Receptor
PDB id Resolution Class Description Source Keywords
5Z54 2.16 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF A CYCLASE HPIU5 FROM FISCHERELLA SP. AT IN COMPLEX WITH CYCLO-L-ARG-D-PRO FISCHERELLA AMBIGUA UTEX 1903 PRENYLTRANSFERASE TRANSFERASE
Ref.: THE CRYSTAL STRUCTURE OF A CLASS OF CYCLASES THAT C THE COPE REARRANGEMENT ANGEW. CHEM. INT. ED. ENGL. V. 57 15060 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
0HZ B:303;
A:303;
C:303;
D:303;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
254.309 C11 H20 N5 O2 NULL
CA B:301;
A:302;
B:302;
C:302;
A:301;
D:301;
D:302;
C:301;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5Z54 2.16 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF A CYCLASE HPIU5 FROM FISCHERELLA SP. AT IN COMPLEX WITH CYCLO-L-ARG-D-PRO FISCHERELLA AMBIGUA UTEX 1903 PRENYLTRANSFERASE TRANSFERASE
Ref.: THE CRYSTAL STRUCTURE OF A CLASS OF CYCLASES THAT C THE COPE REARRANGEMENT ANGEW. CHEM. INT. ED. ENGL. V. 57 15060 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 5Z54 - 0HZ C11 H20 N5 O2 NULL
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 277 families.
1 6A99 - 9UL C13 H14 N2 CN1CCC/C1=....
2 6A9F - 9BF C12 H13 N O CC(=O)CCc1....
3 6A98 - BOG C14 H28 O6 CCCCCCCCO[....
4 5Z54 - 0HZ C11 H20 N5 O2 NULL
5 5YVK - 0HZ C11 H20 N5 O2 NULL
6 5ZFJ - 9BF C12 H13 N O CC(=O)CCc1....
7 5Z53 - 0HZ C11 H20 N5 O2 NULL
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 212 families.
1 6A99 - 9UL C13 H14 N2 CN1CCC/C1=....
2 6A9F - 9BF C12 H13 N O CC(=O)CCc1....
3 6A98 - BOG C14 H28 O6 CCCCCCCCO[....
4 5Z54 - 0HZ C11 H20 N5 O2 NULL
5 5YVK - 0HZ C11 H20 N5 O2 NULL
6 5ZFJ - 9BF C12 H13 N O CC(=O)CCc1....
7 5Z53 - 0HZ C11 H20 N5 O2 NULL
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 0HZ; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: 0HZ; Similar ligands found: 37
No: Ligand Similarity coefficient
1 0HZ 1.0000
2 JCL 0.8961
3 4K2 0.8886
4 ALJ 0.8821
5 8UY 0.8781
6 KWK 0.8778
7 YX0 0.8745
8 J5B 0.8741
9 9PP 0.8736
10 A8S 0.8729
11 5M2 0.8728
12 3WJ 0.8709
13 SNP 0.8706
14 CMG 0.8701
15 5HG 0.8688
16 FHI 0.8683
17 QRP 0.8677
18 FSU 0.8665
19 RKY 0.8664
20 G50 0.8657
21 H5E 0.8657
22 IGP 0.8634
23 5LI 0.8623
24 ZIP 0.8620
25 DX6 0.8619
26 PNX 0.8616
27 FD7 0.8613
28 IPL 0.8611
29 NAR 0.8602
30 JXB 0.8599
31 JFS 0.8595
32 TYP 0.8583
33 CHQ 0.8576
34 UN9 0.8570
35 AGI 0.8560
36 57D 0.8554
37 WA2 0.8536
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5Z54; Ligand: 0HZ; 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: 5z54.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5Z54; Ligand: 0HZ; 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: 5z54.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5Z54; Ligand: 0HZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5z54.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5Z54; Ligand: 0HZ; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5z54.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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