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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 26 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 23 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 with APoc: 135
This union binding pocket(no: 1) in the query (biounit: 3uyk.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 4WG0 CHD None
2 2VWA PTY None
3 3KP6 SAL 1.3245
4 1L7N ALF 1.4218
5 1HXD BTN 1.55763
6 1RZU ADP 1.64948
7 2R3A SAM 1.66667
8 1TMX BEZ 1.70648
9 1V3S ATP 1.72414
10 2X1L ADN 1.80879
11 1D8C GLV 2.06718
12 5KJW 53C 2.06718
13 2OQ5 BEN 2.15517
14 5N26 CPT 2.1978
15 5NM7 GLY 2.25564
16 4UBS DIF 2.32558
17 4WCX MET 2.32558
18 2BR6 HSL 2.38095
19 3HBN UDP 2.48227
20 3EFS BTN 2.57511
21 1LSH PLD 2.58398
22 4AG5 ADP 2.58398
23 1DQN IMU 2.6087
24 5EXK MET 2.71903
25 2Q37 3AL 2.76243
26 1RTF BEN 2.77778
27 4G05 JZ3 2.83912
28 6E1Q CFA 2.84238
29 5TV6 PML 2.91667
30 3B12 FAH 2.96053
31 1KSK URA 2.99145
32 4AVB CMP 3.003
33 3KYF 5GP 5GP 3.0303
34 2BOY BHO 3.14961
35 1T5C ADP 3.15186
36 2ZWI C5P 3.21716
37 3ZLQ 6T9 3.27869
38 3IWJ NAD 3.35917
39 5C9P FUC 3.41207
40 1XX4 BAM 3.44828
41 3A06 NDP 3.45745
42 1YQC GLV 3.52941
43 2NU8 COA 3.61757
44 1K4M CIT 3.61757
45 3VSV XYS 3.61757
46 2PFZ PCA 3.65448
47 2C1P FNZ 3.68664
48 2VAR AMP 3.83387
49 5ZYN SIN 3.87597
50 4O8A 2OP 3.87597
51 1PVS 7HP 3.90071
52 4BG4 ARG 3.93258
53 2XZ9 PYR 4.01235
54 2AJH MET 4.08163
55 1NU4 MLA 4.12371
56 5Z2F PDC 4.15094
57 5H4S RAM 4.22535
58 2J5V PCA 4.35967
59 3GDN MXN 4.39277
60 2Z4T C5P 4.39277
61 1KC7 PPR 4.39277
62 3IP8 B85 4.43548
63 2VMG MBG 4.4586
64 1A0J BEN 4.4843
65 1DMH MCT 4.50161
66 3CQL NAG 4.52675
67 1VCE SAH 4.5283
68 3NOJ PYR 4.62185
69 3UG4 AHR 4.65116
70 4X8D AVI 4.65116
71 1LVW TYD 4.74576
72 4REL KMP 4.93274
73 4DDY DN6 4.94297
74 3PCJ INO 5
75 5JIB OIA 5.04451
76 1JG9 GLC 5.16796
77 2GEK GDP 5.42636
78 2C1X UDP 5.42636
79 3A76 SPD 5.42636
80 1SQL GUN 5.47945
81 2OG2 MLI 5.57103
82 3GUZ PAF 5.68182
83 4KVL PLM 5.68475
84 3VOZ 04A 5.71429
85 4NTO 1PW 5.7971
86 4F2Q QUS 5.81395
87 3O01 DXC 5.84416
88 2P3V SRT 5.85938
89 3CV2 OXL 5.94315
90 2C3H GLC GLC 6.12245
91 2GKS ADP 6.45995
92 5CIC 51R 6.48148
93 6GNO XDI 6.66667
94 6B74 BEN 6.99588
95 3KYQ DPV 7.03518
96 3G5S GSH 7.23514
97 2RDE C2E 7.23514
98 2OUA AES 7.44681
99 1IZC PYR 7.66962
100 1MID LAP 7.69231
101 4L80 OXL 7.75862
102 5M36 9SZ 7.89474
103 2V5K OXM 8.01394
104 3H4T UDP 8.26873
105 3N7S 3N7 8.69565
106 1SZ2 BGC 8.73494
107 1NXJ TLA 8.74317
108 1P7T PYR 8.78553
109 5O96 SAM 8.97959
110 4B5W PYR 8.98438
111 5WXU FLC 9.04393
112 2C9O ADP 9.04393
113 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 9.18367
114 1V9A SAH 9.20502
115 3IAA TYD 9.30233
116 3RSC TYD 9.30233
117 4EXO PYR 9.58904
118 3I53 SAH 9.63855
119 5TP0 BRN 9.82143
120 1JHG TRP 9.90099
121 4OKS 2T9 10.3359
122 4Z28 BTN 11.194
123 5FUI APY 11.3636
124 1RRV TYD 11.3695
125 3AB4 LYS 11.7978
126 2PKA BEN 12.5
127 4JLS 3ZE 13.8158
128 5KK4 44E 16.6667
129 4CQK PIO 17.0213
130 1H2K OGA 19.5122
131 5TVI O8N 25
132 2VOH CIT 30.7692
133 3OTH TYD 40.7767
134 3OTI TYD 42.6357
135 4RIF 3R2 45.9103
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