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3SRQ

S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines

Functional Information from GO Data
ChainGOidnamespacecontents
X0004146molecular_functiondihydrofolate reductase activity
X0006730biological_processone-carbon metabolic process
X0016491molecular_functionoxidoreductase activity
X0046654biological_processtetrahydrofolate biosynthetic process
X0050661molecular_functionNADP binding
Functional Information from PDB Data
site_idAC1
Number of Residues33
DetailsBINDING SITE FOR RESIDUE NAP X 168
ChainResidue
XVAL7
XLYS46
XTHR47
XLEU63
XTHR64
XSER65
XILE80
XPHE93
XGLY94
XGLY95
XGLN96
XALA8
XTHR97
XLEU98
XGLU101
XTHR122
XQ19169
XHOH183
XHOH199
XHOH201
XHOH216
XHOH220
XILE15
XHOH234
XHOH263
XHOH270
XHOH276
XGLY16
XASN19
XGLN20
XLEU21
XGLY44
XARG45

site_idAC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE Q19 X 169
ChainResidue
XLEU6
XVAL7
XALA8
XLEU21
XASP28
XVAL32
XLEU55
XPHE93
XNAP168

Functional Information from PROSITE/UniProt
site_idPS00075
Number of Residues23
DetailsDHFR_1 Dihydrofolate reductase (DHFR) domain signature. VIGfenqLPWhlpn.DlkhVkklS
ChainResidueDetails
XVAL14-SER36

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues5
DetailsBINDING: BINDING => ECO:0000305|PubMed:19280600
ChainResidueDetails
XLEU6
XASP28
XSER50
XARG58
XPHE93

site_idSWS_FT_FI2
Number of Residues6
DetailsBINDING: BINDING => ECO:0000269|PubMed:19280600
ChainResidueDetails
XVAL7
XILE15
XGLY44
XLEU63
XGLU101
XTHR122

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PDB entries from 2024-07-17

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