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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 16 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 13 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 8 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 with APoc: 84
This union binding pocket(no: 1) in the query (biounit: 2hw2.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 4RJD TFP None
2 1UO5 PIH None
3 5V4R MGT None
4 5NNT DPV None
5 5TVI O8N None
6 1UO4 PIH None
7 5CHR 4NC None
8 1N8V BDD None
9 2VWA PTY None
10 1ZEI CRS None
11 1MT1 AG2 1.76991
12 1N13 AG2 1.76991
13 2QQC AG2 1.78571
14 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.0979
15 4NAT ADP 2.0979
16 4V3I ASP LEU THR ARG PRO 2.72374
17 5IJJ I6P 2.7972
18 6G5J EM8 2.7972
19 4MJ0 SIA SIA GAL 2.7972
20 4DR9 BB2 2.7972
21 4TV1 36M 3.4965
22 5M8T 0TR 3.4965
23 4ZGM 32M 4.09836
24 2GWH PCI 4.1958
25 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 4.1958
26 5J32 IPM 4.1958
27 2HHP FLC 4.1958
28 1ZED PNP 4.1958
29 3WKX FUB 4.1958
30 4UCC ZKW 4.1958
31 6BR8 6OU 4.1958
32 3GXO MQA 4.1958
33 1T0S BML 4.8951
34 6BWL UDP 4.8951
35 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 5.59441
36 4WGF HX2 5.59441
37 2HZL PYR 5.59441
38 3AQT RCO 5.59441
39 5C1M OLC 6.29371
40 5OSW DIU 6.29371
41 6BJO DUY 6.4
42 3O01 DXC 6.99301
43 6D6L FY4 6.99301
44 4H6B 10Y 6.99301
45 1AUA BOG 6.99301
46 1NU4 MLA 7.2165
47 5W7B MYR 7.69231
48 6CI7 ACP 7.69231
49 3N7S 3N7 8.33333
50 5UGW GSH 8.39161
51 4RW3 SHV 8.39161
52 3ROE THM 8.39161
53 1A05 IPM 9.09091
54 4L9Z OXL 9.09091
55 4GN8 ASO 9.79021
56 3KP6 SAL 10.4895
57 2A1L PCW 10.4895
58 1R6N 434 11.1888
59 3E70 GDP 11.8881
60 3TL1 JRO 11.8881
61 3NB0 G6P 11.8881
62 2WOR 2AN 13
63 5LX9 OLB 13.2867
64 5LWY OLB 13.2867
65 2RH1 CAU 13.2867
66 5OLK DTP 13.986
67 5C9J DAO 14.6853
68 1I0B PEL 14.6853
69 3H0A D30 15.3846
70 3B1M KRC 15.3846
71 3G9E RO7 15.3846
72 2HFP NSI 15.3846
73 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY 15.6863
74 2Y69 CHD 17.0543
75 2YVE MBT 17.4825
76 5M36 9SZ 19.5804
77 5M37 9SZ 19.5804
78 4OGQ 7PH 20.5882
79 4OGQ 1O2 20.5882
80 5Z84 CHD 35.5932
81 5ZCO CHD 35.5932
82 5W97 CHD 35.5932
83 2DYS TGL 35.5932
84 2DYR TGL 35.5932
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