Receptor
PDB id Resolution Class Description Source Keywords
3FW9 1.49 Å EC: 1.21.3.3 STRUCTURE OF BERBERINE BRIDGE ENZYME IN COMPLEX WITH (S)-SCO ESCHSCHOLZIA CALIFORNICA BI-COVALENT FLAVINYLATION N-GLYCOSYLATION ALAKLOID BIOSYNTOXIDOREDUCTASE ALKALOID METABOLISM CYTOPLASMIC VESICLE FFLAVOPROTEIN GLYCOPROTEIN
Ref.: STRUCTURAL ROLES OF BIOCOVALENT FLANINYLATION IN BE BRIDGE ENZYME TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:1;
Part of Protein;
none;
submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
MG A:524;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
NAG A:523;
Part of Protein;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG MAN A:521;
Part of Protein;
none;
submit data n/a n/a n/a n/a
SLX A:2;
Valid;
none;
submit data
327.374 C19 H21 N O4 COc1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3FW9 1.49 Å EC: 1.21.3.3 STRUCTURE OF BERBERINE BRIDGE ENZYME IN COMPLEX WITH (S)-SCO ESCHSCHOLZIA CALIFORNICA BI-COVALENT FLAVINYLATION N-GLYCOSYLATION ALAKLOID BIOSYNTOXIDOREDUCTASE ALKALOID METABOLISM CYTOPLASMIC VESICLE FFLAVOPROTEIN GLYCOPROTEIN
Ref.: STRUCTURAL ROLES OF BIOCOVALENT FLANINYLATION IN BE BRIDGE ENZYME TO BE PUBLISHED
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3FW9 - SLX C19 H21 N O4 COc1ccc2c(....
2 3GSY - DEH C19 H18 N O4 COc1ccc2cc....
3 3FWA - REN C19 H23 N O4 C[N@@]1CCc....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3FW9 - SLX C19 H21 N O4 COc1ccc2c(....
2 3GSY - DEH C19 H18 N O4 COc1ccc2cc....
3 3FWA - REN C19 H23 N O4 C[N@@]1CCc....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3FW9 - SLX C19 H21 N O4 COc1ccc2c(....
2 3GSY - DEH C19 H18 N O4 COc1ccc2cc....
3 3FWA - REN C19 H23 N O4 C[N@@]1CCc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SLX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 SLX 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3FW9; Ligand: SLX; Similar sites found: 114
This union binding pocket(no: 1) in the query (biounit: 3fw9.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5MZI FAD 0.02723 0.41126 1.51844
2 5MZI FYK 0.02805 0.41126 1.51844
3 5G3U ITW 0.02514 0.40426 1.65485
4 5F3I 5UJ 0.01512 0.42032 1.66667
5 1OJJ GLC GAL 0.01358 0.40962 1.74129
6 4BVA T3 0.01452 0.41016 1.79104
7 1SDW IYT 0.006135 0.41778 1.91083
8 2OVW CBI 0.001292 0.46612 1.94647
9 2ZL7 FUC GAL NGA 0.02851 0.40111 2.0339
10 3D91 REM 0.02697 0.41211 2.05279
11 3RGA LSB 0.003288 0.42198 2.12014
12 2WA4 069 0.0004152 0.47281 2.29226
13 4UWJ MYA 0.01957 0.42087 2.42424
14 4UWJ 7L5 0.01957 0.42087 2.42424
15 3AVR OGA 0.01231 0.41949 2.42424
16 4OPC FDA 0.03379 0.42273 2.42826
17 4DE9 VTP 0.0006453 0.46258 2.44755
18 2AGC DAO 0.00232 0.44768 2.46914
19 2WSA MYA 0.01238 0.4392 2.51142
20 2WSA 646 0.01238 0.4392 2.51142
21 1GQG DCD 0.004203 0.41521 2.57143
22 1GP6 DH2 0.01002 0.4018 2.80899
23 1GP6 SIN 0.01002 0.4018 2.80899
24 1GP6 QUE 0.01123 0.40107 2.80899
25 2BCG GER 0.006191 0.42657 2.91262
26 5T7I LAT NAG GAL 0.002118 0.45842 3.22581
27 2VJJ RAM GLC GAL NAG NAG GLC 0.0159 0.40197 3.23232
28 4YVN EBS 0.02491 0.40182 3.23232
29 1U0A BGC BGC BGC BGC 0.001635 0.41605 3.27103
30 2OVD DAO 0.00374 0.44549 3.2967
31 5A3T MMK 0.006357 0.41766 3.3264
32 2XMY CDK 0.02888 0.41187 3.3557
33 3PUR 2HG 0.0241 0.40162 3.43434
34 4OMJ 2TX 0.0116 0.40825 3.59712
35 4OCT AKG 0.002282 0.44286 3.6036
36 4GQP B40 0.005238 0.44848 3.61446
37 4JH6 FCN 0.02096 0.40023 3.62319
38 4YGF AZM 0.006099 0.40273 3.63636
39 3KFF ZBT 0.001284 0.46625 3.7037
40 3KFF XBT 0.001284 0.46625 3.7037
41 2GJ5 VD3 0.0131 0.41023 3.7037
42 4KYS VIB 0.01078 0.41925 3.74707
43 4D4U FUC NDG GAL FUC 0.01971 0.40795 3.80952
44 3QRC SCR 0.00003677 0.58179 3.82166
45 3BRN SRO 0.01542 0.41429 3.82166
46 2YNE YNE 0.03233 0.41289 3.83838
47 2YNE NHW 0.03233 0.41289 3.83838
48 3WG3 A2G GAL NAG FUC 0.003887 0.44418 3.93258
49 1QY1 PRZ 0.002638 0.42225 4.02299
50 2ZHL NAG GAL GAL NAG 0.009963 0.40785 4.05405
51 3VQ2 LP4 LP5 MYR DAO 0.01338 0.41468 4.16667
52 5D3X 4IP 0.009631 0.41838 4.19162
53 5IVE 6E8 0.01251 0.40433 4.24242
54 4RFR RHN 0.00498 0.40652 4.4335
55 3FW4 CAQ 0.009441 0.40444 4.49438
56 1I7E IBS 0.0131 0.4169 4.5283
57 4GCZ FMN 0.00528 0.40542 4.67532
58 5H2D ERG 0.00811 0.4027 4.84848
59 3GL0 HXX 0.004049 0.42629 4.87106
60 1EPB REA 0.003359 0.42156 5.4878
61 3CBC DBS 0.007747 0.43468 5.55556
62 3NNT DQA 0.01195 0.40812 5.7971
63 1I82 BGC BGC 0.008061 0.42788 5.82011
64 2GC0 PAN 0.001307 0.43562 5.85106
65 3B00 16A 0.01478 0.40364 5.88235
66 4FE2 ASP 0.01458 0.40041 5.88235
67 3Q8G PEE 0.006917 0.43676 5.9375
68 2ET1 GLV 0.002291 0.45567 5.97015
69 3KRO DST 0.006642 0.41124 6.44068
70 5IXG OTP 0.03011 0.4005 6.50888
71 1OGZ EQU 0.009916 0.40794 6.66667
72 2HZQ STR 0.02418 0.40327 6.89655
73 2G30 ALA ALA PHE 0.002608 0.44226 6.97674
74 4Q0L V14 0.00846 0.40507 7.22433
75 3MTX PGT 0.0005295 0.46794 7.28477
76 4IAW LIZ 0.003488 0.43398 7.44681
77 1J3R 6PG 0.0002868 0.4259 7.47475
78 4PSB GA3 0.01204 0.40866 7.74194
79 5HCF BGC 0.008327 0.42288 7.74908
80 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.002835 0.41704 7.9646
81 4K55 H6P 0.00002854 0.55831 8.06452
82 2QL9 CIT 0.002034 0.45634 8.09249
83 3SAO DBH 0.001938 0.4586 8.125
84 3SAO NKN 0.001757 0.44834 8.125
85 3E8T UQ8 0.01944 0.41574 8.18182
86 5C5T AKG 0.007947 0.42119 8.33333
87 2WMC MGP 0.0124 0.41605 8.42697
88 1N5S ADL 0.0005017 0.45863 8.92857
89 4FHD EEM 0.009061 0.41194 8.96739
90 2VYT MLZ 0.01896 0.41817 9.50226
91 1ZZ7 S0H 0.004289 0.43962 9.59596
92 4N7C AEF 0.01601 0.40693 9.65909
93 4WVW SLT 0.0002403 0.50932 11.1111
94 1ZM1 BGC BGC BGC 0.003059 0.40622 11.2033
95 5DQ8 FLF 0.009862 0.40058 11.25
96 4MNS 2AX 0.0168 0.41428 11.3208
97 5T46 MGP 0.03228 0.40101 12.1212
98 5EOB 5QQ 0.02066 0.41301 12.5392
99 3OYW TDG 0.01189 0.41707 12.6866
100 5AIG VPR 0.00598 0.42267 13.6
101 4L4J NAG NAG BMA MAN NAG 0.001266 0.47014 14.0271
102 1DZK PRZ 0.0009967 0.44996 14.6497
103 5ML3 DL3 0.006534 0.42425 14.7651
104 5BVB DOG 0.003794 0.40188 15.1515
105 2Y3S TIR 0.0001667 0.46241 15.6604
106 2IPI AKY 0.001775 0.434 15.7576
107 1ULE GLA GAL NAG 0.008225 0.42008 17.3333
108 2VFT SOR 0.01115 0.40958 22.4242
109 4R38 RBF 0.002404 0.41315 23.5714
110 5FU3 BGC BGC BGC 0.0113 0.41975 25.4717
111 2AXR ABL 0.0005989 0.48277 40.6061
112 3PQB VGP 0.000002297 0.5552 42.2222
113 3W8X FAD 0.004524 0.4397 42.9487
114 3W8X FTK 0.0006311 0.42437 42.9487
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