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5IST

Staphylococcus aureus Dihydrofolate Reductase complexed with beta-NADPH, cyclic alpha-NADPH anomer and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106)

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 Residues17
Detailsbinding site for residue U06 X 201
ChainResidue
XLEU5
XILE50
XLEU54
XPHE92
XTHR111
XXNP202
XNAP203
XHOH303
XHOH384
XVAL6
XALA7
XASN18
XLEU20
XASP27
XLEU28
XVAL31
XSER49

site_idAC2
Number of Residues28
Detailsbinding site for residue XNP X 202
ChainResidue
XILE14
XASN18
XGLN19
XLEU20
XGLY43
XARG44
XLYS45
XTHR46
XLEU62
XTHR63
XSER64
XSER67
XGLY94
XGLN95
XTHR96
XLEU97
XGLU100
XTHR121
XU06201
XNAP203
XHOH306
XHOH307
XHOH314
XHOH318
XHOH319
XHOH353
XHOH387
XHOH400

site_idAC3
Number of Residues34
Detailsbinding site for residue NAP X 203
ChainResidue
XVAL6
XALA7
XILE14
XGLY15
XGLN19
XGLY43
XARG44
XLYS45
XTHR46
XLEU62
XTHR63
XSER64
XHIS77
XILE79
XPHE92
XGLY93
XGLY94
XGLN95
XTHR96
XLEU97
XGLU100
XTHR121
XU06201
XXNP202
XHOH306
XHOH314
XHOH318
XHOH319
XHOH341
XHOH353
XHOH376
XHOH387
XHOH394
XHOH406

Functional Information from PROSITE/UniProt
site_idPS00075
Number of Residues23
DetailsDHFR_1 Dihydrofolate reductase (DHFR) domain signature. VIGfenqLPWhlpn.DlknVkklS
ChainResidueDetails
XVAL13-SER35

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues5
DetailsBINDING: BINDING => ECO:0000305|PubMed:19280600
ChainResidueDetails
XLEU5
XASP27
XSER49
XARG57
XPHE92

site_idSWS_FT_FI2
Number of Residues6
DetailsBINDING: BINDING => ECO:0000269|PubMed:19280600
ChainResidueDetails
XVAL6
XILE14
XGLY43
XLEU62
XGLU100
XTHR121

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PDB entries from 2024-07-10

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