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4P68

Electrostatics of Active Site Microenvironments for E. coli DHFR

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0004146molecular_functiondihydrofolate reductase activity
A0005829cellular_componentcytosol
A0006730biological_processone-carbon metabolic process
A0016491molecular_functionoxidoreductase activity
A0046452biological_processdihydrofolate metabolic process
A0046654biological_processtetrahydrofolate biosynthetic process
A0046655biological_processfolic acid metabolic process
A0046872molecular_functionmetal ion binding
A0050661molecular_functionNADP binding
Functional Information from PDB Data
site_idAC1
Number of Residues13
Detailsbinding site for residue MTX A 201
ChainResidue
AILE5
AILE94
ATYR100
ANAP202
AHOH328
AALA6
AALA7
AMET20
AASP27
APHE31
AILE50
AXCN54
AARG57

site_idAC2
Number of Residues28
Detailsbinding site for residue NAP A 202
ChainResidue
AALA6
AALA7
AILE14
AASN18
AALA19
AMET20
AGLY43
AARG44
AHIS45
ATHR46
ALEU62
ASER63
ASER64
AGLN65
ALYS76
AILE94
AGLY96
AGLY97
AARG98
AVAL99
ATYR100
AGLN102
AASP131
AGLU139
AMTX201
AHOH303
AHOH315
AHOH333

site_idAC3
Number of Residues2
Detailsbinding site for residue ACT A 203
ChainResidue
AASP70
AASP87

site_idAC4
Number of Residues1
Detailsbinding site for residue ACT A 204
ChainResidue
AASP70

site_idAC5
Number of Residues5
Detailsbinding site for residue CA A 205
ChainResidue
AASP116
AHIS149
AARG159
AHOH306
AHOH324

Functional Information from PROSITE/UniProt
site_idPS00075
Number of Residues23
DetailsDHFR_1 Dihydrofolate reductase (DHFR) domain signature. VIGmenaMPWnlpa.DlawFkrnT
ChainResidueDetails
AVAL13-THR35

222036

PDB entries from 2024-07-03

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