443 2PXX SAH 0.003917 0.42871 11.6279
444 1LSS NAD 0.000002021 0.57035 12.1429
445 1G0N NDP 0.003149 0.40161 12.7208
446 1D1T NAD 0.001571 0.41282 12.7711
447 2RGO FAD 0.000009404 0.49257 12.8501
448 3F8D FAD 0.000003469 0.54276 13.3127
449 1SOW NAD 0.0005626 0.41802 13.4146
450 3KLJ FAD 0.00000003828 0.5789 13.5065
451 4CNK FAD 0.000000005435 0.61254 13.555
452 5JCM ISD 0.0000006804 0.56609 13.7349
453 5JCM FAD 0.0000006412 0.56609 13.7349
454 5JCM NAD 0.0000006804 0.56609 13.7349
455 1PL6 572 0.001016 0.40907 14.0449
456 3EGI ADP 0.00173 0.48195 14.0777
457 1QO8 FAD 0.0000000008404 0.65002 14.6988
458 2DKH 3HB 0.000000007463 0.60939 16.1446
459 2DKH FAD 0.000000003613 0.60501 16.1446
460 3AD8 NAD 0.00000004199 0.57246 16.1616
461 3AD8 FAD 0.000005775 0.53045 16.1616
462 3AD8 PYC 0.000005775 0.53045 16.1616
463 1C3V NDP 0.003239 0.40353 16.7347
464 3IHG FAD 0.0000000005576 0.60841 16.8675
465 3EGV SAH 0.006786 0.42471 17.0068
466 1DCP HBI 0.0177 0.4132 19.2308
467 1Y8Q ATP 0.0004062 0.45719 19.9422
468 3E1T FAD 0.00000000005469 0.60094 22.6506
469 2VOH CIT 0.007895 0.43967 26.9231
470 4II2 ATP 0.0001349 0.48991 28.9157
471 5EVY FAD 0.0000000002316 0.72616 32.4201
472 5EVY SAL 0.0267 0.41893 32.4201
473 4BJZ P3A 0.0000000000311 0.4881 32.5472
474 2RGJ FAD 0.0000000001312 0.66896 34.0796
475 4J36 1HR 0.000000000003971 0.73858 35.1807
476 4J36 FAD 0.00000000001204 0.69337 35.1807
477 2Y6Q FAD 0.0000000000722 0.68516 35.6784
478 2Y6Q I7T 0.0000000003806 0.55898 35.6784
479 5MZI FAD 0.0000000002033 0.69791 36.1446
480 5MZI FYK 0.0000000002212 0.69791 36.1446
481 5EOW FAD 0.000000000003993 0.71714 39.2593
Pocket No.: 3; Query (leader) PDB : 3GMB; Ligand: FAD; Similar sites found: 27
This union binding pocket(no: 3) in the query (biounit: 3gmb.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1SB8 NAD 0.004016 0.4131 1.98864
2 2PZM NAD 0.003391 0.41236 2.12121
3 2PZM UDP 0.003391 0.41236 2.12121
4 4TQG NDP 0.002125 0.40113 2.16718
5 3MJE NDP 0.002313 0.40254 2.16867
6 4CJX NAP 0.0008778 0.40618 2.19436
7 1BXK NAD 0.00132 0.40896 2.25352
8 2HK1 FUD 0.03468 0.40446 2.26537
9 3WBF API 0.001609 0.40269 2.29508
10 2GZ3 NAP 0.007184 0.40392 2.45902
11 1Z45 NAD 0.003146 0.40269 2.6506
12 4J1Q NDP 0.001854 0.40114 2.89157
13 3LU1 NAD 0.003131 0.40031 3.02198
14 1EK6 UPG 0.007891 0.40689 3.16092
15 1EK6 NAI 0.009227 0.40268 3.16092
16 3VY6 BGC BGC 0.006398 0.44577 4.25532
17 3ITJ CIT 0.004344 0.44962 4.43787
18 1ZGS XMM 0.007958 0.4519 5.06024
19 1F06 NDP 0.001772 0.40952 6.25
20 1ZEM NAD 0.001282 0.40316 6.87023
21 3I7V ATP 0.04105 0.40004 8.20895
22 5KKA 6V0 0.001932 0.40945 8.33333
23 2NUO BGC 0.01459 0.41286 9.83607
24 2HYR BGC GLC 0.01561 0.41019 9.83607
25 1G0N PHH 0.00603 0.4007 12.7208
26 1PL6 NAD 0.0001168 0.41334 14.0449
27 1P0F NAP 0.002916 0.40276 17.4263
Pocket No.: 4; Query (leader) PDB : 3GMB; Ligand: FAD; 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: 3gmb.bio2) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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