Receptor
PDB id Resolution Class Description Source Keywords
1BUC 2.5 Å EC: 1.3.99.2 THREE-DIMENSIONAL STRUCTURE OF BUTYRYL-COA DEHYDROGENASE FRO MEGASPHAERA ELSDENII MEGASPHAERA ELSDENII ACYL-COA DEHYDROGENASE SHORT-CHAIN ACYL-COA DEHYDROGENASE FLAVOPROTEIN OXIDOREDUCTASE
Ref.: THREE-DIMENSIONAL STRUCTURE OF BUTYRYL-COA DEHYDROG FROM MEGASPHAERA ELSDENII. BIOCHEMISTRY V. 34 2163 1995
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CAA A:384;
B:384;
Valid;
Valid;
none;
none;
submit data
851.607 C25 H40 N7 O18 P3 S CC(=O...
FAD A:385;
B:385;
Valid;
Valid;
none;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1BUC 2.5 Å EC: 1.3.99.2 THREE-DIMENSIONAL STRUCTURE OF BUTYRYL-COA DEHYDROGENASE FRO MEGASPHAERA ELSDENII MEGASPHAERA ELSDENII ACYL-COA DEHYDROGENASE SHORT-CHAIN ACYL-COA DEHYDROGENASE FLAVOPROTEIN OXIDOREDUCTASE
Ref.: THREE-DIMENSIONAL STRUCTURE OF BUTYRYL-COA DEHYDROG FROM MEGASPHAERA ELSDENII. BIOCHEMISTRY V. 34 2163 1995
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1BUC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 4L1F - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 1BUC - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
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: CAA; Similar ligands found: 140
No: Ligand ECFP6 Tc MDL keys Tc
1 CAA 1 1
2 MLC 0.912 0.988506
3 1VU 0.880952 0.977273
4 ACO 0.879032 0.977273
5 1HE 0.867188 0.966292
6 3HC 0.867188 1
7 BCO 0.867188 0.988506
8 IVC 0.867188 1
9 SCA 0.853846 0.988506
10 3KK 0.850394 0.988506
11 COS 0.848 0.965909
12 CAO 0.848 0.955056
13 HGG 0.847328 0.988506
14 2MC 0.844961 0.945055
15 SOP 0.84375 0.965909
16 OXK 0.84375 0.988506
17 FAQ 0.840909 0.988506
18 CO6 0.837209 0.988506
19 HXC 0.834586 0.966292
20 GRA 0.834586 0.988506
21 TGC 0.828358 0.977273
22 MC4 0.825758 0.934783
23 CO8 0.822222 0.966292
24 FYN 0.821705 0.988372
25 COO 0.818182 0.988506
26 MCA 0.818182 0.977273
27 5F9 0.816176 0.966292
28 DCC 0.816176 0.966292
29 MFK 0.816176 0.966292
30 MYA 0.816176 0.966292
31 UCC 0.816176 0.966292
32 ST9 0.816176 0.966292
33 COK 0.815385 0.965909
34 0T1 0.809524 0.965517
35 COA 0.809524 0.988372
36 CMC 0.80916 0.965909
37 DCA 0.808 0.943182
38 COW 0.80597 0.977273
39 1GZ 0.80597 0.977273
40 BYC 0.80597 0.988506
41 IRC 0.80597 1
42 30N 0.804688 0.904255
43 CS8 0.804348 0.955556
44 BCA 0.8 0.977273
45 HDC 0.798561 0.966292
46 A1S 0.796992 0.965909
47 ETB 0.793651 0.910112
48 COF 0.792593 0.944444
49 AMX 0.790698 0.976744
50 YNC 0.787234 0.977273
51 2CP 0.785185 0.955056
52 SCO 0.784615 0.965517
53 CMX 0.784615 0.965517
54 2NE 0.782609 0.966292
55 1CZ 0.782609 0.977273
56 3CP 0.779412 0.965909
57 2KQ 0.779412 0.966292
58 FCX 0.778626 0.933333
59 FAM 0.778626 0.94382
60 4CA 0.773723 0.955056
61 HAX 0.772727 0.94382
62 WCA 0.765957 0.966292
63 SCD 0.762963 0.965517
64 CAJ 0.762963 0.94382
65 MCD 0.761194 0.94382
66 CA6 0.761194 0.876289
67 4KX 0.760563 0.955556
68 CCQ 0.757143 0.945055
69 CIC 0.757143 0.965909
70 NMX 0.755556 0.893617
71 MRS 0.755245 0.966292
72 MRR 0.755245 0.966292
73 1CV 0.753521 0.988506
74 4CO 0.751773 0.955056
75 0FQ 0.751773 0.965909
76 DAK 0.75 0.955556
77 0ET 0.746479 0.944444
78 01A 0.746479 0.923913
79 8Z2 0.744828 0.955556
80 CA8 0.741007 0.895833
81 YE1 0.73913 0.954545
82 UOQ 0.736111 0.944444
83 NHW 0.736111 0.944444
84 NHM 0.736111 0.944444
85 HFQ 0.731034 0.944444
86 1HA 0.724832 0.966292
87 NHQ 0.722973 0.977012
88 UCA 0.722581 0.966292
89 S0N 0.72028 0.94382
90 01K 0.72 0.965909
91 COT 0.715232 0.965909
92 CA3 0.694805 0.965909
93 CA5 0.683544 0.923913
94 CO7 0.678322 0.988506
95 93P 0.658385 0.955056
96 COD 0.656716 0.976744
97 93M 0.648485 0.955056
98 HMG 0.64 0.954545
99 PLM COA 0.631579 0.933333
100 COA PLM 0.631579 0.933333
101 COA MYR 0.631579 0.933333
102 5TW 0.62069 0.924731
103 4BN 0.62069 0.924731
104 OXT 0.618497 0.924731
105 JBT 0.594444 0.905263
106 BSJ 0.570621 0.934066
107 PAP 0.544715 0.802326
108 191 0.538462 0.876289
109 ACE SER ASP ALY THR NH2 COA 0.510638 0.922222
110 SFC 0.508982 0.966292
111 RFC 0.508982 0.966292
112 PPS 0.507812 0.744681
113 A3P 0.495935 0.790698
114 0WD 0.489933 0.78022
115 PTJ 0.439716 0.862069
116 3AM 0.435484 0.77907
117 3OD 0.429577 0.816092
118 PUA 0.427673 0.811111
119 A22 0.427536 0.804598
120 A2D 0.421875 0.793103
121 PAJ 0.421429 0.873563
122 SAP 0.41791 0.818182
123 ATR 0.41791 0.790698
124 AGS 0.41791 0.818182
125 OAD 0.415493 0.816092
126 ADP 0.412214 0.813953
127 A2R 0.410072 0.804598
128 NA7 0.405594 0.848837
129 BA3 0.40458 0.793103
130 ATP 0.402985 0.813953
131 AP5 0.401515 0.793103
132 B4P 0.401515 0.793103
133 ADQ 0.401408 0.795455
134 48N 0.401316 0.8
135 AQP 0.4 0.813953
136 2A5 0.4 0.837209
137 ME8 0.4 0.833333
138 AR6 0.4 0.793103
139 APR 0.4 0.793103
140 5FA 0.4 0.813953
Ligand no: 2; 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 : 1BUC; Ligand: CAA; Similar sites found: 279
This union binding pocket(no: 1) in the query (biounit: 1buc.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VWA PTY 0.002192 0.47935 None
2 1UO5 PIH 0.004308 0.47699 None
3 2ALG HP6 0.00002466 0.43453 None
4 2ALG DAO 0.00002466 0.43453 None
5 3QP4 HL0 0.002917 0.40858 None
6 1C1L GAL BGC 0.02823 0.40439 None
7 1A27 EST 0.0005063 0.43648 1.03806
8 2Q8H TF4 0.001329 0.48434 1.04439
9 1O9U ADZ 0.007173 0.44685 1.42857
10 3P3N AKG 0.003381 0.4415 1.43266
11 2WA4 069 0.00277 0.41813 1.43266
12 1I2B USQ 0.002175 0.41946 1.56658
13 1I2B UPG 0.002175 0.41946 1.56658
14 1I2B NAD 0.002175 0.41946 1.56658
15 4HA6 FAD 0.002008 0.41182 1.56658
16 4MRP GSH 0.0276 0.40417 1.56658
17 1SB8 NAD 0.001896 0.41643 1.70455
18 3FC2 IBI 0.0001171 0.4357 1.79104
19 4C6F DOR 0.004146 0.41587 1.82768
20 4C6F NCD 0.004146 0.41587 1.82768
21 1Q3Q ANP 0.006558 0.40421 1.82768
22 2C7G FAD 0.007973 0.40051 1.82768
23 3NFZ 3NF 0.002023 0.42344 1.83486
24 3P7I P7I 0.006788 0.41675 1.86916
25 1HDR NAD 0.00544 0.40162 2.04918
26 4NTD FAD 0.0005466 0.42522 2.05882
27 3TFC PEP 0.001699 0.44241 2.08877
28 2IXB A2G 0.000443 0.42823 2.08877
29 1EB9 HBA 0.002122 0.42263 2.08877
30 3Q9T FAY 0.0007718 0.42028 2.08877
31 2V6O FAD 0.007683 0.41069 2.08877
32 1E4E ADP 0.001533 0.41048 2.08877
33 1E4E PHY 0.00278 0.40935 2.08877
34 1XMY ROL 0.0244 0.40483 2.08877
35 1I0Z OXM 0.003589 0.46227 2.1021
36 1V6A TRE 0.0009419 0.45981 2.10843
37 3CQ5 PMP 0.001394 0.44026 2.16802
38 3F81 STT 0.01888 0.42524 2.18579
39 3GJB AKG 0.01214 0.4014 2.19436
40 1XX4 BAM 0.005473 0.42339 2.29885
41 3D2Y AH0 ALA FGA LYS 0.001229 0.41382 2.29885
42 3M31 FAD 0.0004573 0.41242 2.34987
43 2GWD GLU 0.006727 0.41202 2.34987
44 2EJU SAH 0.002599 0.40251 2.38095
45 2R5T ANP 0.0008059 0.4121 2.41287
46 3SIX GDP 0.003583 0.41379 2.42424
47 2BLE 5GP 0.0061 0.40673 2.45232
48 4NAO AKG 0.008466 0.42931 2.45399
49 1C0I FAD 0.0004738 0.435 2.47934
50 1C0I BE2 0.0004738 0.435 2.47934
51 2PT9 2MH 0.0005754 0.41947 2.49221
52 4N02 FNR 0.005105 0.405 2.52101
53 1SQ5 PAU 0.01394 0.40339 2.5974
54 1Y9Q MED 0.002077 0.45116 2.60417
55 2IZ1 ATR 0.006413 0.42881 2.61097
56 3PLN U5P 0.005901 0.41935 2.61097
57 1KOL NAD 0.001152 0.41221 2.61097
58 1DR1 HBI 0.0001043 0.4476 2.6455
59 1DR1 NAP 0.0001043 0.4476 2.6455
60 4QEK GLC 0.03116 0.41253 2.65781
61 2V7T SAH 0.01967 0.4017 2.67559
62 1Q11 TYE 0.003804 0.42749 2.68817
63 1Y1A GSH 0.0002642 0.54663 2.73224
64 1YHM AHD 0.008162 0.41847 2.76243
65 1QDS PGA 0.009496 0.40143 2.78884
66 3BRE C2E 0.001771 0.45432 2.7933
67 1EYE PMM 0.00615 0.40465 2.85714
68 4M5P MLA 0.002686 0.47798 2.87206
69 4AT0 FAD 0.00008308 0.46279 2.87206
70 2Z9V PXM 0.01052 0.40862 2.87206
71 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.0338 0.40677 2.92887
72 2NX1 RP5 0.0009198 0.40439 2.99625
73 3JQ3 ADP 0.008967 0.40243 3.00546
74 3FPZ AHZ 0.01377 0.40357 3.06748
75 1NU4 MLA 0.01192 0.45215 3.09278
76 2XK9 XK9 0.0006126 0.41859 3.10559
77 3TN7 NJP 0.0007852 0.41102 3.11284
78 4WVH ASP HIS ASP ALA HIS ALA 0.001566 0.43817 3.13316
79 3PC3 P1T 0.001378 0.40442 3.13316
80 3TKA CTN 0.004573 0.46221 3.17003
81 2WJG GDP 0.007449 0.42659 3.19149
82 4JWX 1N4 0.001716 0.44222 3.21429
83 3KMT SAH 0.002183 0.41755 3.36134
84 2YB9 HA0 0.00003811 0.45111 3.39426
85 1B63 ANP 0.0007798 0.40878 3.39426
86 4GYW UDP 0.001046 0.40844 3.39426
87 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.00889 0.44153 3.40136
88 1F1V DHY 0.00541 0.41594 3.40557
89 4FR3 0V4 0.002057 0.42961 3.4188
90 4FR3 LYS ARG ARG LYS SEP VAL 0.002128 0.42908 3.4188
91 4EXO PYR 0.006651 0.44105 3.42466
92 2YBQ UP2 0.0008098 0.4172 3.42466
93 3DER ALA LYS 0.001025 0.40866 3.47826
94 3MB5 SAM 0.001456 0.42214 3.52941
95 3MAG SAH 0.0007402 0.4173 3.58306
96 3LZW NAP 0.0007777 0.43748 3.61446
97 1CKM GTP 0.001215 0.44272 3.63636
98 3GE7 AFQ 0.0006621 0.41617 3.65535
99 1MXI SAH 0.0009905 0.41707 3.75
100 4FFS BIG 0.0006881 0.40685 3.76569
101 2PR5 FMN 0.0006156 0.42425 3.78788
102 2QCX PF1 0.0001538 0.49445 3.80228
103 1M5B BN1 0.001725 0.42455 3.80228
104 2Z7I 742 0.02727 0.40285 3.82353
105 1EP2 ORO 0.001435 0.40664 3.83142
106 1EP2 FMN 0.001054 0.40254 3.83142
107 1PEA ACM 0.00282 0.45938 3.91645
108 2XDQ MGX 0.004672 0.4564 3.91645
109 1QO0 BMD 0.004494 0.43587 3.91645
110 4LHM AZZ 0.003454 0.43495 3.91645
111 1KTC NGA 0.002969 0.43208 3.91645
112 3HP9 CF1 0.01847 0.41876 3.91645
113 2NVK NAP 0.006999 0.41619 3.91645
114 1E5F PLP 0.001987 0.4147 3.91645
115 4GQB 0XU 0.004295 0.4076 3.91645
116 2YPO PHE 0.001168 0.40413 3.91645
117 1SS4 CIT 0.0001482 0.60152 3.92157
118 1SS4 GSH 0.01617 0.4507 3.92157
119 3ZPG 5GP 0.003857 0.46066 3.9267
120 1XE7 GUN 0.001653 0.4795 3.94089
121 1V35 NAI 0.001358 0.41548 3.95137
122 1T10 F6P 0.004131 0.43153 3.96694
123 4N7C AEF 0.02337 0.40832 3.97727
124 1ULE GLA GAL NAG 0.009686 0.433 4
125 4JHG ZEA 0.004605 0.40129 4.16667
126 4RJK PYR 0.004588 0.44899 4.17755
127 3GTD MLI 0.003497 0.43472 4.17755
128 2QF7 COA 0.003066 0.41198 4.17755
129 3K37 BCZ 0.008429 0.41034 4.17755
130 1I7L ATP 0.0005738 0.40292 4.20712
131 1P4C FMN 0.002022 0.4279 4.21053
132 1I0B PEL 0.001212 0.46883 4.21687
133 3S9K CIT 0.009969 0.46246 4.23729
134 1YOA FMN 0.003157 0.48456 4.40252
135 3TL1 JRO 0.03061 0.40378 4.40252
136 1U7Z PMT 0.001988 0.40081 4.42478
137 1GJW GLC 0.0009023 0.47531 4.43864
138 1LVL FAD 0.001246 0.41879 4.43864
139 1GJW MAL 0.007473 0.40561 4.43864
140 1YYE 196 0.01465 0.40441 4.47761
141 2Y7P SAL 0.001749 0.44188 4.58716
142 1N9L FMN 0.0009596 0.41755 4.58716
143 3SHR CMP 0.005018 0.41255 4.68227
144 2RDT 2RD 0.008784 0.40502 4.69974
145 1TV5 N8E 0.0115 0.4261 4.74041
146 1G8S MET 0.007103 0.42678 4.78261
147 4F8L GAL 0.003096 0.48503 4.82759
148 1NZY BCA 0.00008708 0.43636 4.83271
149 1QS8 IVA VAL VAL STA ALA STA 0.001707 0.40886 4.86322
150 1WRA PC 0.01571 0.41655 4.87013
151 2ZJ5 ADP 0.0002145 0.48809 4.96084
152 2Q09 DI6 0.004117 0.42084 4.96084
153 1UOU CMU 0.004323 0.40634 4.96084
154 2ZJF BSU 0.009627 0.40119 4.97238
155 2J07 FAD 0.002125 0.41562 5
156 2J07 HDF 0.002125 0.41562 5
157 1NHZ 486 0.001162 0.40321 5
158 1ZZ7 S0H 0.01283 0.40493 5.05051
159 1MZV AMP 0.004026 0.41638 5.10638
160 3DG6 MUC 0.0004785 0.44242 5.17711
161 2ZWS PLM 0.004157 0.47786 5.22193
162 4M51 BEZ 0.01581 0.42249 5.22193
163 4COQ SAN 0.01131 0.41754 5.22193
164 2C5S AMP 0.007547 0.40996 5.22193
165 3WBF NAP 0.000946 0.40554 5.2459
166 1JH7 UVC 0.004063 0.43184 5.29101
167 1RZM PEP 0.005366 0.42111 5.32544
168 1RZM E4P 0.03142 0.40217 5.32544
169 1VDC FAD 0.003196 0.40868 5.40541
170 1OAA OAA 0.003936 0.40197 5.40541
171 4LSJ LSJ 0.0002709 0.40601 5.42636
172 2RHQ GAX 0.0006725 0.41085 5.44218
173 1M2Z BOG 0.003012 0.47193 5.44747
174 1U5R ATP 0.004074 0.40325 5.45977
175 2FR6 CTN 0.0002285 0.4392 5.47945
176 2FR6 URI 0.002835 0.4012 5.47945
177 4UXU MLK 0.03589 0.4018 5.50459
178 3HB5 E2B 0.0008046 0.40124 5.50459
179 3F8C HT1 0.004115 0.4316 5.55556
180 1SJW NGV 0.001647 0.41769 5.55556
181 2Q1S NAI 0.003205 0.40498 5.57029
182 2IYG FMN 0.000697 0.44141 5.64516
183 1VE3 SAM 0.001706 0.40887 5.72687
184 4KCT PYR 0.0004697 0.45975 5.74413
185 2HHP FLC 0.001321 0.45237 5.74413
186 1A8S PPI 0.007533 0.40332 5.86081
187 3WE0 FAD 0.0005949 0.42959 6.00522
188 1D6H COA 0.003895 0.40213 6.00522
189 3ZZS TRP 0.001649 0.40592 6.15385
190 1T26 NAI 0.01069 0.4135 6.26632
191 1T26 GBD 0.01069 0.4135 6.26632
192 4JP3 CIT 0.0007063 0.44118 6.27615
193 4B9E FAH 0.03322 0.401 6.52742
194 2YDW WSH 0.009659 0.40113 6.53595
195 3CF6 SP1 0.003645 0.40503 6.58683
196 1TDF FAD 0.001657 0.41751 6.64557
197 1TDF NAP 0.008568 0.40781 6.64557
198 2O66 FLC 0.0002612 0.48432 6.66667
199 2EB5 OXL 0.02707 0.40012 6.74157
200 4E28 9MZ 0.004402 0.43628 6.76923
201 4E28 0MZ 0.007005 0.42141 6.76923
202 2AMV BIN 0.003801 0.40781 6.78851
203 3B6C SDN 0.02807 0.40576 6.83761
204 3UEC ALA ARG TPO LYS 0.008337 0.42962 6.84932
205 2CKM AA7 0.003035 0.40381 7.04961
206 2F01 BTQ 0.004547 0.41464 7.08661
207 2JBH 5GP 0.004607 0.41882 7.11111
208 2Q37 3AL 0.01696 0.40441 7.18232
209 3F3E LEU 0.0001116 0.44663 7.31071
210 3ZF8 GDP 0.001114 0.43872 7.54098
211 2NLI LAC 0.005539 0.40821 7.5718
212 2YLD CMO 0.004519 0.43576 7.87402
213 2E1A MSE 0.007683 0.40964 8
214 2FH5 GTP 0.0008817 0.41473 8.10811
215 2QA8 GEN 0.0148 0.4042 8.13953
216 1C3V NDP 0.00157 0.40145 8.16327
217 3OND NAD 0.002271 0.41375 8.19672
218 3OND ADN 0.002271 0.41375 8.19672
219 1NF8 BOG 0.00915 0.43767 8.21256
220 4MGA 27L 0.01388 0.42815 8.23529
221 1XIU REA 0.0007632 0.42536 8.26087
222 1Z44 NPO 0.009804 0.45693 8.35509
223 3SJ0 DXC 0.001517 0.46465 8.4507
224 4OB6 S2T 0.002748 0.40953 8.5044
225 3FAL REA 0.01698 0.40881 8.67769
226 3EYK EYK 0.01501 0.44398 8.72093
227 2V5E SCR 0.003997 0.46683 8.91089
228 2JFV FLC 0.01031 0.41938 8.93471
229 2CB8 MYA 0.008615 0.43635 9.1954
230 4F4S EFO 0.001035 0.45158 9.21053
231 2QLX RM4 0.00244 0.45489 9.25926
232 1T0S BML 0.0076 0.4382 9.30233
233 1GU3 BGC BGC BGC BGC BGC 0.007068 0.41601 9.39597
234 1BTN I3P 0.0001248 0.56403 9.43396
235 3RF4 FUN 0.002067 0.43878 9.48276
236 3MD0 GDP 0.002234 0.4318 9.57747
237 2WCI GSH 0.01133 0.41218 9.62963
238 2BOI MFU 0.00686 0.41656 9.73451
239 1Y2W NAG 0.006191 0.42951 9.85915
240 1YBH FAD 0.002229 0.4062 10.4439
241 2WGC SIA GAL BGC 0.01706 0.44337 10.5263
242 3R51 MMA 0.002139 0.47377 10.625
243 2NCD ADP 0.001744 0.44803 11.2272
244 5RHN 8BR 0.00264 0.41017 11.3043
245 4OAS 2SW 0.003816 0.43205 11.4583
246 2E2R 2OH 0.00003848 0.45743 11.4754
247 3A1I UNU 0.0005144 0.45214 11.4883
248 1YRX FMN 0.001435 0.42443 11.5702
249 1W3R PYR 0.004622 0.44883 11.5741
250 2FOI JPA 0.001787 0.4305 11.6667
251 1Y75 NAG 0.006493 0.41266 11.8644
252 4LN7 1ZQ 0.003343 0.40246 11.9617
253 4K30 NLG 0.003322 0.43 12.5
254 3U7Y FLC 0.008448 0.46863 13.1004
255 3GM5 CIT 0.006544 0.42841 13.2075
256 3LTW HLZ 0.007649 0.42531 13.2143
257 3BHO B4P 0.02157 0.42945 13.4615
258 2Q1A 2KT 0.008053 0.42429 13.6519
259 2OFE NAG 0.02416 0.4024 14.0845
260 2VKL MLT 0.02958 0.42203 14.4444
261 3BY8 MLT 0.005404 0.43855 14.7887
262 2F2U M77 0.001775 0.43063 15.6658
263 3DGB MUC 0.003532 0.41403 15.7068
264 3QDT A2G GAL 0.001121 0.47906 16.0839
265 3QDY CBS 0.006621 0.43437 16.0839
266 3QDY A2G GAL 0.01705 0.42088 16.0839
267 3KJQ B94 0.001175 0.4326 16.8421
268 4LWU 20U 0.005519 0.42449 17.6471
269 1BGQ RDC 0.000276 0.41903 17.7778
270 3QV9 QV7 0.005224 0.42703 18.2768
271 3VPD ANP 0.0002001 0.41128 20.2847
272 1ZS6 ADP 0.00159 0.4379 20.7101
273 3EW2 BTN 0.009201 0.40639 20.7407
274 4I67 G G G RPC 0.02012 0.40514 22.9885
275 1UO4 PIH 0.00355 0.4715 29.4118
276 1H8G CHT 0.002872 0.48686 34.7368
277 3DJL FAD 0.008121 0.40505 36.2924
278 1R2J FAD 0.003397 0.43029 42.8198
279 2C0U FAD NBT 0.001561 0.43639 45.6919
Pocket No.: 2; Query (leader) PDB : 1BUC; Ligand: FAD; Similar sites found: 127
This union binding pocket(no: 2) in the query (biounit: 1buc.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.02875 0.44244 None
2 1C1L GAL BGC 0.0184 0.42554 None
3 2Q8H TF4 0.02043 0.43564 1.04439
4 1O9U ADZ 0.011 0.44999 1.42857
5 3P3N AKG 0.005981 0.44337 1.43266
6 3P7I P7I 0.01462 0.41494 1.86916
7 3TFC PEP 0.02801 0.40226 2.08877
8 1EB9 HBA 0.01496 0.40202 2.08877
9 1I0Z OXM 0.00834 0.4564 2.1021
10 1V6A TRE 0.01981 0.41361 2.10843
11 3CQ5 PMP 0.01086 0.4161 2.16802
12 3F81 STT 0.00997 0.45227 2.18579
13 1XX4 BAM 0.02037 0.41073 2.29885
14 1U8V FAD 0.001111 0.4171 2.34987
15 2EJU SAH 0.00208 0.41991 2.38095
16 1SQ5 ADP 0.009006 0.41104 2.5974
17 1SQ5 PAU 0.03084 0.40037 2.5974
18 1Y9Q MED 0.00341 0.45497 2.60417
19 2IZ1 ATR 0.019 0.41943 2.61097
20 1UF5 CDT 0.01098 0.41158 2.64026
21 1Y1A GSH 0.0004645 0.55736 2.73224
22 1YHM AHD 0.02542 0.40859 2.76243
23 1QDS PGA 0.006635 0.42077 2.78884
24 1EYE PMM 0.01632 0.40048 2.85714
25 4M5P MLA 0.001221 0.51075 2.87206
26 4M5P 23W 0.04683 0.4105 2.87206
27 3JQ3 ADP 0.01042 0.41253 3.00546
28 1NU4 MLA 0.02279 0.44834 3.09278
29 4WVH ASP HIS ASP ALA HIS ALA 0.004834 0.43131 3.13316
30 4AFK FLC 0.02988 0.41112 3.13316
31 3TKA CTN 0.000534 0.53975 3.17003
32 4JWX 1N4 0.008874 0.42463 3.21429
33 1F5F DHT 0.006373 0.40557 3.41463
34 2Y6P CTP 0.0103 0.41274 3.4188
35 4EXO PYR 0.0286 0.42162 3.42466
36 4PPU TYR 0.01024 0.42187 3.59712
37 1CKM GTP 0.01975 0.40481 3.63636
38 1H0C AOA 0.03718 0.41033 3.65535
39 2QCX PF1 0.002886 0.45216 3.80228
40 1PEA ACM 0.0007261 0.50321 3.91645
41 2XDQ MGX 0.007124 0.46004 3.91645
42 1QO0 BMD 0.006035 0.44319 3.91645
43 2NVK NAP 0.02218 0.40682 3.91645
44 1SS4 GSH 0.00176 0.51732 3.92157
45 3ZPG 5GP 0.01106 0.44988 3.9267
46 4FK7 P34 0.04989 0.40818 3.93013
47 1XE7 GUN 0.02639 0.42968 3.94089
48 1YXM ADE 0.03171 0.41664 3.9604
49 1ULE GLA GAL NAG 0.007531 0.45138 4
50 2HFK E4H 0.01075 0.42091 4.07523
51 4RJK PYR 0.01464 0.45957 4.17755
52 3GTD MLI 0.008004 0.43179 4.17755
53 1NNS ASP 0.01748 0.40307 4.29448
54 1YOA FMN 0.03125 0.4403 4.40252
55 1GJW GLC 0.0122 0.43437 4.43864
56 1GJW MAL 0.01946 0.40109 4.43864
57 3E5P PPI 0.00389 0.50646 4.58221
58 1N9L FMN 0.004584 0.40733 4.58716
59 3RK0 AMP 0.002626 0.43288 4.64135
60 3SHR CMP 0.001112 0.4533 4.68227
61 1G8S MET 0.002421 0.46204 4.78261
62 4F8L GAL 0.02836 0.44278 4.82759
63 1UOU CMU 0.007797 0.40961 4.96084
64 2Q9U FMN 0.006957 0.40068 4.96084
65 3DG6 MUC 0.007639 0.40997 5.17711
66 4M51 BEZ 0.005402 0.45876 5.22193
67 2ZWS PLM 0.0241 0.44692 5.22193
68 1JH7 UVC 0.02255 0.41101 5.29101
69 1RZM E4P 0.001268 0.48277 5.32544
70 2VDF OCT 0.01402 0.42707 5.5336
71 3F8C HT1 0.02343 0.41023 5.55556
72 4DYO SD4 0.009879 0.41788 5.74413
73 4KCT PYR 0.0123 0.41376 5.74413
74 3CH5 GDP 0.005945 0.41841 5.76923
75 4JP3 CIT 0.008628 0.41181 6.27615
76 4GKY MAN 0.01838 0.42725 6.51341
77 4B9E FAH 0.001407 0.48055 6.52742
78 2Y9G LAT 0.02477 0.42026 6.66667
79 2EB5 OXL 0.006021 0.44323 6.74157
80 4E28 0MZ 0.02926 0.40575 6.76923
81 2WMO GTP 0.003933 0.42141 6.84211
82 1TUV VK3 0.03389 0.42383 7.01754
83 2JBH 5GP 0.00814 0.42152 7.11111
84 2Q37 3AL 0.01709 0.41658 7.18232
85 4JCA CIT 0.00004945 0.58772 7.18563
86 2YYJ FAD 0.0000327 0.45827 7.31071
87 2YYJ 4HP 0.00005194 0.45741 7.31071
88 1ECM TSA 0.01081 0.41618 7.33945
89 1B74 DGN 0.008401 0.44537 7.87402
90 2YLD CMO 0.007244 0.43941 7.87402
91 2E1A MSE 0.02138 0.40332 8
92 3SJ0 DXC 0.02317 0.42057 8.4507
93 2V5E SCR 0.01368 0.45261 8.91089
94 2JFV FLC 0.004038 0.45148 8.93471
95 1T0S BML 0.002092 0.47978 9.30233
96 2BES RES 0.002366 0.43472 9.30233
97 1BTN I3P 0.01798 0.45292 9.43396
98 4DN8 BMA 0.001657 0.46986 9.61539
99 2WCI GSH 0.01937 0.41406 9.62963
100 1Y2W NAG 0.04743 0.40029 9.85915
101 4Q0A 4OA 0.004283 0.40841 10.2649
102 1WGC SIA GAL BGC 0.006403 0.47091 10.5263
103 2WGC SIA GAL BGC 0.01984 0.45186 10.5263
104 3R51 MMA 0.0008028 0.51035 10.625
105 2NCD ADP 0.0275 0.407 11.2272
106 5RHN 8BR 0.004943 0.4135 11.3043
107 1W3R PYR 0.0163 0.43419 11.5741
108 2FOI JPA 0.01152 0.41069 11.6667
109 1Y75 NAG 0.003096 0.43967 11.8644
110 3CR4 PNT 0.0166 0.40401 11.9565
111 3GM5 CIT 0.0452 0.4013 13.2075
112 3LTW HLZ 0.01131 0.43019 13.2143
113 2W3L DRO 0.01251 0.44702 13.8889
114 3BY8 MLT 0.0007552 0.49382 14.7887
115 2F2U M77 0.01483 0.40608 15.6658
116 3QDY CBS 0.00262 0.46727 16.0839
117 3QDT A2G GAL 0.02028 0.42932 16.0839
118 3QV9 QV7 0.005267 0.44015 18.2768
119 2DDH FAD 0.000000002764 0.60213 19.8433
120 2DDH HXD 0.00006152 0.40887 19.8433
121 1W07 FAD 0.0001734 0.43597 22.1932
122 1UO4 PIH 0.03717 0.42832 29.4118
123 3DJL FAD 0.00000000007358 0.67006 36.2924
124 4KCF FMN 0.0000468 0.5332 41.5144
125 3MKH FAD 0.0005291 0.42365 41.5144
126 1R2J FAD 0.000000000981 0.75755 42.8198
127 2C0U FAD NBT 0.0008774 0.41828 45.6919
Pocket No.: 3; Query (leader) PDB : 1BUC; 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: 1buc.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1BUC; Ligand: CAA; 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: 1buc.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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