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4LAG

Structure-Based Design of New Dihydrofolate Reductase Antibacterial Agents: 7-(Benzimidazol-1-yl)-2,4-diaminoquinazolines

Functional Information from GO Data
ChainGOidnamespacecontents
X0004146molecular_functiondihydrofolate reductase activity
X0005829cellular_componentcytosol
X0006730biological_processone-carbon metabolic process
X0016491molecular_functionoxidoreductase activity
X0046452biological_processdihydrofolate metabolic process
X0046654biological_processtetrahydrofolate biosynthetic process
X0046655biological_processfolic acid metabolic process
X0050661molecular_functionNADP binding
Functional Information from PDB Data
site_idAC1
Number of Residues30
DetailsBINDING SITE FOR RESIDUE NAP X 201
ChainResidue
XVAL7
XLYS46
XTHR47
XLEU63
XTHR64
XSER65
XHIS78
XILE80
XPHE93
XGLY95
XGLN96
XALA8
XTHR97
XLEU98
XGLU101
XTHR122
X1VN202
XHOH305
XHOH350
XHOH379
XHOH382
XHOH383
XILE15
XHOH396
XGLY16
XASN19
XGLN20
XLEU21
XGLY44
XARG45

site_idAC2
Number of Residues14
DetailsBINDING SITE FOR RESIDUE 1VN X 202
ChainResidue
XLEU6
XVAL7
XALA8
XGLN20
XLEU21
XASP28
XLEU29
XVAL32
XTHR47
XILE51
XPHE93
XNAP201
XHOH320
XHOH381

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 2024-11-06

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