Receptor
PDB id Resolution Class Description Source Keywords
3UYK 1.7 Å EC: 2.4.1.- SPINOSYN RHAMNOSYLTRANSFERASE SPNG COMPLEXED WITH SPINOSYN A SACCHAROPOLYSPORA SPINOSA GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURAL STUDIES OF THE SPINOSYN RHAMNOSYLTRANSFE SPNG. BIOCHEMISTRY V. 51 1213 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0CX B:387;
Valid;
none;
submit data
402.524 C24 H34 O5 CC[C@...
BGC B:388;
Invalid;
none;
submit data
180.156 C6 H12 O6 C([C@...
MG A:387;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3UYK 1.7 Å EC: 2.4.1.- SPINOSYN RHAMNOSYLTRANSFERASE SPNG COMPLEXED WITH SPINOSYN A SACCHAROPOLYSPORA SPINOSA GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURAL STUDIES OF THE SPINOSYN RHAMNOSYLTRANSFE SPNG. BIOCHEMISTRY V. 51 1213 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 3UYK - 0CX C24 H34 O5 CC[C@H]1CC....
2 3UYL - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 3UYK - 0CX C24 H34 O5 CC[C@H]1CC....
2 3UYL - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 3UYK - 0CX C24 H34 O5 CC[C@H]1CC....
2 3UYL - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0CX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 0CX 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3UYK; Ligand: 0CX; Similar sites found: 85
This union binding pocket(no: 1) in the query (biounit: 3uyk.bio1) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VWA PTY 0.042 0.41962 None
2 1HXD BTN 0.02196 0.40174 1.55763
3 1RZU ADP 0.03973 0.40194 1.64948
4 2R3A SAM 0.01909 0.40462 1.66667
5 1TMX BEZ 0.02805 0.41363 1.70648
6 1V3S ATP 0.008647 0.41432 1.72414
7 2X1L ADN 0.03087 0.40766 1.80879
8 1D8C GLV 0.02095 0.44345 2.06718
9 2OQ5 BEN 0.008417 0.44741 2.15517
10 4UBS DIF 0.04779 0.41046 2.32558
11 4WCX MET 0.04675 0.40176 2.32558
12 2BR6 HSL 0.01229 0.40739 2.38095
13 3HBN UDP 0.01246 0.41339 2.48227
14 3EFS BTN 0.01279 0.40965 2.57511
15 4AG5 ADP 0.04862 0.40629 2.58398
16 2Q37 3AL 0.04625 0.40608 2.76243
17 1RTF BEN 0.01287 0.43789 2.77778
18 4G05 JZ3 0.0289 0.41606 2.83912
19 3B12 FAH 0.03909 0.41072 2.96053
20 1KSK URA 0.002088 0.48496 2.99145
21 4AVB CMP 0.00916 0.43082 3.003
22 3KYF 5GP 5GP 0.02028 0.41714 3.0303
23 2BOY BHO 0.02562 0.40826 3.14961
24 1T5C ADP 0.04332 0.41155 3.15186
25 2ZWI C5P 0.01489 0.42409 3.21716
26 3K8L CEX 0.04753 0.41143 3.35917
27 3IWJ NAD 0.02211 0.4016 3.35917
28 1XX4 BAM 0.02013 0.42909 3.44828
29 1YQC GLV 0.04216 0.41461 3.52941
30 1K4M CIT 0.04024 0.41351 3.61757
31 2PFZ PCA 0.02058 0.427 3.65448
32 2C1P FNZ 0.02831 0.40962 3.68664
33 4O8A 2OP 0.0364 0.41494 3.87597
34 1PVS 7HP 0.005942 0.4628 3.90071
35 4BG4 ARG 0.03909 0.40917 3.93258
36 2AJH MET 0.04443 0.40615 4.08163
37 2J5V PCA 0.005834 0.46132 4.35967
38 3GDN MXN 0.0124 0.4571 4.39277
39 2Z4T C5P 0.02115 0.41619 4.39277
40 1KC7 PPR 0.04591 0.40907 4.39277
41 3IP8 B85 0.02976 0.40849 4.43548
42 2VMG MBG 0.01634 0.42832 4.4586
43 1A0J BEN 0.02631 0.41963 4.4843
44 1DMH MCT 0.03298 0.40988 4.50161
45 3CQL NAG 0.03775 0.41238 4.52675
46 1VCE SAH 0.02055 0.40011 4.5283
47 3NOJ PYR 0.008003 0.46 4.62185
48 4X8D AVI 0.02457 0.40185 4.65116
49 4REL KMP 0.0004543 0.43416 4.93274
50 2GEK GDP 0.02388 0.40981 5.42636
51 3A76 SPD 0.04867 0.40578 5.42636
52 2C1X UDP 0.001572 0.40344 5.42636
53 2OG2 MLI 0.04465 0.40901 5.57103
54 3VOZ 04A 0.009866 0.45706 5.71429
55 3O01 DXC 0.02921 0.41968 5.84416
56 3CV2 OXL 0.02959 0.42746 5.94315
57 3KYQ DPV 0.01707 0.42944 7.03518
58 3G5S GSH 0.02016 0.42125 7.23514
59 2OUA AES 0.03339 0.40864 7.44681
60 1IZC PYR 0.004644 0.47885 7.66962
61 4Q3F TLA 0.009567 0.42237 7.69231
62 4L80 OXL 0.04574 0.40459 7.75862
63 2V5K OXM 0.04345 0.41115 8.01394
64 3H4T UDP 0.003319 0.42971 8.26873
65 3N7S 3N7 0.02765 0.42119 8.69565
66 1SZ2 BGC 0.04803 0.40487 8.73494
67 1NXJ TLA 0.006734 0.45204 8.74317
68 1P7T PYR 0.02095 0.43691 8.78553
69 1V9A SAH 0.00863 0.42446 9.20502
70 3IAA TYD 0.001061 0.45551 9.30233
71 3RSC TYD 0.001969 0.43976 9.30233
72 4EXO PYR 0.04497 0.41057 9.58904
73 5TP0 BRN 0.02206 0.42411 9.82143
74 1JHG TRP 0.0314 0.41725 9.90099
75 4OKS 2T9 0.03697 0.40722 10.3359
76 4Z28 BTN 0.03018 0.40817 11.194
77 5FUI APY 0.008908 0.44849 11.3636
78 1RRV TYD 0.01228 0.41369 11.3695
79 3AB4 LYS 0.02359 0.41763 11.7978
80 2PKA BEN 0.03885 0.41083 12.5
81 1H2K OGA 0.04698 0.40164 19.5122
82 2VOH CIT 0.04667 0.4207 30.7692
83 3OTH TYD 0.008616 0.42449 40.7767
84 3OTI TYD 0.00003686 0.51624 42.6357
85 4RIF 3R2 0.00003661 0.44104 45.9103
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