Receptor
PDB id Resolution Class Description Source Keywords
4REI 1.49 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF GINSENG MAJOR LATEX-LIKE PROTEIN 151 (G PANAX GINSENG. (CRYSTAL-2) PANAX GINSENG MAJOR LATEX-LIKE PROTEIN PROTEIN BINDING
Ref.: STRUCTURE OF GINSENG MAJOR LATEX-LIKE PROTEIN 151 A PROPOSED LYSOPHOSPHATIDIC ACID-BINDING MECHANISM. ACTA CRYSTALLOGR.,SECT.D V. 71 1039 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3MV A:201;
 Valid;
 none;
 submit data
156.308 C11 H24 CC[C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4REI 1.49 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF GINSENG MAJOR LATEX-LIKE PROTEIN 151 (G PANAX GINSENG. (CRYSTAL-2) PANAX GINSENG MAJOR LATEX-LIKE PROTEIN PROTEIN BINDING
Ref.: STRUCTURE OF GINSENG MAJOR LATEX-LIKE PROTEIN 151 A PROPOSED LYSOPHOSPHATIDIC ACID-BINDING MECHANISM. ACTA CRYSTALLOGR.,SECT.D V. 71 1039 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4REI - 3MV C11 H24 CC[C@@H](C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 4REI - 3MV C11 H24 CC[C@@H](C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 4REI - 3MV C11 H24 CC[C@@H](C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 3MV; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 3MV 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 3MV; Similar ligands found: 127
No: Ligand Similarity coefficient
1 2EH 0.9297
2 SC2 0.9286
3 GLY CYS 0.9143
4 PEP 0.9119
5 LEU 0.9106
6 OAA 0.9081
7 2D8 0.9061
8 IOM 0.9060
9 2PG 0.9053
10 MLE 0.9042
11 AKG 0.9028
12 GLU 0.9027
13 C4L 0.9016
14 SYM 0.9002
15 G2H 0.8987
16 MET 0.8979
17 GLY ALA 0.8965
18 AL0 0.8961
19 JYD 0.8959
20 LYS 0.8947
21 DLY 0.8944
22 DGL 0.8939
23 ICT 0.8932
24 MLT 0.8927
25 4WK 0.8926
26 3LR 0.8925
27 ALA ALA 0.8925
28 MED 0.8925
29 K6V 0.8919
30 HL5 0.8904
31 HIS 0.8903
32 PZI 0.8900
33 2IT 0.8894
34 ASP 0.8889
35 GLN 0.8887
36 DAL DAL 0.8886
37 OEM 0.8879
38 3PG 0.8866
39 CDV 0.8860
40 ONL 0.8859
41 CCB 0.8858
42 ISZ 0.8854
43 SEP 0.8846
44 AN0 0.8844
45 XSP 0.8839
46 ORN 0.8827
47 ICF 0.8825
48 ORO 0.8823
49 GLY PRO 0.8821
50 RNT 0.8809
51 G3P 0.8808
52 MSE 0.8805
53 ZGL 0.8802
54 9ON 0.8800
55 8SZ 0.8799
56 AVI 0.8780
57 PPR 0.8777
58 GP9 0.8776
59 DAS 0.8774
60 791 0.8772
61 AFS 0.8764
62 B2J 0.8755
63 SPV 0.8751
64 IPM 0.8749
65 GTK 0.8748
66 SDD 0.8745
67 GRO 0.8740
68 SER THR 0.8739
69 2AL 0.8735
70 PSJ 0.8725
71 8OZ 0.8720
72 OSE 0.8717
73 LY0 0.8716
74 DIR 0.8713
75 AOS 0.8712
76 HPV 0.8712
77 DOR 0.8711
78 13P 0.8703
79 PEZ 0.8703
80 069 0.8694
81 7C3 0.8692
82 PRZ 0.8692
83 FLC 0.8689
84 GLO 0.8686
85 TEO 0.8684
86 J9T 0.8683
87 DGN 0.8681
88 3MF 0.8678
89 NLP 0.8670
90 MTL 0.8670
91 GGL 0.8663
92 QUS 0.8662
93 3OC 0.8662
94 ASN 0.8655
95 173 0.8654
96 I38 0.8654
97 K6H 0.8652
98 GLY GLY 0.8650
99 NXA 0.8646
100 DDW 0.8642
101 SOR 0.8630
102 S2P 0.8627
103 I1E 0.8626
104 TIH 0.8621
105 RMN 0.8620
106 2TQ 0.8619
107 SAF 0.8613
108 MEQ 0.8613
109 GBN 0.8602
110 0OC 0.8594
111 R67 0.8591
112 UN1 0.8591
113 CRN 0.8586
114 SHI 0.8581
115 KJM 0.8581
116 S2G 0.8581
117 8GL 0.8580
118 8EW 0.8569
119 45L 0.8567
120 4CS 0.8565
121 BRR 0.8565
122 TRA 0.8559
123 DMO 0.8549
124 1GP 0.8527
125 DHI 0.8525
126 HL4 0.8524
127 RJY 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4REI; Ligand: 3MV; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4rei.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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