Receptor
PDB id Resolution Class Description Source Keywords
2JC4 1.9 Å EC: 3.1.11.2 3'-5' EXONUCLEASE (NEXO) FROM NEISSERIA MENINGITIDIS NEISSERIA MENINGITIDIS HYDROLASE NEISSERIA MENINGITIDIS REPAIR PHOSPHODIESTERASE DNA REPAIR EXONUCLEASE ENDONUCLEASE
Ref.: AP ENDONUCLEASE PARALOGUES WITH DISTINCT ACTIVITIES IN DNA REPAIR AND BACTERIAL PATHOGENESIS. EMBO J. V. 26 1363 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1PE A:1259;
 Invalid;
 none;
 submit data
238.278 C10 H22 O6 C(COC...
2HP A:1261;
 Valid;
 none;
 submit data
96.987 H2 O4 P OP(=O...
ACT A:1260;
 Invalid;
 none;
 submit data
59.044 C2 H3 O2 CC(=O...
MG A:1256;
 Part of Protein;
 none;
 submit data
24.305 Mg [Mg+2...
NA A:1257;
A:1258;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2JC4 1.9 Å EC: 3.1.11.2 3'-5' EXONUCLEASE (NEXO) FROM NEISSERIA MENINGITIDIS NEISSERIA MENINGITIDIS HYDROLASE NEISSERIA MENINGITIDIS REPAIR PHOSPHODIESTERASE DNA REPAIR EXONUCLEASE ENDONUCLEASE
Ref.: AP ENDONUCLEASE PARALOGUES WITH DISTINCT ACTIVITIES IN DNA REPAIR AND BACTERIAL PATHOGENESIS. EMBO J. V. 26 1363 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2JC4 - 2HP H2 O4 P OP(=O)(O)[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2JC4 - 2HP H2 O4 P OP(=O)(O)[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2JC4 - 2HP H2 O4 P OP(=O)(O)[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 2HP; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 2HP 1 1
2 PI 0.777778 0.888889
3 PO4 0.555556 0.736842
4 POP 0.538462 0.772727
5 FPO 0.454545 0.636364
6 GB 0.454545 0.8
7 TS6 0.454545 0.809524
Similar Ligands (3D)
Ligand no: 1; Ligand: 2HP; Similar ligands found: 76
No: Ligand Similarity coefficient
1 TBU 1.0000
2 TMO 1.0000
3 FUS 1.0000
4 2PA 1.0000
5 03S 1.0000
6 BF4 1.0000
7 ART 1.0000
8 WO6 1.0000
9 PEJ 1.0000
10 9XN 0.9880
11 TAN 0.9630
12 HSW 0.9567
13 CNH 0.9550
14 TB0 0.9550
15 8FH 0.9510
16 VSO 0.9469
17 ETF 0.9446
18 LAC 0.9392
19 2A3 0.9376
20 MMQ 0.9372
21 J3K 0.9328
22 PYR 0.9280
23 2PO 0.9269
24 BEF 0.9266
25 F50 0.9257
26 FAH 0.9255
27 IPA 0.9224
28 78T 0.9210
29 PPI 0.9185
30 GOA 0.9182
31 GOL 0.9127
32 GXV 0.9127
33 2OP 0.9105
34 ACM 0.9061
35 HBS 0.9034
36 HBR 0.9031
37 NIE 0.9021
38 GLY 0.9019
39 HVB 0.9014
40 ALQ 0.9003
41 ACT 0.9002
42 OXM 0.9000
43 3ZS 0.8980
44 6SP 0.8977
45 AF3 0.8966
46 ALA 0.8965
47 NAK 0.8953
48 DAL 0.8953
49 SEY 0.8949
50 R3W 0.8933
51 F3V 0.8925
52 MCH 0.8884
53 OXL 0.8881
54 TSZ 0.8876
55 GLV 0.8826
56 AKR 0.8809
57 HAE 0.8801
58 PZO 0.8780
59 TRI 0.8771
60 IMD 0.8764
61 DZZ 0.8762
62 HUH 0.8750
63 KCS 0.8743
64 2A1 0.8727
65 TAY 0.8724
66 NHY 0.8719
67 BUO 0.8689
68 MGX 0.8665
69 PPF 0.8641
70 39J 0.8625
71 VN4 0.8622
72 AGU 0.8585
73 HLT 0.8580
74 AOA 0.8562
75 CYS 0.8553
76 HIU 0.8521
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2JC4; Ligand: 2HP; 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: 2jc4.bio1) has 3 residues
No: Leader PDB Ligand Sequence Similarity
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