Receptor
PDB id Resolution Class Description Source Keywords
2E4V 2.4 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE EXTRACELLULAR REGION OF THE GROUP I METABOTROPIC GLUTAMATE RECEPTOR COMPLEXED WITH DCG-IV RATTUS NORVEGICUS G-PROTEIN-COUPLED RECEPTOR NEURON CENTRAL NERVE SYSTEM SIPROTEIN
Ref.: STRUCTURES OF THE EXTRACELLULAR REGIONS OF THE GROU METABOTROPIC GLUTAMATE RECEPTORS PROC.NATL.ACAD.SCI.USA V. 104 3759 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2CG A:1001;
B:2001;
 Valid;
Valid;
 none;
none;
 submit data
203.149 C7 H9 N O6 C1([C...
NAG A:801;
B:802;
 Invalid;
Invalid;
 none;
none;
 submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2E4U 2.35 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE EXTRACELLULAR REGION OF THE GROUP I METABOTROPIC GLUTAMATE RECEPTOR COMPLEXED WITH L-GLUTAMATE RATTUS NORVEGICUS G-PROTEIN-COUPLED RECEPTOR NEURON CENTRAL NERVE SYSTEM SIPROTEIN
Ref.: STRUCTURES OF THE EXTRACELLULAR REGIONS OF THE GROU METABOTROPIC GLUTAMATE RECEPTORS PROC.NATL.ACAD.SCI.USA V. 104 3759 2007
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 289 families.
1 2E4U - GLU C5 H9 N O4 C(CC(=O)O)....
2 2E4W - C5A C7 H11 N O4 C1C[C@](C[....
3 2E4V - 2CG C7 H9 N O6 C1([C@H]([....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 2E4U - GLU C5 H9 N O4 C(CC(=O)O)....
2 2E4W - C5A C7 H11 N O4 C1C[C@](C[....
3 2E4V - 2CG C7 H9 N O6 C1([C@H]([....
4 4XAS Ki = 260 nM 40H C10 H13 N O4 C1CC12C[C@....
5 4XAQ Ki = 71.7 nM 40F C8 H11 N O4 C1C[C@]([C....
6 4XAR Ki = 107 nM 40F C8 H11 N O4 C1C[C@]([C....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 2E4U - GLU C5 H9 N O4 C(CC(=O)O)....
2 2E4W - C5A C7 H11 N O4 C1C[C@](C[....
3 2E4V - 2CG C7 H9 N O6 C1([C@H]([....
4 4XAS Ki = 260 nM 40H C10 H13 N O4 C1CC12C[C@....
5 4XAQ Ki = 71.7 nM 40F C8 H11 N O4 C1C[C@]([C....
6 4XAR Ki = 107 nM 40F C8 H11 N O4 C1C[C@]([C....
7 1EWK - GLU C5 H9 N O4 C(CC(=O)O)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 2CG; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 2CG 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 2CG; Similar ligands found: 134
No: Ligand Similarity coefficient
1 40H 0.9452
2 40F 0.9277
3 FLC 0.9239
4 LT8 0.9237
5 ICT 0.9182
6 CIT 0.9164
7 NCD 0.9123
8 OTD 0.9083
9 J01 0.9059
10 TRC 0.9054
11 NQM 0.9003
12 6XI 0.8999
13 MIC 0.8994
14 PDC 0.8985
15 0GZ 0.8971
16 S2T 0.8953
17 5WY 0.8942
18 PRZ 0.8941
19 HMQ 0.8901
20 0GY 0.8898
21 DNC 0.8898
22 V6F 0.8897
23 NFQ 0.8887
24 HA7 0.8886
25 HLD 0.8886
26 1AL 0.8880
27 3MF 0.8857
28 49N 0.8856
29 CCB 0.8845
30 DNF 0.8844
31 PFL 0.8839
32 Q6T 0.8837
33 XX3 0.8834
34 F12 0.8833
35 ICO 0.8832
36 F69 0.8832
37 AOR 0.8829
38 ATH 0.8823
39 AVO 0.8815
40 8VE 0.8804
41 7ZE 0.8801
42 ZB1 0.8800
43 G8M 0.8798
44 TRA 0.8797
45 IPM 0.8797
46 42C 0.8784
47 XQK 0.8783
48 AIN 0.8780
49 39U 0.8775
50 AN0 0.8771
51 UAN 0.8769
52 IAC 0.8769
53 7A3 0.8766
54 KDO 0.8765
55 2ZQ 0.8765
56 67X 0.8762
57 FIX 0.8759
58 AKH 0.8752
59 NVU 0.8748
60 Z5P 0.8746
61 SR4 0.8745
62 791 0.8738
63 OMD 0.8738
64 MQB 0.8737
65 60Q 0.8736
66 KYA 0.8734
67 M5N 0.8722
68 8GK 0.8717
69 LT3 0.8715
70 KAI 0.8715
71 LIP 0.8714
72 FBG 0.8706
73 C2Y 0.8693
74 1PL 0.8691
75 2C0 0.8683
76 4ME 0.8678
77 0F9 0.8678
78 FRU 0.8676
79 6R8 0.8675
80 8XQ 0.8671
81 PQK 0.8670
82 8G0 0.8669
83 MVL 0.8669
84 QM1 0.8667
85 NLG 0.8666
86 NLA 0.8665
87 BK9 0.8662
88 K3Q 0.8662
89 FOT 0.8660
90 ZZ8 0.8657
91 GIV 0.8649
92 DG2 0.8649
93 GAL 0.8639
94 256 0.8631
95 IOS 0.8629
96 M0Q 0.8628
97 O2A 0.8628
98 NZ3 0.8627
99 7VS 0.8627
100 GV9 0.8627
101 HHT 0.8625
102 K2P 0.8622
103 GCU 0.8615
104 GNL 0.8613
105 NSG 0.8613
106 SYA 0.8613
107 293 0.8611
108 NZ2 0.8610
109 ORO 0.8605
110 M0W 0.8598
111 2LY 0.8597
112 92P 0.8595
113 QPR 0.8593
114 M1Q 0.8591
115 M1E 0.8589
116 BM3 0.8584
117 15L 0.8580
118 JF4 0.8579
119 6DP 0.8578
120 BGC 0.8568
121 3MG 0.8561
122 34D 0.8557
123 MMA 0.8555
124 5NE 0.8552
125 SRO 0.8544
126 M3Q 0.8544
127 M2K 0.8539
128 NDG 0.8538
129 MAN 0.8532
130 1X7 0.8531
131 KDG 0.8528
132 II6 0.8526
133 GLA 0.8510
134 IJZ 0.8507
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2E4U; Ligand: GLU; 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: 2e4u.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2E4U; Ligand: GLU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2e4u.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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