Receptor
PDB id Resolution Class Description Source Keywords
1YNS 1.7 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF HUMAN ENOLASE-PHOSPHATASE E1 AND ITS CO A SUBSTRATE ANALOG HOMO SAPIENS HYDROLASE FOLD HYDROLASE
Ref.: CRYSTAL STRUCTURE OF HUMAN E1 ENZYME AND ITS COMPLE SUBSTRATE ANALOG REVEALS THE MECHANISM OF ITS PHOSPHATASE/ENOLASE J.MOL.BIOL. V. 348 917 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HPO A:1261;
Valid;
none;
submit data
194.165 C7 H15 O4 P CCCCC...
MG A:1258;
A:1259;
A:1260;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YNS 1.7 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF HUMAN ENOLASE-PHOSPHATASE E1 AND ITS CO A SUBSTRATE ANALOG HOMO SAPIENS HYDROLASE FOLD HYDROLASE
Ref.: CRYSTAL STRUCTURE OF HUMAN E1 ENZYME AND ITS COMPLE SUBSTRATE ANALOG REVEALS THE MECHANISM OF ITS PHOSPHATASE/ENOLASE J.MOL.BIOL. V. 348 917 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 1YNS - HPO C7 H15 O4 P CCCCCC(=O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 1YNS - HPO C7 H15 O4 P CCCCCC(=O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 1YNS - HPO C7 H15 O4 P CCCCCC(=O)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: HPO; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 HPO 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: HPO; Similar ligands found: 131
No: Ligand Similarity coefficient
1 PUW 0.9320
2 AZM 0.9226
3 N8C 0.9138
4 BGT 0.9115
5 011 0.9111
6 P23 0.9088
7 DMA 0.9088
8 IPE 0.9081
9 M3L 0.9081
10 0CN 0.9052
11 STX 0.9042
12 0CG 0.9040
13 0CM 0.9039
14 OCA 0.9038
15 VFG 0.9023
16 58X 0.8992
17 3W8 0.8982
18 ARG 0.8981
19 GVA 0.8975
20 KNA 0.8974
21 RGP 0.8970
22 DHM 0.8959
23 AG2 0.8951
24 KPC 0.8951
25 LUQ 0.8914
26 1HS 0.8914
27 IPR 0.8909
28 MLZ 0.8899
29 TEG 0.8893
30 EXY 0.8889
31 NWH 0.8889
32 PML 0.8885
33 BOW 0.8883
34 HPN 0.8882
35 D10 0.8881
36 3W3 0.8881
37 ACA 0.8878
38 SHV 0.8873
39 1AE 0.8871
40 E8U 0.8865
41 DKA 0.8859
42 B3M 0.8855
43 3GZ 0.8844
44 4DI 0.8840
45 ENV 0.8840
46 GGG 0.8838
47 3W6 0.8838
48 1N5 0.8836
49 7XA 0.8834
50 CUW 0.8832
51 NMH 0.8827
52 SPD 0.8822
53 KQY 0.8821
54 GGB 0.8807
55 8AC 0.8803
56 OHJ 0.8800
57 LYS 0.8799
58 IAR 0.8797
59 2J3 0.8795
60 MHN 0.8792
61 5SP 0.8789
62 CLT 0.8785
63 DXP 0.8785
64 DED 0.8783
65 64Z 0.8780
66 ENW 0.8776
67 DZA 0.8774
68 N6C 0.8773
69 DIA 0.8770
70 XOG 0.8770
71 AE3 0.8766
72 7MW 0.8761
73 PBN 0.8760
74 JX7 0.8750
75 3H2 0.8747
76 M1T 0.8744
77 0L1 0.8744
78 GLY GLY GLY 0.8744
79 6C4 0.8742
80 ODI 0.8742
81 GRQ 0.8741
82 U4G 0.8740
83 ISY 0.8731
84 VFM 0.8729
85 MLY 0.8728
86 HRG 0.8720
87 8SZ 0.8720
88 ONH 0.8720
89 A5P 0.8715
90 OC9 0.8710
91 5RP 0.8709
92 NPI 0.8708
93 HPL 0.8707
94 FXY 0.8706
95 EGV 0.8705
96 LPA 0.8704
97 NOT 0.8699
98 ZZU 0.8689
99 RES 0.8688
100 5LD 0.8687
101 MZM 0.8687
102 SSB 0.8686
103 PMV 0.8686
104 EIP 0.8685
105 6XA 0.8684
106 DX5 0.8682
107 5TO 0.8680
108 9J6 0.8679
109 DLY 0.8678
110 R52 0.8678
111 HAR 0.8673
112 ALY 0.8670
113 NNH 0.8665
114 4TP 0.8654
115 ASF 0.8650
116 CIR 0.8639
117 7UC 0.8638
118 MVH 0.8635
119 R5P 0.8632
120 DNN 0.8631
121 OYA 0.8631
122 NBB 0.8626
123 DAR 0.8626
124 AHL 0.8624
125 HNE 0.8619
126 DA3 0.8605
127 LXP 0.8602
128 EZ1 0.8592
129 MGB 0.8564
130 ILO 0.8555
131 HJD 0.8554
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YNS; Ligand: HPO; 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: 1yns.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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