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7MQP

E. coli dihydrofolate reductase complexed with 4'-chloro-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-[1,1'-biphenyl]-4-carboxamide (UCP1228)

Functional Information from GO Data
ChainGOidnamespacecontents
A0004146molecular_functiondihydrofolate reductase activity
A0005515molecular_functionprotein binding
A0005542molecular_functionfolic acid binding
A0005829cellular_componentcytosol
A0006730biological_processone-carbon metabolic process
A0009257biological_process10-formyltetrahydrofolate biosynthetic process
A0009410biological_processresponse to xenobiotic stimulus
A0016491molecular_functionoxidoreductase activity
A0031427biological_processresponse to methotrexate
A0046452biological_processdihydrofolate metabolic process
A0046654biological_processtetrahydrofolate biosynthetic process
A0046655biological_processfolic acid metabolic process
A0046656biological_processfolic acid biosynthetic process
A0046677biological_processresponse to antibiotic
A0050661molecular_functionNADP binding
A0051870molecular_functionmethotrexate binding
A0051871molecular_functiondihydrofolic acid binding
A0070401molecular_functionNADP+ binding
A0070402molecular_functionNADPH binding
Functional Information from PDB Data
site_idAC1
Number of Residues18
Detailsbinding site for residue ZM4 A 201
ChainResidue
AILE5
ATHR46
ASER49
AILE50
AILE94
ATYR100
ATHR113
AHOH304
AHOH331
AHOH334
AALA6
AALA7
AMET16
AGLU17
AASP27
ALEU28
APHE31
ALYS32

site_idAC2
Number of Residues9
Detailsbinding site for residue SO4 A 202
ChainResidue
AGLY43
AARG44
AHIS45
ATHR46
AGLY96
AARG98
AVAL99
AHOH327
AHOH330

site_idAC3
Number of Residues6
Detailsbinding site for residue SO4 A 203
ChainResidue
AARG44
ASER63
ASER64
AGLN65
AARG98
AHOH326

site_idAC4
Number of Residues6
Detailsbinding site for residue SO4 A 204
ChainResidue
ALEU104
ATYR128
AGLU129
AASP132
ATRP133
AARG158

site_idAC5
Number of Residues4
Detailsbinding site for residue SO4 A 205
ChainResidue
AARG12
AASP116
AALA143
ASER150

site_idAC6
Number of Residues2
Detailsbinding site for residue SO4 A 206
ChainResidue
AARG44
AHIS45

site_idAC7
Number of Residues2
Detailsbinding site for residue SO4 A 207
ChainResidue
AASP79
ALYS106

site_idAC8
Number of Residues2
Detailsbinding site for residue SO4 A 208
ChainResidue
ALYS58
ALYS76

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

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues5
DetailsBINDING: BINDING => ECO:0000305|PubMed:9012674
ChainResidueDetails
AILE5
AASP27
AARG52
AARG57
ATHR113

site_idSWS_FT_FI2
Number of Residues6
DetailsBINDING: BINDING => ECO:0000269|PubMed:19374017
ChainResidueDetails
AALA7
AVAL13
AHIS45
ASER63
ALYS76
AGLY95

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PDB entries from 2024-07-10

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