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3NZ9

Structural Analysis of Pneumocystis carinii and Human DHFR Complexes with NADPH and a Series of Five Potent 5-(omega-Carboxy(alkyloxy)Pyrido[2,3-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 Residues30
DetailsBINDING SITE FOR RESIDUE NDP X 208
ChainResidue
XVAL11
XGLY58
XARG59
XLYS60
XTHR61
XSER64
XILE80
XTHR81
XARG82
XLYS96
XILE123
XALA12
XGLY125
XALA126
XGLN127
XLEU128
XTYR129
XALA131
XD2K207
XHOH226
XHOH256
XHOH258
XILE19
XHOH281
XGLY20
XARG21
XASN23
XSER24
XLEU25
XTRP27

site_idAC2
Number of Residues15
DetailsBINDING SITE FOR RESIDUE D2K X 207
ChainResidue
XILE10
XVAL11
XALA12
XLEU25
XGLU32
XILE33
XPHE36
XTHR61
XSER64
XPHE69
XILE123
XTYR129
XTHR144
XNDP208
XHOH274

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 2024-11-06

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