Receptor
PDB id Resolution Class Description Source Keywords
3MPJ 2.1 Å EC: 1.3.99.7 STRUCTURE OF THE GLUTARYL-COENZYME A DEHYDROGENASE DESULFOCOCCUS MULTIVORANS ALPHA-BETA FOLD OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR PROMOTING AND PREVENTING DECARBOXYLATION IN GLUTARYL-COENZYME A DEHYDROGENAS BIOCHEMISTRY V. 49 5350 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:401;
B:401;
D:401;
E:401;
F:401;
G:401;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
FAD A:400;
B:400;
D:400;
E:400;
F:400;
G:400;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
LYS GLY HIS HIS HIS HIS HIS HIS Y:41;
Valid;
none;
submit data
999.112 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3MPI 2.05 Å EC: 1.3.99.7 STRUCTURE OF THE GLUTARYL-COENZYME A DEHYDROGENASE GLUTARYL- COMPLEX DESULFOCOCCUS MULTIVORANS ALPHA-BETA FOLD DEHYDROGENASE OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR PROMOTING AND PREVENTING DECARBOXYLATION IN GLUTARYL-COENZYME A DEHYDROGENAS BIOCHEMISTRY V. 49 5350 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3MPJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3MPI - GRA C26 H42 N7 O19 P3 S CC(C)(CO[P....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3MPJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3MPI - GRA C26 H42 N7 O19 P3 S CC(C)(CO[P....
50% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1UDY - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3MDE - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
3 3MDD - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
4 4L1F - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
5 2R0N - TGC C25 H40 N7 O19 P3 S2 CC(C)(CO[P....
6 1SIQ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
7 5AHS - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
8 5AF7 - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
9 1EGD - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 3PFD - FDA C27 H35 N9 O15 P2 Cc1cc2c(cc....
11 3GQT - UFO C11 H17 N3 CN1CCN(c2c....
12 3GNC - QQQ C10 H12 N2 O3 S CC(C)n1c2c....
13 1JQI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
14 1BUC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
15 1UKW - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
16 3MPJ - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
17 3MPI - GRA C26 H42 N7 O19 P3 S CC(C)(CO[P....
18 1RX0 - 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: LYS GLY HIS HIS HIS HIS HIS HIS; Similar ligands found: 11
No: Ligand ECFP6 Tc MDL keys Tc
1 LYS GLY HIS HIS HIS HIS HIS HIS 1 1
2 LYS HIS LYS 0.515789 0.857143
3 GLY HIS GLY 0.472527 0.87234
4 LYS GLY GLY ALA ALY ARG HIS ARG LYS ILE 0.44697 0.775862
5 ALA HIS ALA LYS ALA 0.431193 0.857143
6 HIS HIS HIS HIS HIS GLY SER 0.429907 0.843137
7 ALA LYS ARG HIS ARG MLZ VAL LEU ARG ASP 0.427481 0.693548
8 LYS SER HIS GLN GLU 0.42735 0.8
9 GLY SER SER HIS HIS HIS HIS HIS 0.409524 0.781818
10 ALA HIS ALA 0.402062 0.734694
11 ARG HIS LYS ALY LEU MET PHE LYS 0.401408 0.698413
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3MPI; Ligand: GRA; Similar sites found: 322
This union binding pocket(no: 1) in the query (biounit: 3mpi.bio2) has 88 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.02115 0.46467 None
2 1UO4 PIH 0.02974 0.44787 None
3 2E1A MSE 0.01305 0.42754 None
4 3KMZ EQO 0.0001254 0.45392 0.75188
5 1TFZ 869 0.006714 0.4135 1.00756
6 2PP3 LGT 0.02574 0.40317 1.00756
7 3S7O LBV 0.002513 0.40001 1.25945
8 3ZPG 5GP 0.01122 0.46458 1.3089
9 1MOQ GLP 0.01122 0.4081 1.3587
10 1GPJ CIT 0.001952 0.48322 1.51134
11 3O01 DXC 0.02884 0.45858 1.62338
12 1O9U ADZ 0.001646 0.51073 1.71429
13 5RHN 8BR 0.01934 0.40506 1.73913
14 2ZWS PLM 0.008809 0.48769 1.76322
15 4LHM AZZ 0.03361 0.41692 1.76322
16 2BH9 NAP 0.01246 0.4129 1.76322
17 3PC3 P1T 0.01041 0.40325 1.76322
18 3I0O ADP 0.0282 0.40842 1.76991
19 2Y7G AAE 0.01551 0.40901 1.77305
20 3LTW HLZ 0.0127 0.44273 1.78571
21 1DXY COI 0.01638 0.45546 1.8018
22 2R5T ANP 0.01225 0.40061 1.87668
23 3U1T MLI 0.01177 0.45014 1.94175
24 4Q0A 4OA 0.008963 0.41191 1.98676
25 2WA4 069 0.01042 0.42357 2.00573
26 3P3N AKG 0.03152 0.42292 2.00573
27 2YIV YIV 0.02708 0.43703 2.01511
28 1H0C AOA 0.02483 0.43335 2.01511
29 2YIV NBN 0.03405 0.42621 2.01511
30 1PX8 XYP 0.02484 0.42332 2.01511
31 3O2K QRP 0.02111 0.41403 2.01511
32 1E4E PHY 0.001471 0.45083 2.04082
33 1E4E ADP 0.009237 0.4114 2.04082
34 1MZV AMP 0.01311 0.42323 2.12766
35 1LSS NAD 0.01239 0.40043 2.14286
36 1Q11 TYE 0.003879 0.45674 2.15054
37 3E5P PPI 0.04853 0.44822 2.15633
38 2JBH 5GP 0.006672 0.44081 2.22222
39 4P4T GDP 0.01453 0.40371 2.22222
40 2Q8H TF4 0.01523 0.45721 2.267
41 3QV9 QV7 0.01331 0.43648 2.267
42 1YB5 NAP 0.0003965 0.41614 2.2792
43 3DER ALA LYS 0.002887 0.42396 2.31884
44 2C2A ADP 0.01486 0.40647 2.32558
45 1Q7E MET 0.004928 0.40085 2.33645
46 1B5E DCM 0.02019 0.41888 2.43902
47 2RCN GDP 0.02478 0.41093 2.51397
48 2Q09 DI6 0.005965 0.44303 2.51889
49 1WDA BAG 0.02467 0.41489 2.51889
50 1Y42 TYR 0.03395 0.41246 2.51889
51 1K6M AGS 0.009587 0.40458 2.51889
52 3DG6 MUC 0.02464 0.40397 2.51889
53 2Q9U FMN 0.01733 0.40072 2.51889
54 1UCN ADP 0.01545 0.41254 2.63158
55 1JH7 UVC 0.02346 0.42453 2.6455
56 2VDJ HSE 0.006987 0.46856 2.65781
57 1Z41 FMN 0.009101 0.4185 2.66272
58 1Z48 FMN 0.01602 0.40842 2.66272
59 1Z44 FMN 0.02598 0.403 2.66272
60 1EB9 HBA 0.009786 0.42475 2.67176
61 3SHR CMP 0.001011 0.47241 2.67559
62 3CEV ARG 0.004513 0.44853 2.67559
63 1XX4 BAM 0.01732 0.45411 2.68199
64 3CQ5 PMP 0.02356 0.41581 2.71003
65 3HB5 E2B 0.002821 0.41473 2.75229
66 4F8L GAL 0.01051 0.48305 2.75862
67 1YHM AHD 0.002038 0.4758 2.76243
68 2Q37 3AL 0.002718 0.46978 2.76243
69 2Q28 ADP 0.001684 0.43632 2.77078
70 3BK2 U5P 0.01831 0.41299 2.77078
71 4DYO SD4 0.03105 0.41029 2.77078
72 2YP9 SIA CMO 0.0202 0.40268 2.77078
73 4QED NAP 0.001938 0.40607 2.82258
74 1A59 CIT 0.03227 0.42742 2.91005
75 3I5C C2E 0.005921 0.47221 2.91262
76 1KYQ NAD 0.006125 0.41835 2.91971
77 3MAG 3MA 0.006919 0.48457 2.9316
78 1QZZ SAM 0.0017 0.45273 2.94118
79 3K3G MMU 0.008607 0.44304 2.94118
80 1ZS6 ADP 0.008413 0.43623 2.95858
81 4L6C 0BT 0.009725 0.40146 2.9703
82 3V1V GST 0.002806 0.43537 3.00231
83 1X92 M7P 0.02511 0.40704 3.01508
84 4M51 BEZ 0.001099 0.51135 3.02267
85 2IZ1 ATR 0.004215 0.4666 3.02267
86 3GTD MLI 0.01827 0.42982 3.02267
87 3HYW DCQ 0.0345 0.42434 3.02267
88 2NCD ADP 0.02471 0.42344 3.02267
89 4C2G ALA ALA ALA ALA 0.01942 0.41965 3.02267
90 1U5R ATP 0.01212 0.4134 3.02267
91 1XIU REA 0.0007062 0.45921 3.04348
92 3EJ0 11X 0.01096 0.43804 3.06122
93 1VE3 SAM 0.00761 0.41468 3.0837
94 2WUF KEM 0.005011 0.40894 3.09278
95 3EE4 MYR 0.006562 0.41071 3.09598
96 1A27 EST 0.001117 0.4557 3.11419
97 1Y9Q MED 0.01194 0.44407 3.125
98 2F59 INI 0.008519 0.41277 3.18471
99 3MTW M3R 0.0009922 0.4578 3.27456
100 2ZJ5 ADP 0.0143 0.43498 3.27456
101 3ZUY TCH 0.03473 0.40437 3.27456
102 3SIX GDP 0.007861 0.42885 3.33333
103 4JP3 CIT 0.01463 0.41721 3.34728
104 4BG1 OGA 0.004784 0.41581 3.35917
105 4BG1 IVL 0.004784 0.41581 3.35917
106 3TFC PEP 0.01138 0.43484 3.37662
107 1WNG SAH 0.002017 0.43334 3.39623
108 2QCX PF1 0.01249 0.43782 3.42205
109 2FR6 CTN 0.002059 0.43677 3.42466
110 2FR6 URI 0.007178 0.41567 3.42466
111 3OCZ SRA 0.02049 0.40087 3.43511
112 4HZO COA 0.01779 0.42572 3.45912
113 2PVQ GSH 0.01411 0.40737 3.48259
114 4LIT AKG 0.002453 0.47193 3.52645
115 1H16 DTL 0.03955 0.43403 3.52645
116 1H16 PYR 0.03263 0.41807 3.52645
117 1E5F PLP 0.02333 0.40171 3.52645
118 1SQ5 PAU 0.01509 0.42909 3.57143
119 1SQ5 ADP 0.02197 0.40956 3.57143
120 3ZF8 GDP 0.02931 0.40767 3.60656
121 4J7H TLO 0.005257 0.41429 3.60934
122 4J7H TRH 0.007499 0.41167 3.60934
123 2DWU DGL 0.01092 0.43108 3.62319
124 4B9E FAH 0.0165 0.44255 3.65448
125 2F2U M77 0.00859 0.43137 3.73134
126 4B16 NAG 0.0007692 0.53949 3.7594
127 2BO4 FLC 0.004832 0.47006 3.77834
128 4IHQ ADP 0.01002 0.43277 3.77834
129 1C7S CBS 0.007844 0.42889 3.77834
130 2CE7 ADP 0.01254 0.41634 3.77834
131 2ORV 4TA 0.002597 0.41598 3.77834
132 1QS8 IVA VAL VAL STA ALA STA 0.005508 0.41045 3.77834
133 2PR5 FMN 0.009755 0.41047 3.78788
134 2Z1U ATP 0.01832 0.40603 3.79009
135 1B63 ANP 0.008184 0.40419 3.9039
136 1SS4 GSH 0.0073 0.4963 3.92157
137 1SS4 CIT 0.02525 0.44296 3.92157
138 2YLD CMO 0.01058 0.44669 3.93701
139 1XE7 GUN 0.03221 0.43904 3.94089
140 4RJK PYR 0.01086 0.45831 4.03023
141 1KTC NGA 0.00757 0.44315 4.03023
142 4WVH ASP HIS ASP ALA HIS ALA 0.008279 0.43655 4.03023
143 4RJK TDL 0.001042 0.41451 4.03023
144 2BII MTV 0.003892 0.41284 4.03023
145 1P1M MET 0.008518 0.40356 4.03023
146 3TKA CTN 0.0008921 0.54457 4.03458
147 3TKA SAM 0.004119 0.41822 4.03458
148 2EB5 OXL 0.04462 0.41527 4.11985
149 1SJW NGV 0.02325 0.40177 4.16667
150 1XX6 ADP 0.02416 0.41142 4.18848
151 3BY8 MLT 0.01206 0.44958 4.22535
152 1Y2W NAG 0.03187 0.42267 4.22535
153 2ZSC BTN 0.001419 0.45602 4.25532
154 1GJW GLC 0.005475 0.46727 4.28212
155 1GJW MAL 0.01491 0.42076 4.28212
156 4JWX 1N4 0.001141 0.48156 4.28571
157 4C6F NCD 0.01202 0.4249 4.3257
158 4C6F DOR 0.01202 0.4249 4.3257
159 3DGB MUC 0.03366 0.4015 4.45026
160 3B6O TMP 0.02222 0.4376 4.45344
161 2JFV FLC 0.01408 0.44048 4.46735
162 1EYQ NAR 0.005913 0.4432 4.5045
163 4JEJ 1GP 0.01755 0.41379 4.5082
164 3SQG COM 0.004439 0.49568 4.53401
165 3SQG TP7 0.001414 0.45153 4.53401
166 3I8P 840 0.005832 0.42641 4.53401
167 2YFT DQR 0.01642 0.40799 4.53401
168 1SC3 MLI 0.03319 0.43226 4.54545
169 3F8C HT1 0.002666 0.47019 4.7619
170 2B7N NTM 0.007304 0.44908 4.7619
171 2YCD GTB 0.02012 0.41122 4.78261
172 2GWD GLU 0.03641 0.4071 4.78589
173 4JCA CIT 0.005282 0.49133 4.79042
174 4EXO PYR 0.004873 0.4769 4.79452
175 3U7Y FLC 0.01223 0.48752 4.80349
176 2VHJ ADP 0.002209 0.43184 4.83384
177 1F5F DHT 0.0008064 0.45692 4.87805
178 3D3H M4O 0.002808 0.43937 5
179 2NVK NAP 0.01102 0.43551 5.03778
180 3KMT SAH 0.0149 0.41319 5.04202
181 1I0Z OXM 0.01737 0.45403 5.1051
182 2O4J VD4 0.004257 0.40297 5.13699
183 1UJ2 ADP 0.005543 0.40179 5.15873
184 3RF4 FUN 0.01118 0.43521 5.17241
185 3EW2 BTN 0.01858 0.42053 5.18518
186 2YDW WSH 0.01292 0.42352 5.22876
187 3TDC 0EU 0.003854 0.51064 5.28967
188 2QF7 COA 0.02656 0.40259 5.28967
189 4G28 0W8 0.006859 0.44027 5.36913
190 3QXC ATP 0.005358 0.40229 5.3719
191 1V6A TRE 0.0393 0.41359 5.42169
192 1Y1A GSH 0.008462 0.48613 5.46448
193 3UEC ALA ARG TPO LYS 0.03253 0.42724 5.47945
194 2Z9C FMN 0.002802 0.42792 5.5
195 1N9L FMN 0.00393 0.42585 5.50459
196 3HAZ FAD 0.001842 0.40416 5.54156
197 2QLX RM4 0.02854 0.4302 5.55556
198 4OB6 S2T 0.01136 0.41455 5.57185
199 3R51 MMA 0.003355 0.49363 5.625
200 1G8S MET 0.006811 0.45622 5.65217
201 1BTN I3P 0.01114 0.49034 5.66038
202 3GM5 CIT 0.009363 0.44933 5.66038
203 1E1O LYS 0.004618 0.40449 5.79345
204 4IMG NGF 0.006887 0.41308 5.80205
205 1NNS ASP 0.004586 0.44342 5.82822
206 1ZJ6 G3D 0.02972 0.40386 5.88235
207 4IXW IXW 0.04439 0.40312 5.90551
208 3S9K CIT 0.004965 0.50974 5.9322
209 2YNM PMR 0.005612 0.40435 5.98007
210 4E13 NAD 0.001316 0.43661 6.00707
211 3QP4 HL0 0.005696 0.42682 6.04396
212 1NVV GNP 0.001901 0.4176 6.04534
213 2BZ1 TAU 0.04714 0.44342 6.12245
214 2RHQ GAX 0.003747 0.41652 6.12245
215 3BRE C2E 0.001557 0.51524 6.14525
216 1LNX URI 0.04245 0.40784 6.17284
217 1RZM E4P 0.002861 0.48177 6.21302
218 1RZM PEP 0.01948 0.42386 6.21302
219 1S8F GDP 0.002938 0.40834 6.21469
220 4K30 NLG 0.00489 0.45203 6.25
221 2HFK E4H 0.023 0.42047 6.26959
222 3QDY CBS 0.008889 0.45643 6.29371
223 3QDY A2G GAL 0.01281 0.45448 6.29371
224 3QDT A2G GAL 0.02986 0.43474 6.29371
225 2Y7P SAL 0.01317 0.43186 6.42202
226 1Q3P GLU ALA GLN THR ARG LEU 0.01951 0.40491 6.42202
227 4COQ SAN 0.02811 0.42543 6.47773
228 2Q1A 2KT 0.01248 0.44311 6.48464
229 1FBL HTA 0.001539 0.46436 6.48649
230 1TV5 N8E 0.008693 0.49459 6.54912
231 2JC9 ADN 0.003098 0.4613 6.54912
232 4WBD ADP 0.007747 0.45951 6.54912
233 4WBD CIT 0.03635 0.43012 6.54912
234 3GJB AKG 0.01629 0.42315 6.58307
235 3CF6 SP1 0.02499 0.40047 6.58683
236 2O66 FLC 0.02631 0.42211 6.66667
237 1KYZ SAH 0.00863 0.41255 6.84932
238 2Z9V PXM 0.007057 0.44457 6.88775
239 2V5E SCR 0.007169 0.48368 6.93069
240 2BES RES 0.02073 0.41066 6.97674
241 1NXJ GLV 0.03184 0.40979 7.10383
242 1NXJ TLA 0.01965 0.40317 7.10383
243 1NHZ 486 0.007737 0.40508 7.14286
244 3RK0 AMP 0.007991 0.42855 7.173
245 4PPU TYR 0.01036 0.43676 7.19424
246 2GJN NIS 0.003274 0.40407 7.31707
247 2GJN FMN 0.005672 0.40145 7.31707
248 1ECM TSA 0.01011 0.4326 7.33945
249 2VAR AMP 0.003423 0.44904 7.34824
250 2VAR KDG 0.004227 0.44045 7.34824
251 2VAR KDF 0.01578 0.41579 7.34824
252 2WMO GTP 0.0298 0.40047 7.36842
253 3MD0 GDP 0.04026 0.40508 7.60563
254 2W3L DRO 0.005936 0.47992 7.63889
255 1TH8 ADP 0.009659 0.42912 7.75862
256 3IPQ 965 0.002338 0.40351 7.80856
257 1EYE PMM 0.007847 0.42889 7.85714
258 4N7C AEF 0.01528 0.44428 7.95455
259 1DQE BOM 0.02226 0.41004 8.0292
260 1GU3 BGC BGC BGC BGC BGC 0.01366 0.43112 8.05369
261 4LO6 SIA GAL 0.02392 0.43699 8.06045
262 2Q8M AMP 0.005971 0.434 8.06045
263 2OWZ CIT 0.02413 0.42875 8.06045
264 2Q8M FBP 0.007769 0.42131 8.06045
265 1T0S BML 0.001726 0.50091 8.13953
266 3F81 STT 0.004023 0.48927 8.19672
267 1UF5 CDT 0.0187 0.41637 8.25082
268 2FOI JPA 0.02724 0.4091 8.33333
269 3P7I P7I 0.01207 0.43365 8.56423
270 2HHP FLC 0.04811 0.4319 8.56423
271 1ZZ7 S0H 0.0005147 0.49771 8.58586
272 3SCH TB6 0.04569 0.41475 8.58586
273 4W6Z ETF 0.03946 0.43409 8.64553
274 1UW1 ADP 0.01343 0.43629 8.75
275 1FW1 GSH 0.02776 0.40178 8.7963
276 1YOA FMN 0.04467 0.44485 8.80503
277 3PMD 11A 0.01528 0.42028 9.15033
278 2EJU SAH 0.005629 0.41978 9.3199
279 1H8G CHT 0.01441 0.47478 9.47368
280 4NAO AKG 0.004487 0.47172 9.57179
281 3CH5 GDP 0.005797 0.43455 9.61539
282 1PU7 39A 0.02108 0.40571 9.63303
283 3SJ0 DXC 0.03665 0.42453 9.85915
284 1Y7P RIP 0.01102 0.45798 9.86547
285 1W7J ADP BEF 0.01587 0.40533 9.93377
286 2IYG FMN 0.002893 0.44753 10.4839
287 4F4S EFO 0.006688 0.44567 10.5263
288 1YRX FMN 0.008361 0.42374 10.7438
289 1LYX PGA 0.01762 0.41012 10.8871
290 2C5S AMP 0.02741 0.41278 11.335
291 3NOJ PYR 0.04142 0.41037 11.3445
292 1CKM GTP 0.008232 0.41013 11.5152
293 3KJQ B94 0.03638 0.40003 11.5854
294 1WKL ATP 0.007133 0.41577 11.6788
295 3CR4 PNT 0.01423 0.42165 11.9565
296 2VPR TDC 0.01904 0.40534 12.0773
297 4M5P MLA 0.002072 0.51474 12.3426
298 4M5P 23W 0.04601 0.42456 12.3426
299 1Y75 NAG 0.01281 0.42792 12.7119
300 1QO0 BMD 0.01435 0.44007 12.7551
301 1OGD RIP 0.01004 0.4374 12.9771
302 3A2Y TS5 0.01634 0.40482 13.198
303 2P8O BVA 0.01957 0.40167 14.5038
304 1RYI GOA 0.01578 0.47183 14.6096
305 1Q6O LG6 0.005291 0.42813 14.8148
306 2JAR UMP 0.01247 0.40631 15
307 1C1L GAL BGC 0.0122 0.44934 15.3285
308 4KCT PYR 0.004002 0.4509 15.3652
309 2HNK SAH 0.01041 0.40624 16.318
310 1TUV VK3 0.04694 0.42983 16.6667
311 2XN5 FUN 0.02712 0.42478 17.1429
312 1NU4 MLA 0.04511 0.43727 18.5567
313 2YYJ FAD 0.0000341 0.48046 18.6398
314 2YYJ 4HP 0.0001236 0.40549 18.6398
315 2DDH FAD 0.000000009518 0.63164 22.67
316 2DDH HXD 0.000008825 0.56569 22.67
317 4CCO OGA 0.009413 0.43871 25
318 1W07 FAD 0.0005357 0.43893 25.4408
319 3MKH FAD 0.001644 0.42303 29.471
320 3DJL FAD 0.000000005806 0.62407 32.7456
321 4KCF FMN 0.00003494 0.55992 38.2872
322 1R2J FAD 0.000000003689 0.75945 48.0874
Pocket No.: 2; Query (leader) PDB : 3MPI; Ligand: FAD; Similar sites found: 154
This union binding pocket(no: 2) in the query (biounit: 3mpi.bio2) has 71 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO4 PIH 0.04264 0.42496 None
2 3ZPG 5GP 0.005853 0.46458 1.3089
3 1GPJ CIT 0.01294 0.4274 1.51134
4 1O9U ADZ 0.005688 0.46524 1.71429
5 4LHM AZZ 0.01083 0.42574 1.76322
6 3LTW HLZ 0.003081 0.45706 1.78571
7 1PEA ACM 0.03958 0.4143 1.81818
8 1A8S PPI 0.01269 0.40692 1.8315
9 3U1T MLI 0.02462 0.41926 1.94175
10 2WA4 069 0.01165 0.40647 2.00573
11 2YIV YIV 0.008275 0.44929 2.01511
12 2YIV NBN 0.0207 0.423 2.01511
13 3O2K QRP 0.01233 0.40946 2.01511
14 1MZV AMP 0.02016 0.40044 2.12766
15 1Q11 TYE 0.0113 0.41994 2.15054
16 4E28 9MZ 0.009565 0.43367 2.15385
17 2JBH 5GP 0.02242 0.40242 2.22222
18 2Q8H TF4 0.01602 0.44129 2.267
19 3QV9 QV7 0.01354 0.42126 2.267
20 1B5E DCM 0.01081 0.41618 2.43902
21 2RCN GDP 0.01539 0.4054 2.51397
22 1T10 F6P 0.01146 0.4246 2.51889
23 1Y42 TYR 0.01173 0.41922 2.51889
24 3DG6 MUC 0.006282 0.41334 2.51889
25 1JH7 UVC 0.009626 0.42809 2.6455
26 2VDJ HSE 0.0171 0.43313 2.65781
27 3SHR CMP 0.004061 0.42972 2.67559
28 3CQ5 PMP 0.02059 0.40403 2.71003
29 4F8L GAL 0.03857 0.43492 2.75862
30 1YHM AHD 0.02299 0.41061 2.76243
31 2Q37 3AL 0.02946 0.4056 2.76243
32 3A1I UNU 0.01077 0.41193 2.77078
33 1A59 CIT 0.03802 0.40984 2.91005
34 1WGC SIA GAL BGC 0.01324 0.4534 2.92398
35 3MAG 3MA 0.0227 0.44034 2.9316
36 3K3G MMU 0.009277 0.42626 2.94118
37 3KO0 TFP 0.03405 0.41819 2.9703
38 3V1V GST 0.003263 0.41651 3.00231
39 3GTD MLI 0.0009614 0.47408 3.02267
40 2IZ1 ATR 0.0171 0.42162 3.02267
41 4C2G ALA ALA ALA ALA 0.0123 0.41376 3.02267
42 2NCD ADP 0.02355 0.41013 3.02267
43 1Y9Q MED 0.005784 0.44407 3.125
44 2ZJ5 ADP 0.01178 0.42405 3.27456
45 3MTW M3R 0.01078 0.40039 3.27456
46 9LDT OXM 0.04132 0.42573 3.31325
47 4JP3 CIT 0.00296 0.43076 3.34728
48 2ZYF AKG 0.02297 0.40196 3.40314
49 2QCX PF1 0.01638 0.41744 3.42205
50 1H16 PYR 0.0145 0.4368 3.52645
51 4LIT AKG 0.01281 0.42237 3.52645
52 1SQ5 PAU 0.01854 0.41031 3.57143
53 2DWU DGL 0.01919 0.40536 3.62319
54 4B9E FAH 0.004946 0.4537 3.65448
55 2F2U M77 0.0155 0.40527 3.73134
56 4B16 NAG 0.0003688 0.53949 3.7594
57 1V7R CIT 0.04523 0.42352 3.76344
58 2BO4 FLC 0.005998 0.44957 3.77834
59 4DN8 BMA 0.03058 0.40951 3.84615
60 1SS4 GSH 0.004071 0.4963 3.92157
61 2YLD CMO 0.006592 0.44136 3.93701
62 1XE7 GUN 0.009613 0.45312 3.94089
63 4RJK PYR 0.02005 0.45159 4.03023
64 4WVH ASP HIS ASP ALA HIS ALA 0.004802 0.43143 4.03023
65 1KTC NGA 0.01489 0.41459 4.03023
66 3TKA CTN 0.0026 0.50556 4.03458
67 2EB5 OXL 0.002259 0.46346 4.11985
68 4AF5 CIT 0.02684 0.41224 4.21053
69 3BY8 MLT 0.001168 0.48452 4.22535
70 1Y2W NAG 0.04307 0.40232 4.22535
71 1HQL GLA MBG 0.0436 0.40615 4.28016
72 1GJW GLC 0.0204 0.42331 4.28212
73 4JWX 1N4 0.008597 0.42525 4.28571
74 3IX1 NFM 0.04047 0.40897 4.30464
75 2JFV FLC 0.03447 0.407 4.46735
76 3SQG COM 0.01773 0.44633 4.53401
77 3SQG TP7 0.004114 0.41658 4.53401
78 3I8P 840 0.004209 0.41619 4.53401
79 1SC3 MLI 0.03559 0.4167 4.54545
80 1ULE GLA GAL NAG 0.004425 0.46318 4.66667
81 4JCA CIT 0.013 0.45385 4.79042
82 3U7Y FLC 0.002385 0.51068 4.80349
83 3E81 SLB 0.03608 0.4015 4.87805
84 1MXI SAH 0.006023 0.40298 5
85 1I0Z OXM 0.01023 0.45169 5.1051
86 2WGC SIA GAL BGC 0.04588 0.43047 5.26316
87 1V6A TRE 0.03371 0.40288 5.42169
88 1Y1A GSH 0.01423 0.46586 5.46448
89 3UEC ALA ARG TPO LYS 0.03219 0.41346 5.47945
90 2Z9C FMN 0.002235 0.41504 5.5
91 3R51 MMA 0.001659 0.49363 5.625
92 1G8S MET 0.002519 0.46121 5.65217
93 1BTN I3P 0.0002161 0.5704 5.66038
94 3GM5 CIT 0.03217 0.40845 5.66038
95 3S9K CIT 0.01125 0.46103 5.9322
96 3BRE C2E 0.03825 0.40482 6.14525
97 1RZM E4P 0.0052 0.45263 6.21302
98 1RZM PEP 0.02848 0.40193 6.21302
99 4K30 NLG 0.01284 0.41746 6.25
100 2HFK E4H 0.008504 0.42546 6.26959
101 3QDT A2G GAL 0.01321 0.43888 6.29371
102 3QDY CBS 0.03751 0.41014 6.29371
103 4COQ SAN 0.01395 0.42584 6.47773
104 2Q1A 2KT 0.02045 0.4179 6.48464
105 4WBD CIT 0.01359 0.43825 6.54912
106 2JC9 ADN 0.01726 0.41171 6.54912
107 2O66 FLC 0.02819 0.4065 6.66667
108 2Z9V PXM 0.01242 0.41812 6.88775
109 2V5E SCR 0.03752 0.4281 6.93069
110 4E1M TQ2 0.01899 0.40154 7.22892
111 2OG2 MLI 0.0407 0.40794 7.24234
112 2VAR KDG 0.00455 0.42315 7.34824
113 2VAR AMP 0.008256 0.41679 7.34824
114 2W3L DRO 0.007451 0.45901 7.63889
115 1TH8 ADP 0.006873 0.42013 7.75862
116 4N7C AEF 0.04321 0.40706 7.95455
117 3TUR DGL 0.03264 0.41406 8.01394
118 2OWZ CIT 0.01212 0.42875 8.06045
119 4LO6 SIA GAL 0.04029 0.41118 8.06045
120 2Q8M AMP 0.01562 0.40125 8.06045
121 1T0S BML 0.0008057 0.50091 8.13953
122 3F81 STT 0.002005 0.48927 8.19672
123 1UF5 CDT 0.01079 0.41189 8.25082
124 1ZZ7 S0H 0.01068 0.42104 8.58586
125 1UW1 ADP 0.007742 0.43245 8.75
126 1YOA FMN 0.008576 0.47308 8.80503
127 1H8G CHT 0.01237 0.46383 9.47368
128 2XDQ MGX 0.03137 0.42565 9.57179
129 3CH5 GDP 0.003913 0.42582 9.61539
130 1PU7 39A 0.04181 0.42077 9.63303
131 3SJ0 DXC 0.01928 0.42453 9.85915
132 1Y7P RIP 0.008516 0.43607 9.86547
133 1JN2 SFP 0.0007311 0.53196 10.1266
134 4F4S EFO 0.01201 0.41876 10.5263
135 3NOJ PYR 0.03004 0.40301 11.3445
136 4M5P MLA 0.001034 0.51474 12.3426
137 4M5P 23W 0.02908 0.42124 12.3426
138 1Y75 NAG 0.02111 0.40356 12.7119
139 1W3R PYR 0.01137 0.44223 12.963
140 1OGD RIP 0.02244 0.4066 12.9771
141 2VKL MLT 0.007981 0.46561 14.4444
142 1NU4 MLA 0.02576 0.43727 18.5567
143 2YYJ FAD 0.00002181 0.46369 18.6398
144 2YYJ 4HP 0.0001106 0.44741 18.6398
145 2BOI MFU 0.02301 0.40611 21.2389
146 2DDH FAD 0.000000001585 0.63164 22.67
147 2DDH HXD 0.00001409 0.53472 22.67
148 1W07 FAD 0.0001484 0.43893 25.4408
149 3MKH FAD 0.001067 0.4128 29.471
150 3DJL FAD 0.000000001236 0.61666 32.7456
151 3KPE TM3 0.0147 0.42476 37.2549
152 4KCF FMN 0.00005312 0.53056 38.2872
153 2C0U FAD NBT 0.00204 0.40512 40.0504
154 1R2J FAD 0.0000000008953 0.75945 48.0874
Pocket No.: 3; Query (leader) PDB : 3MPI; Ligand: GRA; 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: 3mpi.bio2) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3MPI; 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: 3mpi.bio2) has 70 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3MPI; Ligand: FAD; 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: 3mpi.bio1) has 69 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3MPI; Ligand: GRA; Similar sites found: 29
This union binding pocket(no: 6) in the query (biounit: 3mpi.bio1) has 87 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1DBT U5P 0.04187 0.40327 0.83682
2 3ULK NDP 0.01854 0.40989 1.00756
3 3JQ3 ADP 0.01501 0.43955 1.63934
4 1PEA ACM 0.02096 0.46152 1.81818
5 2CFU 1DB 0.01871 0.41239 2.01511
6 3PXP MYR 0.0366 0.40852 2.05479
7 1UOU CMU 0.04847 0.40891 2.267
8 3L6R MLI 0.04077 0.43978 2.60116
9 3A1I UNU 0.04799 0.41551 2.77078
10 1F1V DHY 0.008525 0.4556 3.09598
11 2ZJF BSU 0.04578 0.41649 3.31492
12 2CJE DUN 0.02849 0.40763 3.35821
13 3D2Y AH0 ALA FGA LYS 0.0213 0.41569 3.83142
14 1ULE GLA GAL NAG 0.01257 0.47406 4.66667
15 3KO8 NAD 0.002585 0.41831 4.80769
16 1MXI SAH 0.02359 0.41382 5
17 3I51 45C 0.004716 0.45877 5.18518
18 2WGC SIA GAL BGC 0.00698 0.51366 5.26316
19 4U9W COA 0.02506 0.41564 5.31401
20 3E6J DR2 0.04972 0.44892 5.67686
21 2YHW BM3 0.009333 0.40417 6.12245
22 3M31 FAD 0.005357 0.42811 6.80101
23 4PTZ FMN 0.01353 0.42716 7.32984
24 1T0I FMN 0.02597 0.41206 7.8534
25 1JN2 SFP 0.01983 0.46916 10.1266
26 4M5P FMN 0.01527 0.41594 12.3426
27 1W3R PYR 0.04489 0.44269 12.963
28 1EJE FMN 0.03998 0.40412 21.3542
29 3D9F FAD 0.004652 0.40049 40.3023
Pocket No.: 7; Query (leader) PDB : 3MPI; Ligand: FAD; Similar sites found: 22
This union binding pocket(no: 7) in the query (biounit: 3mpi.bio1) has 70 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5RHN 8BR 0.007343 0.43343 1.73913
2 1DXY COI 0.008161 0.48331 1.8018
3 4Q0A 4OA 0.02095 0.40788 1.98676
4 3E5P PPI 0.04669 0.4588 2.15633
5 1CTU ZEB 0.02442 0.40809 2.38095
6 3L6R MLI 0.01042 0.46375 2.60116
7 4HZO COA 0.04435 0.41679 3.45912
8 3L24 GOA 0.03954 0.44398 3.52645
9 1SS4 CIT 0.01847 0.45803 3.92157
10 4JEJ 1GP 0.03752 0.40942 4.5082
11 1F5F DHT 0.006752 0.43135 4.87805
12 3I51 45C 0.03615 0.41015 5.18518
13 4G28 0W8 0.03245 0.41949 5.36913
14 2BZ1 TAU 0.02808 0.46737 6.12245
15 2Y7P SAL 0.02652 0.42776 6.42202
16 4WBD ADP 0.03042 0.43888 6.54912
17 1CBF SAH 0.02385 0.41161 6.66667
18 3RK0 AMP 0.02594 0.41667 7.173
19 1LYX PGA 0.01991 0.41831 10.8871
20 3A2Y TS5 0.02942 0.40469 13.198
21 2HNK SAH 0.02371 0.40287 16.318
22 1EJE FMN 0.02423 0.40529 21.3542
Pocket No.: 8; Query (leader) PDB : 3MPI; Ligand: GRA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3mpi.bio1) has 87 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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