3FY8

Crystal Structure of Staph. aureus DHFR complexed with NADPH and AR-101

Functional Information from GO Data

Chain	GOid	namespace	contents
X	0004146	molecular_function	dihydrofolate reductase activity
X	0005829	cellular_component	cytosol
X	0006730	biological_process	one-carbon metabolic process
X	0016491	molecular_function	oxidoreductase activity
X	0046452	biological_process	dihydrofolate metabolic process
X	0046654	biological_process	tetrahydrofolate biosynthetic process
X	0046655	biological_process	folic acid metabolic process
X	0050661	molecular_function	NADP binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	30
Details	BINDING SITE FOR RESIDUE NDP X 301

Chain	Residue
X	VAL6
X	LYS45
X	THR46
X	LEU62
X	THR63
X	SER64
X	HIS77
X	ILE79
X	PHE92
X	GLY93
X	GLY94
X	ALA7
X	GLN95
X	THR96
X	LEU97
X	TYR98
X	GLU100
X	THR121
X	HOH163
X	HOH191
X	HOH202
X	XCF300
X	ILE14
X	HOH302
X	GLY15
X	ASN18
X	GLN19
X	LEU20
X	GLY43
X	ARG44

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site_id	AC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE XCF X 300

Chain	Residue
X	LEU5
X	VAL6
X	ALA7
X	ASP27
X	LEU28
X	VAL31
X	LEU54
X	PHE92
X	HOH181
X	HOH182
X	NDP301

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Functional Information from PROSITE/UniProt

site_id	PS00075
Number of Residues	23
Details	DHFR_1 Dihydrofolate reductase (DHFR) domain signature. VIGfenqLPWhlpn.DlkhVkklS

Chain	Residue	Details
X	VAL13-SER35

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	5
Details	BINDING: BINDING => ECO:0000305|PubMed:19280600

Chain	Residue	Details
X	LEU5
X	ASP27
X	SER49
X	ARG57
X	PHE92

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site_id	SWS_FT_FI2
Number of Residues	6
Details	BINDING: BINDING => ECO:0000269|PubMed:19280600

Chain	Residue	Details
X	VAL6
X	ILE14
X	GLY43
X	LEU62
X	GLU100
X	THR121

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1dhf

Chain	Residue	Details
X	LEU20
X	ASP27

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