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
Ligand no: 1; Ligand: ADS THS THS THS; Similar ligands found: 37
No: Ligand ECFP6 Tc MDL keys Tc
1 ADS THS THS THS 1 1
2 DA DT DA DA 0.703125 0.928571
3 DU DU DU DU BRU DA DU 0.564626 0.863636
4 T5A 0.55303 0.863636
5 4TA 0.552239 0.895349
6 DT DA DC DG 0.52795 0.855556
7 PAX 0.517483 0.873563
8 DC DG DT DA 0.515337 0.855556
9 101 0.495495 0.767442
10 DT DT DT 0.491803 0.821429
11 DT MA7 DT 0.48 0.863636
12 TMP 0.477477 0.767442
13 DT DT DT DT DT 0.472441 0.802326
14 DG DA DC DG 0.471698 0.833333
15 DT DT PST 0.465116 0.869048
16 DC DG DA DC 0.458599 0.811111
17 THP 0.45614 0.755814
18 Z5A 0.446667 0.844444
19 TYD 0.444444 0.758621
20 CPA 0.442857 0.850575
21 TTP 0.429752 0.758621
22 T3P 0.428571 0.755814
23 DA 0.42735 0.767442
24 D5M 0.42735 0.767442
25 TTP MG 0.42623 0.797619
26 AS 0.423729 0.813953
27 DA DC DG DA 0.422619 0.802198
28 DT ME6 DT 0.422535 0.804598
29 9RC 0.418605 0.752688
30 DAT 0.414634 0.770115
31 DAU 0.406015 0.772727
32 LLT 0.40367 0.738095
33 THM 0.40367 0.738095
34 3YN 0.402985 0.772727
35 TBD 0.401639 0.752809
36 DTP 0.401575 0.770115
37 TLO 0.4 0.781609
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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