WILD TYPE DIHYDROFOLATE REDUCTASE FROM STAPHYLOCOCCUS AUREUS INHIBITOR RAB1
PDB id Source Resolution
3M08 2.01 angstroms
Ligand Information
Ligand Validity Binding
Data		 Ligand
Warnings		 Eolus Viewer
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Viewer		 Molecular
Weight
(Da)		 Formula SMILES
RAR Valid Ki =  2.8 nM More atoms than expected were found for ligand in PDB. % Diff = 1.38889  launch gocavviewer-lite   486.566
C27 H30 N6 O3
 CCC[C@H]1c2ccccc2C=NN1C(=O)C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N
NAP Valid submit data   launch gocavviewer-lite   743.405
C21 H28 N7 O17 P3
 c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)O)O)O)O)C(=O)N
GOL Invalid            

INHIBITION OF ANTIBIOTIC-RESISTANT STAPHYLOCOCCUS A THE BROAD-SPECTRUM DIHYDROFOLATE REDUCTASE INHIBITO ANTIMICROB.AGENTS CHEMOTHER. V. 54 3825 2010

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90% Homology Family

The Class containing this family consists of a total of 22 families.
Leader:    3SRU
S. AUREUS DIHYDROFOLATE REDUCTASE COMPLEXED WITH
NOVEL 7-ARY DIAMINOQUINAZOLINES
PDB id Binding data Representative ligand
3SRU Ki = 0.02 nM Q26
2W9G Kd = 0.97 nM TOP
2W9H Kd = 430.0 nM TOP
3F0B ic50 = 0.061 uM 53R
3F0Q Ki = 10.0 nM 52V
3F0U ic50 = 0.19 uM 53R
3FQ0 ic50 = 0.068 uM N22
3FQC ic50 = 0.064 uM 55V
3FQF ic50 = 0.75 uM 55V
3FQO ic50 = 0.67 uM N22
3FQV ic50 = 0.77 uM 11F
3FQZ ic50 = 0.17 uM 11F
3FRA Ka = 7.6E7 M^-1 I2H
3FRB Ka = 5800000.0 M^-1 TOP
3FRD   DHF
3FRE Ki = 6.0E-4 uM TOP
3FRF Ki = 0.0030 uM XCF
3FY8 Ki = 0.9 nM I2H
3FY9 Ki = 3.5 nM XCF
3FYV Ki = 0.22 nM XCF
3FYW Ki = 0.23 nM I2H
3I8A Ki = 0.12 uM N22
3M08 Ki = 2.8 nM RAR
3M09 Ki = 0.9 nM RAR
3SQY Ki = 2.7 nM Q11
3SR5 Ki = 0.35 nM Q12
3SRQ Ki = 0.48 nM Q19
3SRR Ki = 0.24 nM Q20
3SRS Ki = 0.76 nM M23
3SRW Ki = 0.026 nM Q27