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2C7V

Structure of Trypanosoma brucei pteridine reductase (PTR1) in ternary complex with cofactor and the antifolate methotrexate

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0016491molecular_functionoxidoreductase activity
A0047040molecular_functionpteridine reductase activity
B0000166molecular_functionnucleotide binding
B0016491molecular_functionoxidoreductase activity
B0047040molecular_functionpteridine reductase activity
C0000166molecular_functionnucleotide binding
C0016491molecular_functionoxidoreductase activity
C0047040molecular_functionpteridine reductase activity
D0000166molecular_functionnucleotide binding
D0016491molecular_functionoxidoreductase activity
D0047040molecular_functionpteridine reductase activity
Functional Information from PDB Data
site_idAC1
Number of Residues2
DetailsBINDING SITE FOR RESIDUE NI A1273
ChainResidue
AHIS179
CHIS179

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT A1274
ChainResidue
AGLU215
ALYS218
AARG222

site_idAC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE NI B1273
ChainResidue
BHIS179
DHIS179

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT B1274
ChainResidue
BGLU215
BHOH2159
BHOH2217
BMET213
BGLY214

site_idAC5
Number of Residues33
DetailsBINDING SITE FOR RESIDUE NAP A1271
ChainResidue
AARG14
AILE15
ATYR34
AHIS35
AASN36
ASER37
AALA61
AASP62
ALEU63
ATHR64
AASN93
AALA94
ASER95
ATHR126
ALEU159
ACYS160
ATYR174
ALYS178
APRO204
AGLY205
ASER207
ALEU208
AMTX1272
AHOH2008
AHOH2127
AHOH2188
AHOH2189
AHOH2190
AHOH2191
AHOH2192
AHOH2193
AHOH2194
AHOH2195

site_idAC6
Number of Residues16
DetailsBINDING SITE FOR RESIDUE MTX A1272
ChainResidue
AARG14
ASER95
APHE97
APRO99
ACAF168
ATYR174
ALEU208
AMET213
ANAP1271
AHOH2141
AHOH2198
AHOH2199
AHOH2200
AHOH2201
AHOH2202
AHOH2203

site_idAC7
Number of Residues32
DetailsBINDING SITE FOR RESIDUE NAP B1271
ChainResidue
BARG14
BILE15
BHIS33
BTYR34
BHIS35
BASN36
BSER37
BALA61
BASP62
BLEU63
BTHR64
BASN93
BALA94
BSER95
BTHR126
BLEU159
BCYS160
BTYR174
BLYS178
BPRO204
BGLY205
BSER207
BLEU208
BMTX1272
BHOH2004
BHOH2031
BHOH2142
BHOH2205
BHOH2206
BHOH2207
BHOH2208
BHOH2210

site_idAC8
Number of Residues19
DetailsBINDING SITE FOR RESIDUE MTX B1272
ChainResidue
BLEU208
BMET213
BGLU217
BTRP221
BNAP1271
BHOH2139
BHOH2157
BHOH2211
BHOH2212
BHOH2213
BHOH2214
BHOH2215
BHOH2216
BARG14
BSER95
BPHE97
BPRO99
BCAF168
BTYR174

site_idAC9
Number of Residues31
DetailsBINDING SITE FOR RESIDUE NAP C1271
ChainResidue
CARG14
CILE15
CTYR34
CHIS35
CASN36
CSER37
CALA61
CASP62
CLEU63
CTHR64
CASN93
CALA94
CSER95
CTHR126
CLEU159
CCYS160
CTYR174
CLYS178
CPRO204
CGLY205
CVAL206
CSER207
CLEU208
CMTX1272
CHOH2117
CHOH2180
CHOH2181
CHOH2183
CHOH2184
CHOH2185
CHOH2186

site_idBC1
Number of Residues16
DetailsBINDING SITE FOR RESIDUE MTX C1272
ChainResidue
CARG14
CSER95
CPHE97
CPRO99
CTYR174
CLEU208
CMET213
CTRP221
CNAP1271
CHOH2124
CHOH2187
CHOH2188
CHOH2189
CHOH2190
CHOH2191
CHOH2192

site_idBC2
Number of Residues31
DetailsBINDING SITE FOR RESIDUE NAP D1271
ChainResidue
DARG14
DILE15
DHIS33
DTYR34
DHIS35
DASN36
DSER37
DALA61
DASP62
DLEU63
DTHR64
DASN93
DALA94
DSER95
DTHR126
DCYS160
DTYR174
DLYS178
DPRO204
DGLY205
DSER207
DLEU208
DMTX1272
DHOH2114
DHOH2175
DHOH2176
DHOH2177
DHOH2179
DHOH2181
DHOH2182
DHOH2183

site_idBC3
Number of Residues15
DetailsBINDING SITE FOR RESIDUE MTX D1272
ChainResidue
DARG14
DSER95
DPHE97
DPRO99
DTYR174
DLEU208
DPRO210
DMET213
DTRP221
DNAP1271
DHOH2109
DHOH2184
DHOH2185
DHOH2186
DHOH2187

Functional Information from PROSITE/UniProt
site_idPS00061
Number of Residues29
DetailsADH_SHORT Short-chain dehydrogenases/reductases family signature. DamvdqpcmaFslYNMGKHALvGLTqSAA
ChainResidueDetails
AASP161-ALA189

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PDB entries from 2024-04-24

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