Receptor
PDB id Resolution Class Description Source Keywords
2HU7 2.01 Å EC: 3.4.19.1 BINDING OF INHIBITORS BY ACYLAMINOACYL PEPTIDASE AEROPYRUM PERNIX ALPHA/BETA HYDROLASE BETA-PROPELLER ENZYME-INHIBITOR COMPLHYDROLASE
Ref.: THE ACYLAMINOACYL PEPTIDASE FROM AEROPYRUM PERNIX K TO BE AN EXOPEPTIDASE DISPLAYS ENDOPEPTIDASE ACTIVI J.MOL.BIOL. V. 368 509 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACE PHE A:1001;
B:2001;
 Valid;
Valid;
 none;
none;
 submit data
n/a n/a
GOL A:3002;
B:3001;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HU5 2 Å EC: 3.4.19.1 BINDING OF INHIBITORS BY ACYLAMINOACYL-PEPTIDASE AEROPYRUM PERNIX ALPHA/BETA HYDROLASE BETA-PROPELLER ENZYME-INHIBITOR COMPLHYDROLASE
Ref.: THE ACYLAMINOACYL PEPTIDASE FROM AEROPYRUM PERNIX K TO BE AN EXOPEPTIDASE DISPLAYS ENDOPEPTIDASE ACTIVI J.MOL.BIOL. V. 368 509 2007
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2HU8 - BE2 GLY PHE n/a n/a
2 2HU5 - GLY PHE n/a n/a
3 2HU7 - ACE PHE n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2HU8 - BE2 GLY PHE n/a n/a
2 2HU5 - GLY PHE n/a n/a
3 2HU7 - ACE PHE n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2HU8 - BE2 GLY PHE n/a n/a
2 2HU5 - GLY PHE n/a n/a
3 2HU7 - ACE PHE n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ACE PHE; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: ACE PHE; Similar ligands found: 118
No: Ligand Similarity coefficient
1 ACE PHE 1.0000
2 GLY PHE 0.9596
3 ING 0.9508
4 CXA 0.9461
5 BPS 0.9410
6 2B4 0.9378
7 BZS 0.9376
8 LHY 0.9304
9 INF 0.9303
10 61O 0.9302
11 ALA PHE 0.9288
12 K3Y 0.9262
13 SQP 0.9260
14 JGM 0.9214
15 3B4 0.9207
16 GLY TYR 0.9205
17 23N 0.9200
18 MOK 0.9171
19 3NF 0.9170
20 7UZ 0.9170
21 AVO 0.9164
22 OBP 0.9163
23 1Z8 0.9148
24 3CR 0.9130
25 AVI 0.9101
26 T2D 0.9081
27 NLG 0.9063
28 TH4 0.9047
29 0A9 0.9042
30 9PL 0.9038
31 B2Y 0.9038
32 RIS 0.9037
33 AVJ 0.9033
34 0OO 0.9011
35 W8G 0.9007
36 49O 0.8982
37 49N 0.8976
38 9W5 0.8951
39 F63 0.8951
40 KWB 0.8933
41 EXG 0.8915
42 AKD 0.8910
43 A9O 0.8910
44 CPM 0.8909
45 MPK 0.8908
46 JI2 0.8906
47 692 0.8900
48 DY8 0.8898
49 2V0 0.8894
50 F69 0.8890
51 6J9 0.8882
52 PHE 0.8881
53 ZOL 0.8871
54 W29 0.8860
55 C6J 0.8855
56 PIR 0.8853
57 89J 0.8847
58 SQY 0.8846
59 NFA 0.8846
60 DPN 0.8839
61 90J 0.8837
62 MXD 0.8835
63 SV4 0.8833
64 KLS 0.8831
65 OSB 0.8831
66 RME 0.8822
67 6XI 0.8813
68 CP7 0.8811
69 SER THR 0.8806
70 MN9 0.8785
71 A7K 0.8781
72 5E4 0.8772
73 NI9 0.8770
74 25O 0.8770
75 F16 0.8762
76 BCK 0.8759
77 DNB 0.8749
78 XQI 0.8745
79 APL 0.8743
80 DJL 0.8741
81 2E5 0.8728
82 AOT 0.8720
83 SLY 0.8718
84 1FF 0.8717
85 MMN 0.8714
86 WOE 0.8709
87 B4O 0.8709
88 3Y7 0.8700
89 1BY 0.8690
90 3YQ 0.8685
91 A8Q 0.8683
92 1ZC 0.8682
93 BPY 0.8680
94 N8Z 0.8679
95 56N 0.8666
96 FUZ 0.8663
97 2E4 0.8660
98 VAL VAL 0.8654
99 GTC 0.8653
100 NQM 0.8648
101 V2Z 0.8640
102 7NU 0.8640
103 60Q 0.8635
104 EBP 0.8632
105 AAG 0.8622
106 MUK 0.8622
107 PPY 0.8613
108 JRB 0.8604
109 3QM 0.8602
110 C4L 0.8601
111 ASP SER 0.8599
112 4A5 0.8597
113 CH9 0.8586
114 CP6 0.8574
115 C53 0.8552
116 F6P 0.8543
117 6W6 0.8528
118 E35 0.8520
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HU5; Ligand: GLY PHE; 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: 2hu5.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2HU5; Ligand: GLY PHE; 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: 2hu5.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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