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3QYO

Sensitivity of receptor internal motions to ligand binding affinity and kinetic off-rate

Functional Information from GO Data
ChainGOidnamespacecontents
A0004146molecular_functiondihydrofolate reductase activity
A0005515molecular_functionprotein binding
A0005542molecular_functionfolic acid binding
A0005829cellular_componentcytosol
A0006730biological_processone-carbon metabolic 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
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 Residues11
DetailsBINDING SITE FOR RESIDUE Q24 A 161
ChainResidue
AILE5
AHOH190
ANDP1160
AALA6
AMET20
AASP27
ALEU28
APHE31
AILE94
ATYR100
ATHR113

site_idAC2
Number of Residues36
DetailsBINDING SITE FOR RESIDUE NDP A 1160
ChainResidue
AALA6
AALA7
AILE14
AGLY15
AASN18
AALA19
AMET20
ATRP22
AGLY43
AARG44
AHIS45
ATHR46
ALEU62
ASER63
ASER64
ALYS76
AILE94
AGLY96
AGLY97
AARG98
AVAL99
ATYR100
AGLN102
ATHR123
AASP131
AQ24161
ACA163
AHOH185
AHOH198
AHOH223
AHOH272
AHOH276
AHOH299
AHOH319
AHOH341
AHOH348

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE CA A 160
ChainResidue
AASP122
AHOH243
AHOH272
AHOH308
AHOH350

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA A 162
ChainResidue
AASP116
AHIS149
AARG159
AHOH196
AHOH200
AHOH244

site_idAC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CA A 163
ChainResidue
AASP11
AHOH299
ANDP1160

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CA A 164
ChainResidue
APRO130
ATRP133
AHOH298
AHOH355

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CA A 165
ChainResidue
AHOH228
AHOH249
AHOH250
AHOH286

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CA A 166
ChainResidue
AMET1
AILE2
ALYS106
AGLN108

site_idAC9
Number of Residues1
DetailsBINDING SITE FOR RESIDUE CA A 167
ChainResidue
ASER49

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CA A 168
ChainResidue
AASN23
AGLN146
ASER148
AHOH344

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 2024-06-12

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