Receptor
PDB id Resolution Class Description Source Keywords
2HW2 1.45 Å EC: 2.4.2.30 CRYSTAL STRUCTURE OF RIFAMPIN ADP-RIBOSYL TRANSFERASE IN COM RIFAMPIN MYCOBACTERIUM SMEGMATIS PROTEIN-ANTIBIOTIC COMPLEX ADP-RIBOSYLATION TRANSFERASE R
Ref.: RIFAMYCIN ANTIBIOTIC RESISTANCE BY ADP-RIBOSYLATION STRUCTURE AND DIVERSITY OF ARR. PROC.NATL.ACAD.SCI.USA V. 105 4886 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RFP A:1200;
Valid;
none;
Ki = 1.42 mM
822.94 C43 H58 N4 O12 Cc1c(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HW2 1.45 Å EC: 2.4.2.30 CRYSTAL STRUCTURE OF RIFAMPIN ADP-RIBOSYL TRANSFERASE IN COM RIFAMPIN MYCOBACTERIUM SMEGMATIS PROTEIN-ANTIBIOTIC COMPLEX ADP-RIBOSYLATION TRANSFERASE R
Ref.: RIFAMYCIN ANTIBIOTIC RESISTANCE BY ADP-RIBOSYLATION STRUCTURE AND DIVERSITY OF ARR. PROC.NATL.ACAD.SCI.USA V. 105 4886 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 2HW2 Ki = 1.42 mM RFP C43 H58 N4 O12 Cc1c(c2c3c....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2HW2 Ki = 1.42 mM RFP C43 H58 N4 O12 Cc1c(c2c3c....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 2HW2 Ki = 1.42 mM RFP C43 H58 N4 O12 Cc1c(c2c3c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RFP; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 RFP 1 1
2 RPT 0.858156 0.961039
3 RBT 0.511628 0.793103
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HW2; Ligand: RFP; Similar sites found: 38
This union binding pocket(no: 1) in the query (biounit: 2hw2.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.03074 0.43654 None
2 5V4R MGT 0.02187 0.42459 None
3 5TVI O8N 0.0309 0.41295 None
4 1UO4 PIH 0.02284 0.41259 None
5 5CHR 4NC 0.0272 0.40609 None
6 2VWA PTY 0.02982 0.40359 None
7 1MT1 AG2 0.02487 0.40745 1.76991
8 2QQC AG2 0.01363 0.41917 1.78571
9 4NAT ADP 0.03949 0.40608 2.0979
10 4V3I ASP LEU THR ARG PRO 0.0129 0.42661 2.72374
11 5IJJ I6P 0.01751 0.41652 2.7972
12 4MJ0 SIA SIA GAL 0.03322 0.40342 2.7972
13 4DR9 BB2 0.01565 0.40001 2.7972
14 4TV1 36M 0.02651 0.40413 3.4965
15 5M8T 0TR 0.02894 0.40214 3.4965
16 4ZGM 32M 0.01595 0.42836 4.09836
17 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.007115 0.44152 4.1958
18 5J32 IPM 0.006867 0.43605 4.1958
19 2HHP FLC 0.04827 0.43198 4.1958
20 3WKX FUB 0.01581 0.41623 4.1958
21 4UCC ZKW 0.03473 0.40789 4.1958
22 3GXO MQA 0.02533 0.40104 4.1958
23 2FUE M1P 0.02623 0.40568 4.8951
24 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.01206 0.42754 5.59441
25 3AQT RCO 0.03185 0.40716 5.59441
26 5C1M OLC 0.00965 0.43353 6.29371
27 3O01 DXC 0.0001635 0.54374 6.99301
28 4H6B 10Y 0.0189 0.40749 6.99301
29 1AUA BOG 0.02311 0.40725 6.99301
30 3N7S 3N7 0.02038 0.42076 8.33333
31 5UGW GSH 0.004121 0.44073 8.39161
32 4RW3 SHV 0.04068 0.41037 8.39161
33 1A05 IPM 0.005449 0.442 9.09091
34 3TL1 JRO 0.009617 0.42701 11.8881
35 2WOR 2AN 0.005853 0.44716 13
36 2RH1 CAU 0.004334 0.41827 13.2867
37 1I0B PEL 0.003771 0.46568 14.6853
38 3B1M KRC 0.003006 0.4145 15.3846
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