Receptor
PDB id Resolution Class Description Source Keywords
3B96 1.91 Å EC: 1.3.99.- STRUCTURAL BASIS FOR SUBSTRATE FATTY-ACYL CHAIN SPECIFICITY: CRYSTAL STRUCTURE OF HUMAN VERY-LONG-CHAIN ACYL-COA D EHYDROGENASE HOMO SAPIENS ACYL-COA FATTY ACID BETA-OXIDATION DEHYDROGENASE VERY LONG CHAIN MITOCHONDRIA MEMBRANE ACETYLATION ALTERNATIVE SPLICING CARDIOMYOPATHY DISEASE MUTATION FAD FATTY ACID METABOLISM FLAVOPROTEIN LIPID METABOLISMMITOCHONDRION OXIDOREDUCTASE POLYMORPHISM TRANSIT PEPTIDE UBL CONJUGATION
Ref.: STRUCTURAL BASIS FOR SUBSTRATE FATTY ACYL CHAIN SPECIFICITY: CRYSTAL STRUCTURE OF HUMAN VERY-LONG-CHAIN ACYL-COA DEHYDROGENASE. J.BIOL.CHEM. V. 283 9435 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:616;
Valid;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
MYA A:1;
Valid;
none;
submit data
977.89 C35 H62 N7 O17 P3 S CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3B96 1.91 Å EC: 1.3.99.- STRUCTURAL BASIS FOR SUBSTRATE FATTY-ACYL CHAIN SPECIFICITY: CRYSTAL STRUCTURE OF HUMAN VERY-LONG-CHAIN ACYL-COA D EHYDROGENASE HOMO SAPIENS ACYL-COA FATTY ACID BETA-OXIDATION DEHYDROGENASE VERY LONG CHAIN MITOCHONDRIA MEMBRANE ACETYLATION ALTERNATIVE SPLICING CARDIOMYOPATHY DISEASE MUTATION FAD FATTY ACID METABOLISM FLAVOPROTEIN LIPID METABOLISMMITOCHONDRION OXIDOREDUCTASE POLYMORPHISM TRANSIT PEPTIDE UBL CONJUGATION
Ref.: STRUCTURAL BASIS FOR SUBSTRATE FATTY ACYL CHAIN SPECIFICITY: CRYSTAL STRUCTURE OF HUMAN VERY-LONG-CHAIN ACYL-COA DEHYDROGENASE. J.BIOL.CHEM. V. 283 9435 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3B96 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 3B96 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3B96 - MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
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: MYA; Similar ligands found: 133
No: Ligand ECFP6 Tc MDL keys Tc
1 DCC 1 1
2 ST9 1 1
3 5F9 1 1
4 MFK 1 1
5 UCC 1 1
6 MYA 1 1
7 CO8 0.992126 1
8 HXC 0.945736 1
9 BCO 0.877863 0.977528
10 YNC 0.876812 0.945055
11 HDC 0.862319 1
12 GRA 0.859259 0.955556
13 1HE 0.849624 0.956044
14 1VU 0.848485 0.988764
15 SCA 0.837037 0.955556
16 IVC 0.835821 0.966292
17 3HC 0.835821 0.966292
18 MRS 0.829787 1
19 MRR 0.829787 1
20 CS8 0.828571 0.988889
21 UOQ 0.822695 0.977778
22 NHM 0.822695 0.977778
23 NHW 0.822695 0.977778
24 MLC 0.822222 0.955556
25 0ET 0.821429 0.977778
26 8Z2 0.818182 0.988889
27 ACO 0.818182 0.988764
28 HGG 0.817518 0.955556
29 CAA 0.816176 0.966292
30 3KK 0.80597 0.977528
31 CAO 0.80303 0.923913
32 COS 0.80303 0.934066
33 OXK 0.8 0.955556
34 FAQ 0.798561 0.955556
35 CO6 0.794118 0.977528
36 0T1 0.793893 0.955056
37 2MC 0.788321 0.935484
38 TGC 0.787234 0.945055
39 FYN 0.779412 0.955056
40 DCA 0.778626 0.955056
41 MCA 0.776978 0.966667
42 COO 0.776978 0.955556
43 SOP 0.773723 0.955556
44 COK 0.773723 0.934066
45 MC4 0.771429 0.925532
46 COA MYR 0.770833 0.966667
47 PLM COA 0.770833 0.966667
48 COA PLM 0.770833 0.966667
49 CMC 0.768116 0.934066
50 COA 0.766917 0.955056
51 COW 0.765957 0.945055
52 IRC 0.765957 0.966292
53 1GZ 0.765957 0.945055
54 BYC 0.765957 0.955556
55 30N 0.762963 0.876289
56 AMX 0.762963 0.94382
57 CAJ 0.76259 0.955556
58 BCA 0.760563 0.945055
59 CMX 0.757353 0.933333
60 A1S 0.757143 0.955556
61 2NE 0.756944 0.934783
62 COF 0.753521 0.913979
63 3CP 0.753521 0.934066
64 ETB 0.75188 0.922222
65 2CP 0.746479 0.945055
66 HAX 0.746377 0.913043
67 1CZ 0.744828 0.945055
68 SCO 0.744526 0.933333
69 NMX 0.742857 0.865979
70 2KQ 0.741259 0.977778
71 FAM 0.73913 0.913043
72 FCX 0.73913 0.903226
73 SCD 0.737589 0.933333
74 4CA 0.736111 0.923913
75 MCD 0.735714 0.955556
76 CA6 0.735714 0.887755
77 WCA 0.72973 0.934783
78 4KX 0.724832 0.924731
79 CCQ 0.721088 0.935484
80 CIC 0.721088 0.934066
81 0FQ 0.716216 0.934066
82 4CO 0.716216 0.923913
83 DAK 0.715232 0.924731
84 UCA 0.7125 0.977778
85 01A 0.711409 0.894737
86 HFQ 0.708609 0.913979
87 1CV 0.706667 0.955556
88 CA8 0.705479 0.868687
89 YE1 0.703448 0.923077
90 1HA 0.703226 0.934783
91 NHQ 0.701299 0.944444
92 S0N 0.697987 0.913043
93 01K 0.687898 0.955556
94 CA3 0.675 0.934066
95 COT 0.672956 0.934066
96 CA5 0.664634 0.894737
97 CO7 0.657718 0.955556
98 93P 0.650602 0.923913
99 93M 0.641176 0.923913
100 COD 0.624114 0.94382
101 5TW 0.605556 0.93617
102 4BN 0.605556 0.93617
103 HMG 0.601266 0.923077
104 JBT 0.597826 0.916667
105 OXT 0.585635 0.93617
106 BSJ 0.548913 0.904255
107 191 0.524691 0.887755
108 PAP 0.515385 0.775281
109 RFC 0.49711 0.956044
110 SFC 0.49711 0.956044
111 ACE SER ASP ALY THR NH2 COA 0.484694 0.913043
112 PPS 0.481481 0.721649
113 A3P 0.469231 0.764045
114 1ZZ 0.468531 0.866667
115 0WD 0.467949 0.755319
116 OMR 0.45098 0.877778
117 S2N 0.443662 0.688889
118 PTJ 0.428571 0.833333
119 PUA 0.426829 0.784946
120 MYR AMP 0.425676 0.846154
121 3AM 0.423077 0.752809
122 MDE 0.419689 0.978022
123 A22 0.416667 0.777778
124 NA7 0.414966 0.820225
125 5SV 0.413793 0.853933
126 YLB 0.411392 0.888889
127 PAJ 0.410959 0.844444
128 ATR 0.407143 0.764045
129 WAQ 0.402685 0.822222
130 YLP 0.401274 0.888889
131 A2D 0.4 0.766667
132 3OD 0.4 0.788889
133 A2R 0.4 0.777778
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3B96; Ligand: FAD; Similar sites found: 196
This union binding pocket(no: 1) in the query (biounit: 3b96.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WVH ASP HIS ASP ALA HIS ALA 0.02207 0.40473 1.1257
2 3QV9 QV7 0.01234 0.42521 1.2024
3 3L24 GOA 0.005271 0.4692 1.35397
4 1T10 F6P 0.01449 0.42197 1.36286
5 1V6A TRE 0.023 0.41261 1.50602
6 2YYJ 4HP 0.0005437 0.42135 1.6632
7 2YYJ FAD 0.0005771 0.41986 1.6632
8 3CEV ARG 0.02207 0.40473 1.67224
9 1CBF SAH 0.002229 0.42917 1.75439
10 4C2G ALA ALA ALA ALA 0.02041 0.40621 1.79372
11 4KCT PYR 0.01473 0.41242 1.80361
12 3DGB MUC 0.01215 0.40781 1.83246
13 2NCD ADP 0.01385 0.42288 1.90476
14 3BHO B4P 0.03504 0.43172 1.92308
15 1QDS PGA 0.002782 0.43891 1.99203
16 1O9U ADZ 0.00998 0.45437 2
17 1LYX PGA 0.004129 0.42282 2.01613
18 2ZJ5 ADP 0.006793 0.43724 2.04429
19 1DXY COI 0.01389 0.44668 2.1021
20 1UOU CMU 0.006014 0.41628 2.1097
21 4E28 9MZ 0.02831 0.4131 2.15385
22 4E28 0MZ 0.03888 0.40192 2.15385
23 2Q8H TF4 0.006596 0.464 2.21465
24 1OYB FMN 0.001254 0.41553 2.21465
25 3P3N AKG 0.001826 0.4702 2.29226
26 2WA4 069 0.004363 0.42612 2.29226
27 3IB1 IMN 0.03457 0.41467 2.31884
28 1RYI GOA 0.01089 0.47773 2.35602
29 4GO7 THR 0.004013 0.43218 2.5
30 1UW1 ADP 0.009752 0.42996 2.5
31 2HFK E4H 0.02998 0.4029 2.50784
32 4C6F DOR 0.01597 0.40678 2.54453
33 4C6F NCD 0.01597 0.40678 2.54453
34 1MZV AMP 0.01311 0.41042 2.55319
35 4M5P MLA 0.0002144 0.55515 2.55537
36 4GKY MAN 0.00804 0.45387 2.68199
37 2JC9 ADN 0.002798 0.44926 2.7027
38 3SQG TP7 0.0122 0.40041 2.76339
39 3TKA CTN 0.0008062 0.52996 2.88184
40 3U1T MLI 0.006009 0.45172 2.91262
41 3RK0 AMP 0.009707 0.41184 2.95359
42 4LHM AZZ 0.02675 0.40954 2.95455
43 9LDT OXM 0.001208 0.51341 3.01205
44 1NSA BEN 0.02186 0.41804 3.03797
45 2Z9V PXM 0.03373 0.40057 3.06122
46 3D2Y AH0 ALA FGA LYS 0.00781 0.40099 3.06513
47 2ZWS PLM 0.003027 0.5016 3.06644
48 3MD0 GDP 0.02598 0.40161 3.09859
49 1T0I FMN 0.0008661 0.4363 3.14136
50 2ZYF AKG 0.009219 0.42131 3.14136
51 2YLD CMO 0.0468 0.40248 3.14961
52 1JH7 UVC 0.02072 0.41473 3.1746
53 1WRA PC 0.01539 0.43144 3.24675
54 2ZJF BSU 0.007315 0.42116 3.31492
55 4B9E FAH 0.001658 0.47941 3.32226
56 1ULE GLA GAL NAG 0.02279 0.42872 3.33333
57 1F1V DHY 0.01061 0.41865 3.40557
58 1GJW GLC 0.005625 0.45315 3.40716
59 4DYO SD4 0.02368 0.40338 3.50515
60 2BO4 FLC 0.009491 0.44188 3.52645
61 1ZZ7 S0H 0.009149 0.42617 3.53535
62 4JWX 1N4 0.007008 0.43138 3.57143
63 2CE7 ADP 0.009457 0.40841 3.57143
64 2VDJ HSE 0.02202 0.42949 3.65448
65 1NNS ASP 0.02116 0.40158 3.68098
66 4JEJ 1GP 0.01021 0.41093 3.68852
67 2O66 FLC 0.006144 0.43926 3.7037
68 4HZO COA 0.01007 0.4243 3.77358
69 3PLN U5P 0.01576 0.41554 3.77358
70 1XX4 BAM 0.01606 0.44328 3.83142
71 3LTW HLZ 0.0243 0.4163 3.92857
72 4LIT AKG 0.03612 0.40342 3.9312
73 1E4E PHY 0.002926 0.42457 4.08163
74 2YIV NBN 0.005693 0.45289 4.08859
75 2YIV YIV 0.009047 0.44944 4.08859
76 3GTD MLI 0.01879 0.41671 4.08859
77 4F8L GAL 0.008329 0.47596 4.13793
78 4JP3 CIT 0.01471 0.40439 4.1841
79 4AF5 CIT 0.005546 0.44713 4.21053
80 4WBD ADP 0.00287 0.46762 4.25139
81 4WBD CIT 0.01028 0.44657 4.25139
82 4JCA CIT 0.02156 0.4436 4.25894
83 3L6R MLI 0.002964 0.46692 4.33526
84 2VAR KDG 0.01124 0.40922 4.47284
85 2VAR AMP 0.01557 0.40725 4.47284
86 1PEA ACM 0.01498 0.43815 4.59966
87 1QO0 BMD 0.0445 0.40355 4.59966
88 4W6Z ETF 0.004293 0.47396 4.61095
89 1Y9Q MED 0.002101 0.46729 4.6875
90 3BRE C2E 0.03404 0.40922 4.7486
91 1H16 PYR 0.03368 0.41989 4.77002
92 2IYG FMN 0.01697 0.40183 4.83871
93 1CKM GTP 0.02218 0.40463 4.84848
94 3F81 STT 0.005425 0.46853 4.91803
95 4M51 BEZ 0.02102 0.43054 4.91803
96 1XE7 GUN 0.04993 0.41663 4.92611
97 1YRX FMN 0.00241 0.42785 4.95868
98 1EB9 HBA 0.01475 0.40435 4.96183
99 4Q0A 4OA 0.00642 0.40414 4.96689
100 3SHR CMP 0.0009151 0.45929 5.01672
101 4RJK PYR 0.007479 0.47869 5.07881
102 2BZ1 TAU 0.006259 0.4832 5.10204
103 1Q11 TYE 0.01456 0.4171 5.10753
104 2OWZ CIT 0.002571 0.4631 5.12048
105 2Q8M AMP 0.01628 0.40257 5.12048
106 2WGC SIA GAL BGC 0.004744 0.49023 5.26316
107 1ZJ6 G3D 0.001697 0.44296 5.34759
108 1Y1A GSH 0.009607 0.47602 5.46448
109 3UEC ALA ARG TPO LYS 0.01816 0.42786 5.47945
110 1ECM TSA 0.007255 0.42585 5.50459
111 1SQ5 PAU 0.01357 0.41847 5.51948
112 1SQ5 ADP 0.01762 0.40115 5.51948
113 3QDT A2G GAL 0.01507 0.43801 5.59441
114 3QDY A2G GAL 0.02983 0.42264 5.59441
115 3QDY CBS 0.02903 0.41767 5.59441
116 1SC3 MLI 0.03188 0.42114 5.61798
117 2EJU SAH 0.004892 0.40851 5.82011
118 1KYQ NAD 0.0009382 0.43502 5.83942
119 4IHQ ADP 0.0238 0.40329 5.84795
120 2XDQ MGX 0.04531 0.41893 5.86957
121 1Y75 NAG 0.0009688 0.46387 5.9322
122 1JGL EST 0.04371 0.41978 6.07477
123 2Q37 3AL 0.02226 0.41327 6.07735
124 1B5E DCM 0.005226 0.43205 6.13288
125 1TUV VK3 0.0109 0.45231 6.14035
126 4EXO PYR 0.006708 0.45612 6.16438
127 3GM5 CIT 0.03609 0.40798 6.28931
128 3MAG 3MA 0.03421 0.43231 6.30324
129 3TW1 AHN 0.04229 0.41292 6.32911
130 1GPJ CIT 0.01049 0.43387 6.43564
131 1Y42 TYR 0.002372 0.45248 6.64395
132 2E1A MSE 0.0084 0.42307 6.66667
133 4NAO AKG 0.009409 0.44206 6.74847
134 4B16 NAG 0.00008547 0.57736 6.76692
135 1RZM E4P 0.003228 0.46509 6.80473
136 1FP2 HMO 0.007396 0.40889 6.81818
137 2Y6P CTP 0.008285 0.41887 6.83761
138 4K30 NLG 0.02381 0.40744 6.875
139 1ICV NIO 0.03462 0.43322 6.91244
140 3BY8 MLT 0.004393 0.45847 7.04225
141 3K3G MMU 0.0204 0.41272 7.05882
142 2JBH 5GP 0.01694 0.40977 7.11111
143 2EB5 OXL 0.02864 0.41286 7.11611
144 4LO6 SIA GAL 0.03648 0.41532 7.36842
145 2QLX RM4 0.00774 0.44627 7.40741
146 4E13 NAD 0.003029 0.40914 7.42049
147 3R51 MMA 0.001677 0.49576 7.5
148 1Y2W NAG 0.01829 0.42226 7.74648
149 3RF4 FUN 0.0189 0.41197 7.75862
150 1S2D ADE 0.01086 0.40601 7.78443
151 1F5F DHT 0.001002 0.4382 7.80488
152 1SS4 CIT 0.0003681 0.57788 7.84314
153 1SS4 GSH 0.002161 0.51385 7.84314
154 3ZPG 5GP 0.02122 0.43678 7.8534
155 1WGC SIA GAL BGC 0.02798 0.43724 8.18713
156 1Q3P GLU ALA GLN THR ARG LEU 0.01358 0.41397 8.25688
157 2PR5 FMN 0.00723 0.40223 8.33333
158 1I0Z OXM 0.001451 0.4991 8.34753
159 1G8S MET 0.008079 0.43931 8.69565
160 2WMO GTP 0.00772 0.41194 8.94737
161 1N9L FMN 0.003978 0.41184 9.17431
162 1NU4 MLA 0.02934 0.43607 9.27835
163 2QCX PF1 0.01726 0.41843 9.5057
164 2BOI MFU 0.01456 0.41709 9.73451
165 3SJ0 DXC 0.01711 0.42914 9.85915
166 4DN8 BMA 0.001283 0.47752 10.2564
167 1T0S BML 0.001516 0.48929 10.4651
168 4F4S EFO 0.006867 0.43177 11.8421
169 2C5S AMP 0.02245 0.4044 12.8329
170 2JFV FLC 0.002505 0.46364 13.4021
171 1JN2 SFP 0.003082 0.48036 13.5021
172 4COQ SAN 0.02109 0.41928 14.17
173 1BTN I3P 0.002801 0.50322 15.0943
174 2VDF OCT 0.02301 0.40282 20.1581
175 2DWU DGL 0.009668 0.42041 20.6522
176 3S9K CIT 0.006736 0.49322 21.1864
177 3DJL FAD 0.000000000001822 0.72301 21.9963
178 1MXI SAH 0.005256 0.40736 22.5
179 2DDH FAD 0.0000000001732 0.67145 27.2572
180 2DDH HXD 0.00000128 0.58417 27.2572
181 3KPE TM3 0.04412 0.40373 27.451
182 4NC7 I3C 0.01885 0.42705 28.2828
183 1W07 FAD 0.00004082 0.463 30.494
184 2FOI JPA 0.003521 0.43458 33.3333
185 3MKH FAD 0.0005854 0.42459 34.4749
186 4CCO OGA 0.004451 0.44023 35
187 1UO5 PIH 0.0487 0.43083 35.2941
188 4KCF FMN 0.0007334 0.47835 36.1233
189 1R2J FAD 0.00000000004863 0.82482 42.623
190 5AHS FAD 0.0002433 0.52061 42.6434
191 5AHS COA 0.004457 0.43026 42.6434
192 2R0N FAD 0.000000000002317 0.71931 43.401
193 2R0N TGC 0.00000000006741 0.55845 43.401
194 1UDY CS8 0.00000003504 0.46348 44.697
195 1UDY FAD 0.00000007236 0.42011 44.697
196 1EGD FAD 0.000000004627 0.61314 45.4545
Pocket No.: 2; Query (leader) PDB : 3B96; Ligand: MYA; Similar sites found: 349
This union binding pocket(no: 2) in the query (biounit: 3b96.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WVH ASP HIS ASP ALA HIS ALA 0.005684 0.40827 1.1257
2 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.003634 0.41292 1.15385
3 3QV9 QV7 0.002158 0.43676 1.2024
4 3L24 GOA 0.005311 0.44673 1.35397
5 3Q9T FAY 0.002143 0.41913 1.38648
6 3JDW ORN 0.0005943 0.40038 1.41844
7 1P72 ADP 0.002636 0.40747 1.49701
8 1ZK7 FAD 0.0016 0.43096 1.49893
9 1V6A TRE 0.002409 0.4347 1.50602
10 3F3E LEU 0.006658 0.40025 1.54143
11 1T26 GBD 0.001096 0.46506 1.5528
12 1T26 NAI 0.001096 0.46506 1.5528
13 3BW2 FMN 0.003466 0.40197 1.62602
14 2BLE 5GP 0.006036 0.4189 1.63488
15 3CEV ARG 0.007449 0.40352 1.67224
16 4GYW UDP 0.0005333 0.43461 1.70358
17 2C7G ODP 0.001022 0.44539 1.75439
18 2C7G FAD 0.001402 0.44097 1.75439
19 1ECC PCP 0.001907 0.40169 1.78571
20 4C2G ALA ALA ALA ALA 0.001239 0.43495 1.79372
21 4KCT PYR 0.006817 0.40508 1.80361
22 3GE7 AFQ 0.003509 0.40564 1.81347
23 1V35 NAI 0.003011 0.41692 1.82371
24 1Q3Q ANP 0.00876 0.41127 1.82482
25 1YBH FAD 0.0008463 0.43489 1.87394
26 3FSJ D7K 0.009198 0.41694 1.89394
27 2NCD ADP 0.00149 0.44369 1.90476
28 3BHO B4P 0.005133 0.45611 1.92308
29 4IOK ADP 0.002925 0.40024 1.9678
30 1UF5 CDT 0.001589 0.42523 1.9802
31 1QDS PGA 0.005123 0.40536 1.99203
32 1O9U ADZ 0.002105 0.46693 2
33 1KOL NAD 0.005281 0.4028 2.01005
34 1LYX PGA 0.003744 0.40174 2.01613
35 2ZJ5 ADP 0.01155 0.40531 2.04429
36 2Q1A 2KT 0.002203 0.44281 2.04778
37 1DXY COI 0.01366 0.42606 2.1021
38 1DSS NAD 0.002014 0.40422 2.1021
39 3SIX GDP 0.003152 0.40891 2.12121
40 4E28 9MZ 0.009495 0.41445 2.15385
41 4E28 0MZ 0.0152 0.40015 2.15385
42 1JQ5 NAD 0.04035 0.41037 2.16216
43 3ZUY TCH 0.003511 0.41177 2.16718
44 3P7I P7I 0.0004649 0.45855 2.18069
45 1KBJ FMN 0.002019 0.40419 2.18447
46 2Q8H TF4 0.0006289 0.49326 2.21465
47 4Q86 AMP 0.01556 0.40046 2.21843
48 3WE0 FAD 0.002 0.42544 2.24138
49 2GDZ NAD 0.00116 0.41855 2.24719
50 3P0K FAD 0.00028 0.42773 2.25564
51 1UXG FUM 0.003386 0.41194 2.26537
52 1UXG NAD 0.003386 0.41194 2.26537
53 4OYA 1VE 0.004195 0.44317 2.34043
54 1RYI GOA 0.03409 0.4229 2.35602
55 1RM4 NDP 0.002553 0.40226 2.37389
56 3FC2 IBI 0.002878 0.40479 2.38806
57 4KOA NDP 0.002128 0.40227 2.4024
58 1UW1 ADP 0.006173 0.41708 2.5
59 2HFK E4H 0.002417 0.42874 2.50784
60 3GJB AKG 0.003731 0.41564 2.50784
61 2RCN GDP 0.00545 0.40431 2.51397
62 3SCH TB6 0.01541 0.40501 2.52525
63 4C6F NCD 0.00569 0.40357 2.54453
64 4C6F DOR 0.00569 0.40357 2.54453
65 3GWT 066 0.0006311 0.42922 2.54958
66 4M5P 23W 0.005666 0.43769 2.55537
67 4M5P MLA 0.01553 0.43078 2.55537
68 4HA6 FAD 0.001112 0.43484 2.55906
69 2IXB A2G 0.003209 0.41279 2.7027
70 2V6O FAD 0.007189 0.4235 2.72572
71 3NFZ 3NF 0.0029 0.41029 2.75229
72 3SQG COM 0.02135 0.42347 2.76339
73 3TKA CTN 0.0006336 0.49529 2.88184
74 3U1T MLI 0.002485 0.44738 2.91262
75 3RK0 AMP 0.001113 0.42605 2.95359
76 4LHM AZZ 0.009028 0.40995 2.95455
77 1DLJ UGA 0.004007 0.4196 2.98507
78 1DLJ NAI 0.004007 0.4196 2.98507
79 1VDC FAD 0.0006291 0.44797 3.003
80 3LZW NAP 0.002198 0.43506 3.01205
81 3LZW FAD 0.001186 0.42843 3.01205
82 9LDT OXM 0.01933 0.42575 3.01205
83 9LDB NAD 0.003386 0.40365 3.01205
84 3PC3 P1T 0.0002135 0.4211 3.03605
85 2ZWS PLM 0.001683 0.49257 3.06644
86 1LVL FAD 0.0007394 0.44137 3.06644
87 1V5F FAD 0.02018 0.42707 3.06644
88 1V5F TPP 0.02018 0.42707 3.06644
89 2YC5 6BC 0.001014 0.4273 3.07018
90 2AE2 PTO 0.003426 0.41385 3.07692
91 2AE2 NAP 0.003426 0.41385 3.07692
92 3PXP MYR 0.00008424 0.45097 3.08219
93 3MD0 GDP 0.001517 0.4314 3.09859
94 1LTH NAD 0.01036 0.40985 3.1348
95 3ICC NAP 0.003256 0.40554 3.13725
96 4IXW IXW 0.001338 0.43361 3.14961
97 1YAG ATP 0.001698 0.40338 3.2
98 1Q0H NDP 0.00438 0.41646 3.20197
99 1Q0H FOM 0.008573 0.40385 3.20197
100 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.001896 0.4314 3.20513
101 1FBL HTA 0.001563 0.42551 3.24324
102 1WRA PC 0.02268 0.40274 3.24675
103 2ZJF BSU 0.0007679 0.43756 3.31492
104 4B9E FAH 0.004121 0.4372 3.32226
105 1ULE GLA GAL NAG 0.0047 0.4416 3.33333
106 1GAD NAD 0.00114 0.41426 3.33333
107 4UAL 3FV 0.002312 0.40102 3.34129
108 1D6H COA 0.004825 0.41132 3.35917
109 1P4V GLY 0.02142 0.40478 3.38983
110 1F1V DHY 0.007477 0.40345 3.40557
111 1GJW GLC 0.0001149 0.50917 3.40716
112 2FR6 CTN 0.0008473 0.41185 3.42466
113 2JAR UMP 0.0005447 0.41833 3.5
114 4DYO SD4 0.002886 0.42014 3.50515
115 2BO4 FLC 0.0007376 0.47181 3.52645
116 1ZZ7 S0H 0.003128 0.42407 3.53535
117 2ZSC BTN 0.001492 0.41645 3.5461
118 1BGQ RDC 0.001372 0.41151 3.55556
119 1J5P NAD 0.002652 0.40319 3.55731
120 4JWX 1N4 0.006376 0.41118 3.57143
121 3TFC PEP 0.004455 0.41767 3.63636
122 1YFS ALA 0.03234 0.40944 3.65591
123 4A6D SAM 0.001344 0.40115 3.68272
124 2O66 FLC 0.001821 0.43993 3.7037
125 1QF5 GDP 0.001383 0.43519 3.7123
126 1QF5 RPL 0.001383 0.43519 3.7123
127 1TIW TFB 0.002959 0.41406 3.74787
128 1TIW FAD 0.002959 0.41406 3.74787
129 4O8A FAD 0.00286 0.40622 3.74787
130 3C1O NAP 0.002053 0.40231 3.74787
131 1NW5 SAM 0.001329 0.40131 3.76176
132 4HZO COA 0.001714 0.43496 3.77358
133 1YOA FMN 0.02828 0.42484 3.77358
134 2R40 EPH 0.0007216 0.42646 3.80228
135 2R40 20E 0.001671 0.40533 3.80228
136 1XX4 BAM 0.01145 0.40297 3.83142
137 3I0O SMI 0.004687 0.42224 3.83481
138 4KXV TDP DX5 0.002823 0.4148 3.91823
139 3LTW HLZ 0.01267 0.40882 3.92857
140 3WBF API 0.004803 0.40081 3.93443
141 4L6C 0BT 0.0006499 0.40076 3.9604
142 1SOW NAD 0.00145 0.41792 3.96341
143 2WOR 2AN 0.01225 0.42117 4
144 2IZ1 ATR 0.003728 0.43261 4.00844
145 1Y7P RIP 0.01136 0.4231 4.03587
146 2CKM AA7 0.005937 0.40611 4.05157
147 1P9B IMO 0.0009877 0.41306 4.0724
148 1MOQ GLP 0.00163 0.40225 4.07609
149 2YIV YIV 0.00399 0.44503 4.08859
150 3GTD MLI 0.003538 0.42751 4.08859
151 3TDC 0EU 0.001487 0.42523 4.08859
152 2YIV NBN 0.00877 0.42197 4.08859
153 4F8L GAL 0.007058 0.45826 4.13793
154 1X54 4AD 0.0004792 0.42369 4.14747
155 3ZJX BOG 0.02493 0.4037 4.15225
156 4JP3 CIT 0.003699 0.40628 4.1841
157 3DAG FEG 0.002271 0.40244 4.18994
158 4AF5 CIT 0.002044 0.44426 4.21053
159 2XCG XCG 0.001077 0.41967 4.23077
160 1OAA OAA 0.004797 0.41141 4.2471
161 4WBD ADP 0.002768 0.44521 4.25139
162 4WBD CIT 0.003993 0.44502 4.25139
163 4JCA CIT 0.02252 0.42224 4.25894
164 3B6C SDN 0.003372 0.44689 4.2735
165 2PT9 S4M 0.000641 0.42116 4.36137
166 2PT9 2MH 0.00362 0.40637 4.36137
167 3JQ3 ADP 0.003372 0.41246 4.37158
168 2QA1 FAD 0.005516 0.401 4.4
169 4EKV BTN 0.00218 0.41297 4.40252
170 3A1I UNU 0.002301 0.41895 4.41459
171 3EW2 BTN 0.006067 0.40712 4.44444
172 2WCI GSH 0.01443 0.40113 4.44444
173 1I2B NAD 0.006494 0.4148 4.45545
174 1I2B USQ 0.006494 0.4148 4.45545
175 1I2B UPG 0.006494 0.4148 4.45545
176 1NZY BCA 0.002482 0.40418 4.46097
177 2VAR AMP 0.0003276 0.452 4.47284
178 2VAR KDF 0.001631 0.41976 4.47284
179 1EP2 ORO 0.001457 0.42043 4.50161
180 1EP2 FMN 0.001733 0.40956 4.50161
181 1S8F GDP 0.003701 0.40193 4.51977
182 2XVE FAD 0.009476 0.41268 4.52586
183 1FIQ FAD 0.0005781 0.43471 4.56621
184 1FIQ SAL 0.003061 0.40648 4.56621
185 1QO0 BMD 0.003442 0.43416 4.59966
186 1PEA ACM 0.008235 0.42985 4.59966
187 4W6Z ETF 0.0008056 0.48786 4.61095
188 3NKS FAD 0.001281 0.42607 4.61216
189 1Y9Q MED 0.003981 0.43134 4.6875
190 1KTC NGA 0.002717 0.42663 4.69136
191 1R6D NAD 0.004567 0.41986 4.74777
192 2C31 ADP 0.0143 0.41052 4.75352
193 2C31 TZD 0.01477 0.41052 4.75352
194 1H16 PYR 0.01144 0.42294 4.77002
195 2EWM NAD 0.0009175 0.42353 4.81928
196 4OE4 NAD 0.001547 0.41489 4.82759
197 2IYG FMN 0.000433 0.44157 4.83871
198 4J7H TLO 0.001584 0.40267 4.88323
199 4M51 BEZ 0.0003978 0.49325 4.91803
200 3F81 STT 0.005042 0.44787 4.91803
201 1XE7 GUN 0.01958 0.41816 4.92611
202 1LNX URI 0.004182 0.41882 4.93827
203 1YRX FMN 0.00101 0.42268 4.95868
204 1A59 CIT 0.005737 0.43053 5.02645
205 1A59 COA 0.001721 0.40146 5.02645
206 1KYV RBF 0.0001829 0.42057 5.03145
207 4RJK PYR 0.00002215 0.59606 5.07881
208 4NE2 SH2 0.003862 0.40654 5.08982
209 2BZ1 TAU 0.008954 0.45255 5.10204
210 4PO2 ASN ARG LEU LEU LEU THR GLY 0.002253 0.40094 5.10638
211 1Q11 TYE 0.0005235 0.4564 5.10753
212 2Q8M AMP 0.004005 0.40497 5.12048
213 2OWZ CIT 0.01571 0.40464 5.12048
214 2YVF FAD 0.009992 0.41112 5.14706
215 3H86 AP5 0.01474 0.40012 5.20833
216 3OIG NAD 0.006515 0.41762 5.26316
217 3AYS CT3 0.006192 0.40214 5.31915
218 1Z44 NPO 0.02739 0.42561 5.32544
219 1HDR NAD 0.002472 0.42664 5.32787
220 1ZJ6 G3D 0.003481 0.40728 5.34759
221 1R37 NAD 0.004723 0.40226 5.45145
222 1Y1A GSH 0.03613 0.41646 5.46448
223 3UEC ALA ARG TPO LYS 0.0211 0.40421 5.47945
224 1ECM TSA 0.007171 0.40419 5.50459
225 2F01 BTN 0.01547 0.40626 5.51181
226 2F01 BTQ 0.01588 0.40581 5.51181
227 1SQ5 PAU 0.002741 0.42647 5.51948
228 3FPZ AHZ 0.005181 0.43141 5.52147
229 3IA4 MTX 0.01271 0.40089 5.55556
230 3QDT A2G GAL 0.0003141 0.49819 5.59441
231 3QDY A2G GAL 0.0003226 0.49763 5.59441
232 3QDY CBS 0.002042 0.45133 5.59441
233 1SC3 MLI 0.02081 0.41035 5.61798
234 2J7T 274 0.0004054 0.43291 5.62914
235 2XDQ MGX 0.01434 0.425 5.86957
236 1Y75 NAG 0.006348 0.40633 5.9322
237 3CF6 SP1 0.002429 0.40435 5.98802
238 1C0I BE2 0.0003952 0.45351 6.06061
239 1C0I FAD 0.0003952 0.45351 6.06061
240 2Q37 3AL 0.01436 0.40122 6.07735
241 1OGD RIP 0.003531 0.42188 6.10687
242 1B5E DCM 0.002484 0.42277 6.13288
243 2NVK NAP 0.0009627 0.44539 6.14754
244 3OND NAD 0.003791 0.41881 6.14754
245 3OND ADN 0.003791 0.41881 6.14754
246 4EXO PYR 0.003789 0.44611 6.16438
247 3GM5 CIT 0.00221 0.44275 6.28931
248 3MAG 3MA 0.01535 0.43105 6.30324
249 1H8G CHT 0.001714 0.49214 6.31579
250 1GPJ CIT 0.006779 0.421 6.43564
251 1M5B BN1 0.003104 0.42855 6.46388
252 3O2K QRP 0.001343 0.42808 6.54008
253 1A8S PPI 0.002502 0.41509 6.59341
254 1Y42 TYR 0.001296 0.44001 6.64395
255 3K37 BCZ 0.03014 0.40072 6.64395
256 2GJ3 FAD 0.0002233 0.43102 6.66667
257 2E1A MSE 0.008171 0.4019 6.66667
258 4NAO AKG 0.003382 0.44118 6.74847
259 4B16 NAG 0.01526 0.43118 6.76692
260 1RZM PEP 0.01112 0.40109 6.80473
261 2YPO PHE 0.0007615 0.42492 6.81431
262 3RFV NAI 0.002887 0.40191 6.81431
263 4K30 NLG 0.0001837 0.47533 6.875
264 4LS3 HIS 0.03795 0.40325 6.90691
265 4B8V NDG NAG NAG NAG 0.002136 0.40491 7.01754
266 3BY8 MLT 0.003006 0.44355 7.04225
267 3K3G MMU 0.002488 0.4311 7.05882
268 4MGA 27L 0.02301 0.42948 7.05882
269 1R27 MGD 0.003601 0.40878 7.15503
270 2QLX RM4 0.0008921 0.46798 7.40741
271 3R51 MMA 0.00007327 0.54009 7.5
272 2W3L DRO 0.01016 0.43256 7.63889
273 2F2U M77 0.002747 0.41594 7.71144
274 1Y2W NAG 0.0009288 0.45955 7.74648
275 3RF4 FUN 0.0009933 0.44482 7.75862
276 2VKL MLT 0.01867 0.42655 7.77778
277 1SS4 GSH 0.00006368 0.58349 7.84314
278 1SS4 CIT 0.0008228 0.45821 7.84314
279 3ZPG 5GP 0.008052 0.43764 7.8534
280 1TDF NAP 0.002938 0.43768 7.91139
281 1TDF FAD 0.003134 0.42102 7.91139
282 3NOJ PYR 0.001547 0.43984 7.98319
283 1C1L GAL BGC 0.004664 0.43471 8.0292
284 1A5Z OXM 0.004683 0.44168 8.15047
285 1WGC SIA GAL BGC 0.04299 0.40727 8.18713
286 4NTD FAD 0.003835 0.40998 8.23529
287 3QP4 HL0 0.002523 0.40377 8.24176
288 2Y7P SAL 0.000963 0.44538 8.25688
289 2F59 INI 0.001535 0.40313 8.28025
290 1I0Z OXM 0.01843 0.41948 8.34753
291 4PU6 ASP 0.02401 0.40316 8.39695
292 1I0B PEL 0.001205 0.47268 8.43373
293 1NVU GTP 0.01123 0.40571 8.43373
294 2OFE NAG 0.0006598 0.46617 8.4507
295 1G8S MET 0.004574 0.42864 8.69565
296 3T1A 5MA 0.001485 0.40361 8.70337
297 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.01121 0.42695 8.78661
298 3ZF8 GDP 0.004919 0.40605 8.85246
299 2V5E SCR 0.0003631 0.51648 8.91089
300 1M2Z BOG 0.02146 0.40028 8.94942
301 2HGZ PBF 0.001999 0.4027 9.02896
302 1N9L FMN 0.001674 0.40185 9.17431
303 1G0N PHH 0.0003667 0.45039 9.18728
304 1G0N NDP 0.0009124 0.43255 9.18728
305 3W8S GSH 0.0009538 0.45204 9.2233
306 1NU4 MLA 0.0005049 0.52136 9.27835
307 2QCX PF1 0.001403 0.44481 9.5057
308 5RHN 8BR 0.002932 0.40144 9.56522
309 2BOI MFU 0.008124 0.40678 9.73451
310 3SJ0 DXC 0.0121 0.41548 9.85915
311 1APZ ASP 0.01592 0.41236 9.87654
312 1W7J ADP BEF 0.002428 0.40028 9.93377
313 3CQD ATP 0.001457 0.42406 10.0324
314 3PFG SAM 0.003191 0.41498 10.2662
315 3PFG TLO 0.003191 0.41498 10.2662
316 3PMD 11A 0.00121 0.42985 10.4575
317 1T0S BML 0.0003892 0.49371 10.4651
318 1F8F NAD 0.001799 0.43605 10.7817
319 1H2B NAJ 0.004412 0.40212 10.8635
320 2DTX BMA 0.000514 0.44275 10.9848
321 4N7C AEF 0.0183 0.40709 11.3636
322 3FXU TSU 0.0005469 0.42175 11.4754
323 1B8U OAA 0.0002599 0.4442 11.5502
324 4F4S EFO 0.002965 0.42505 11.8421
325 4G28 0W8 0.007816 0.40267 12.7451
326 2P8O BVA 0.002451 0.40014 13.4021
327 4B9K TG0 0.01641 0.4073 13.4615
328 1JN2 SFP 0.000008039 0.6489 13.5021
329 4G4S LDZ 0.001686 0.40578 13.8889
330 3D3W NAP 0.0008339 0.42498 13.9344
331 1PR9 NAP 0.00193 0.41483 13.9344
332 1BTN I3P 0.001423 0.50699 15.0943
333 2FH5 GTP 0.001067 0.40445 15.1351
334 1EXB NDP 0.01665 0.4079 15.534
335 2JGS BTN 0.006204 0.41428 16.1538
336 5DRN 5CT 0.03643 0.40769 16.2037
337 1GU3 BGC BGC BGC BGC BGC 0.006847 0.40989 18.1208
338 4O4Z N2O 0.00514 0.45248 20.1299
339 2DWU DGL 0.0002086 0.46612 20.6522
340 3S9K CIT 0.006116 0.43998 21.1864
341 1MXI SAH 0.001067 0.40846 22.5
342 2FYU FDN 0.0004407 0.42144 26.9231
343 2DDH HXD 0.0006244 0.43574 27.2572
344 2FOI JPA 0.004114 0.40908 33.3333
345 2C0U FAD NBT 0.0007788 0.46403 33.9408
346 1UO5 PIH 0.0007294 0.51256 35.2941
347 1UO4 PIH 0.0009501 0.49457 38.2353
348 5AHS FAD 0.02144 0.40388 42.6434
349 3GQT UFO 0.007205 0.41635 42.8571
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