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3R33

Evidence for dynamic motion in proteins as a mechanism for ligand dissociation

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 Residues8
DetailsBINDING SITE FOR RESIDUE 6ME A 161
ChainResidue
AILE5
AALA6
AASP27
APHE31
AILE94
ATYR100
ATHR113
AHOH214

site_idAC2
Number of Residues34
DetailsBINDING SITE FOR RESIDUE NDP A 1160
ChainResidue
AALA7
AILE14
AGLY15
AASN18
AALA19
AMET20
ATRP22
AGLY43
AARG44
AHIS45
ATHR46
ALEU62
ASER63
ASER64
ALYS76
AILE94
AGLY96
AGLY97
AARG98
AVAL99
ATYR100
AGLN102
ATHR123
AASP131
ACA163
ACA165
AHOH212
AHOH228
AHOH241
AHOH252
AHOH257
AHOH286
AHOH311
AALA6

site_idAC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CA A 160
ChainResidue
AVAL10
AASP116
AHOH307
AHOH356

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE CL A 162
ChainResidue
AASP116
AHIS149
ASER150
ACA168
ACL177
AHOH181
AHOH204
AHOH247

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CA A 163
ChainResidue
AARG44
AGLN65
ANDP1160

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CA A 164
ChainResidue
AARG52
APRO53
AGLU80
AHOH305

site_idAC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CA A 165
ChainResidue
AMET20
ASER49
ANDP1160

site_idAC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CA A 166
ChainResidue
AGLU134
AGLU157
AHOH247

site_idAC9
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CA A 167
ChainResidue
APRO105
ALYS106
AHOH278
AHOH326

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CA A 168
ChainResidue
AASP116
AHIS149
AARG159
ACL162
ACL177
AHOH247
AHOH258

site_idBC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CA A 169
ChainResidue
AILE82
AGLY86
AHOH226

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CA A 170
ChainResidue
AGLU101
AARG159
ACL177
AHOH225
AHOH258

site_idBC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CA A 171
ChainResidue
AALA19
AMET20

site_idBC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CA A 172
ChainResidue
AGLY121
AHIS124
APHE140
ACYS152
AHOH249

site_idBC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CA A 173
ChainResidue
AASP11
AHOH253

site_idBC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CA A 174
ChainResidue
AVAL78
AASP79
AASP131
AHOH327

site_idBC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CA A 175
ChainResidue
AARG12
AASP127
ATYR128

site_idBC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 176
ChainResidue
ALYS32
APRO55
AARG57

site_idCC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE CL A 177
ChainResidue
AGLU101
AASP116
AARG159
ACL162
ACA168
ACA170
AHOH258
AHOH307

site_idCC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CA A 178
ChainResidue
AASP116
AASP122
AHOH259
AHOH301
AHOH318

site_idCC3
Number of Residues1
DetailsBINDING SITE FOR RESIDUE CA A 179
ChainResidue
AHOH285

site_idCC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CA A 180
ChainResidue
AARG52
AHOH296
AHOH346

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

223532

PDB entries from 2024-08-07

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