Receptor
PDB id Resolution Class Description Source Keywords
1AK0 1.8 Å EC: 3.1.30.1 P1 NUCLEASE IN COMPLEX WITH A SUBSTRATE ANALOG PENICILLIUM CITRINUM ENDONUCLEASE P1 NUCLEASE REACTION MECHANISM THIOPHOSPHORYOLIGONUCLEOTIDES GLYCOSYLATED PROTEIN
Ref.: RECOGNITION OF SINGLE-STRANDED DNA BY NUCLEASE P1: RESOLUTION CRYSTAL STRUCTURES OF COMPLEXES WITH SUB ANALOGS. PROTEINS V. 32 414 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADS THS THS THS A:292;
 Valid;
 none;
 submit data
1257.21 n/a S=P([...
NAG A:285;
A:287;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG B:1;
 Part of Protein;
 none;
 submit data
408.404 n/a O=C(N...
ZN A:271;
A:272;
A:273;
A:274;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1AK0 1.8 Å EC: 3.1.30.1 P1 NUCLEASE IN COMPLEX WITH A SUBSTRATE ANALOG PENICILLIUM CITRINUM ENDONUCLEASE P1 NUCLEASE REACTION MECHANISM THIOPHOSPHORYOLIGONUCLEOTIDES GLYCOSYLATED PROTEIN
Ref.: RECOGNITION OF SINGLE-STRANDED DNA BY NUCLEASE P1: RESOLUTION CRYSTAL STRUCTURES OF COMPLEXES WITH SUB ANALOGS. PROTEINS V. 32 414 1998
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1AK0 - ADS THS THS THS n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1AK0 - ADS THS THS THS n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5FBB - AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 5FBC - AS C10 H14 N5 O5 P S c1nc(c2c(n....
3 5FBF - DCM C9 H14 N3 O7 P C1[C@@H]([....
4 5FBD - DCZ C9 H13 N3 O4 C1[C@@H]([....
5 5FBG - GNG C10 H13 N5 O4 c1nc2c(n1[....
6 1AK0 - ADS THS THS THS n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ADS THS THS THS; Similar ligands found: 30
No: Ligand ECFP6 Tc MDL keys Tc
1 ADS THS THS THS 1 1
2 DU DU DU DU BRU DA DU 0.564626 0.863636
3 T5A 0.55303 0.863636
4 4TA 0.552239 0.895349
5 PAX 0.517483 0.873563
6 101 0.495495 0.767442
7 DT MA7 DT 0.48 0.863636
8 TMP 0.477477 0.767442
9 O5W 0.475524 0.886364
10 3DR DT DT DT DT DT 0.458647 0.811765
11 THP 0.45614 0.755814
12 Z5A 0.446667 0.844444
13 TYD 0.444444 0.758621
14 CPA 0.442857 0.850575
15 TTP 0.429752 0.758621
16 T3P 0.428571 0.755814
17 DA 0.42735 0.767442
18 D5M 0.42735 0.767442
19 TTP MG 0.42623 0.797619
20 AS 0.423729 0.813953
21 DT ME6 DT 0.422535 0.804598
22 9RC 0.418605 0.752688
23 DAT 0.414634 0.770115
24 DAU 0.406015 0.772727
25 THM 0.40367 0.738095
26 LLT 0.40367 0.738095
27 3YN 0.402985 0.772727
28 TBD 0.401639 0.752809
29 DTP 0.401575 0.770115
30 TLO 0.4 0.781609
Similar Ligands (3D)
Ligand no: 1; Ligand: ADS THS THS THS; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1AK0; Ligand: ADS THS THS THS; 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: 1ak0.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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