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3NZB

Structural Analysis of Pneumocystis carinii and Human DHFR Complexes with NADPH and a Series of Potent 5-(omega-carboxyl(alkyloxy)pyrido[2,-d]pyrimidine Derivatives

Functional Information from GO Data
ChainGOidnamespacecontents
X0004146molecular_functiondihydrofolate reductase activity
X0005739cellular_componentmitochondrion
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 Residues12
DetailsBINDING SITE FOR RESIDUE D2N X 207
ChainResidue
XILE10
XTYR129
XNDP208
XHOH266
XVAL11
XALA12
XSER24
XLEU25
XGLU32
XPHE36
XPRO66
XILE123

site_idAC2
Number of Residues27
DetailsBINDING SITE FOR RESIDUE NDP X 208
ChainResidue
XVAL11
XALA12
XILE19
XGLY20
XSER24
XLEU25
XTRP27
XGLY58
XARG59
XLYS60
XTHR61
XSER64
XILE80
XTHR81
XARG82
XLYS96
XILE123
XGLY124
XGLY125
XALA126
XGLN127
XLEU128
XTYR129
XALA131
XD2N207
XD2N209
XHOH232

site_idAC3
Number of Residues14
DetailsBINDING SITE FOR RESIDUE D2N X 209
ChainResidue
XILE10
XVAL11
XALA12
XGLU32
XILE33
XPHE36
XLYS37
XPRO66
XPHE69
XLYS73
XILE123
XTYR129
XNDP208
XHOH219

Functional Information from PROSITE/UniProt
site_idPS00075
Number of Residues23
DetailsDHFR_1 Dihydrofolate reductase (DHFR) domain signature. GIGrsnsLPWklkk.EisyFkrvT
ChainResidueDetails
XGLY18-THR40

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues5
DetailsBINDING: BINDING => ECO:0000269|PubMed:10194348, ECO:0000269|PubMed:10736154, ECO:0000269|PubMed:12037296, ECO:0000269|PubMed:12198294, ECO:0000269|PubMed:17019704
ChainResidueDetails
XALA12
XGLY18
XARG59
XTHR81
XGLY124

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000305|PubMed:10194348
ChainResidueDetails
XGLU32
XARG75

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PDB entries from 2024-07-24

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