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4CLD

Crystal structure of pteridine reductase 1 (PTR1) from Trypanosoma brucei in ternary complex with cofactor and inhibitor

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 Residues34
DetailsBINDING SITE FOR RESIDUE NAP A 1269
ChainResidue
AARG14
ATHR64
AASN93
AALA94
ASER95
ATHR126
ALEU159
ACYS160
ATYR174
ALYS178
APRO204
AILE15
AGLY205
ASER207
ALEU208
AJUO1270
AHOH2006
AHOH2007
AHOH2008
AHOH2011
AHOH2039
AHOH2043
ATYR34
AHOH2110
AHOH2111
AHOH2229
AHOH2231
AHOH2232
AHIS35
AASN36
ASER37
AALA61
AASP62
ALEU63

site_idAC2
Number of Residues34
DetailsBINDING SITE FOR RESIDUE NAP B 1269
ChainResidue
BARG14
BILE15
BTYR34
BHIS35
BASN36
BSER37
BALA61
BASP62
BLEU63
BTHR64
BASN93
BALA94
BSER95
BTHR126
BLEU159
BCYS160
BTYR174
BLYS178
BPRO204
BGLY205
BSER207
BLEU208
BJUO1270
BHOH2007
BHOH2008
BHOH2009
BHOH2054
BHOH2064
BHOH2132
BHOH2133
BHOH2151
BHOH2240
BHOH2241
BHOH2242

site_idAC3
Number of Residues34
DetailsBINDING SITE FOR RESIDUE NAP C 1269
ChainResidue
CHOH2214
CHOH2215
CHOH2216
CARG14
CILE15
CTYR34
CHIS35
CASN36
CSER37
CALA61
CASP62
CLEU63
CTHR64
CASN93
CALA94
CSER95
CTHR126
CLEU159
CCYS160
CTYR174
CLYS178
CPRO204
CGLY205
CSER207
CLEU208
CJUO1270
CHOH2009
CHOH2010
CHOH2011
CHOH2042
CHOH2120
CHOH2123
CHOH2124
CHOH2136

site_idAC4
Number of Residues33
DetailsBINDING SITE FOR RESIDUE NAP D 1269
ChainResidue
DARG14
DILE15
DTYR34
DHIS35
DASN36
DSER37
DALA61
DASP62
DLEU63
DTHR64
DASN93
DALA94
DSER95
DTHR126
DLEU159
DCYS160
DTYR174
DLYS178
DPRO204
DGLY205
DSER207
DLEU208
DJUO1270
DHOH2007
DHOH2008
DHOH2009
DHOH2034
DHOH2038
DHOH2101
DHOH2102
DHOH2183
DHOH2184
DHOH2185

site_idAC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE JUO A 1270
ChainResidue
AARG14
APHE97
AASP161
ATYR174
ALEU209
APRO210
ATRP221
ANAP1269
AHOH2145

site_idAC6
Number of Residues12
DetailsBINDING SITE FOR RESIDUE JUO B 1270
ChainResidue
BARG14
BPHE97
BASP161
BTYR174
BLEU208
BPRO210
BTRP221
BNAP1269
BHOH2133
BHOH2164
BHOH2166
BHOH2243

site_idAC7
Number of Residues12
DetailsBINDING SITE FOR RESIDUE JUO C 1270
ChainResidue
CARG14
CPHE97
CASP161
CTYR174
CVAL206
CLEU209
CPRO210
CNAP1269
CHOH2123
CHOH2146
CHOH2216
CHOH2217

site_idAC8
Number of Residues12
DetailsBINDING SITE FOR RESIDUE JUO D 1270
ChainResidue
DARG14
DPHE97
DASP161
DTYR174
DLEU208
DLEU209
DPRO210
DTRP221
DNAP1269
DHOH2102
DHOH2130
DHOH2186

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 1271
ChainResidue
ALYS13
AARG14
AARG17
AHOH2013
AHOH2234

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 1271
ChainResidue
BTYR34
BVAL58
BHOH2091
BHOH2244
CVAL57
CVAL58

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

221371

PDB entries from 2024-06-19

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