Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLY PHE A:1001;
B:2001;
Valid;
Valid;
none;
none;
submit data
n/a n/a
GOL A:3003;
A:3004;
A:3005;
B:3001;
B:3002;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
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: GLY PHE; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: GLY PHE; Similar ligands found: 54
No: Ligand Similarity coefficient
1 GLY PHE 1.0000
2 ACE PHE 0.9596
3 ALA PHE 0.9548
4 ING 0.9469
5 LHY 0.9446
6 3NF 0.9404
7 CXA 0.9309
8 JGM 0.9297
9 GLY TYR 0.9281
10 INF 0.9172
11 AVO 0.9149
12 23N 0.9124
13 8V0 0.9076
14 TH4 0.9037
15 BZS 0.9029
16 SQY 0.9026
17 CPM 0.9006
18 9F5 0.8982
19 90J 0.8972
20 JI2 0.8958
21 BPS 0.8947
22 61O 0.8918
23 VAL TYR 0.8912
24 7UZ 0.8912
25 VJJ 0.8864
26 1Z8 0.8831
27 MOK 0.8829
28 DY8 0.8795
29 MN9 0.8792
30 2E4 0.8783
31 2E5 0.8772
32 29J 0.8769
33 GG5 0.8766
34 SQP 0.8752
35 KWB 0.8744
36 KDN 0.8744
37 DJL 0.8740
38 ALA LYS 0.8737
39 6NZ 0.8735
40 2B4 0.8705
41 MMN 0.8698
42 F69 0.8686
43 JI1 0.8684
44 W8G 0.8669
45 29B 0.8657
46 MPK 0.8656
47 7NU 0.8640
48 MXD 0.8614
49 692 0.8581
50 6J9 0.8572
51 56N 0.8557
52 49K 0.8555
53 J6H 0.8542
54 SFK 0.8531
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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