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Receptor
PDB id Resolution Class Description Source Keywords
5KLP 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HOPZ1A IN COMPLEX WITH IP6 PSEUDOMONAS SYRINGAE PV. SYRINGAE SER/THR ACETYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURE OF A PATHOGEN EFFECTOR REVEALS THE ENZYMA MECHANISM OF A NOVEL ACETYLTRANSFERASE FAMILY. NAT.STRUCT.MOL.BIOL. V. 23 847 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT C:402;
A:403;
B:403;
B:402;
A:402;
C:403;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
192.124 C6 H8 O7 C(C(=...
IHP B:401;
A:401;
C:401;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 22.7 uM
660.035 C6 H18 O24 P6 C1(C(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5KLP 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HOPZ1A IN COMPLEX WITH IP6 PSEUDOMONAS SYRINGAE PV. SYRINGAE SER/THR ACETYLTRANSFERASE TRANSFERASE
Ref.: STRUCTURE OF A PATHOGEN EFFECTOR REVEALS THE ENZYMA MECHANISM OF A NOVEL ACETYLTRANSFERASE FAMILY. NAT.STRUCT.MOL.BIOL. V. 23 847 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5KLP Kd = 22.7 uM IHP C6 H18 O24 P6 C1(C(C(C(C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 5KLP Kd = 22.7 uM IHP C6 H18 O24 P6 C1(C(C(C(C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 5KLP Kd = 22.7 uM IHP C6 H18 O24 P6 C1(C(C(C(C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IHP; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 IHP 1 1
2 I6P 1 1
3 5IP 0.652174 1
4 5MY 0.652174 1
5 IP5 0.652174 1
6 I5P 0.652174 1
7 I0P 0.608696 0.965517
8 I8P 0.6 0.965517
9 2YN 0.6 0.965517
10 I7P 0.6 0.965517
11 I4P 0.571429 1
12 5A2 0.555556 0.8
13 4WZ 0.555556 0.8
14 5A3 0.555556 0.8
15 2IP 0.545455 0.933333
16 4IP 0.538462 0.965517
17 ITP 0.52 0.933333
18 IP2 0.5 0.933333
19 I3S 0.481481 0.933333
20 I3P 0.481481 0.933333
21 I4D 0.48 0.9
22 0EJ 0.46875 0.823529
23 4WY 0.454545 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5KLP; Ligand: IHP; Similar sites found with APoc: 39
This union binding pocket(no: 1) in the query (biounit: 5klp.bio2) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3KP6 SAL None
2 4WG0 CHD None
3 2CIX CEJ 1.33779
4 1GVE CIT 1.83486
5 4BFW ZVW 1.88679
6 1A05 IPM 2.04678
7 1T0S BML 2.04678
8 3WBZ ATP 2.21402
9 4UCC ZKW 2.57511
10 1YUC EPH 2.7451
11 3NMV PYV 2.80899
12 2OZ5 7XY 3.04054
13 3W5N RAM 3.21637
14 3NB0 G6P 3.21637
15 4QJR PIZ 3.26531
16 1ZDT PEF 3.3195
17 4F06 PHB 3.50877
18 2BW7 ECS 3.50877
19 5NM7 GLY 3.7594
20 4O4Z N2O 3.8961
21 2GWH PCI 4.02685
22 4URX FK1 4.32432
23 1ESM COA 4.74684
24 6BVK EAV 4.79042
25 6BVM EBV 4.79042
26 5C1M OLC 4.8
27 5U97 PIT 4.97076
28 1M13 HYF 5.06329
29 2BP1 FLC 5.84795
30 5OCA 9QZ 7.56302
31 1CEB AMH 7.95455
32 1MID LAP 8.79121
33 4RW3 PLM 10.596
34 4RW3 TDA 10.596
35 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 11.1111
36 6CB2 OLC 12.2867
37 1JGS SAL 13.7681
38 6DQU GLY ILE ILE ASN THR LEU 14.3275
39 2Y69 CHD 25
Pocket No.: 2; Query (leader) PDB : 5KLP; Ligand: IHP; Similar sites found with APoc: 5
This union binding pocket(no: 2) in the query (biounit: 5klp.bio3) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 1YMT DR9 1.62602
2 1YP0 PEF 1.67364
3 5EK3 5PK 2.72953
4 1ZDU P3A 2.85714
5 1DTL BEP 13.0435
Pocket No.: 3; Query (leader) PDB : 5KLP; Ligand: IHP; Similar sites found with APoc: 2
This union binding pocket(no: 3) in the query (biounit: 5klp.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 4Q0A 4OA 2.64901
2 4YZ5 SLT 5.55556
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