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4CM4

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
A4NR1270
AHOH2007
AHOH2008
AHOH2009
AHOH2012
AHOH2014
AHOH2034
ATYR34
AHOH2037
AHOH2100
AHOH2104
AHOH2122
AHOH2219
AHIS35
AASN36
ASER37
AALA61
AASP62
ALEU63

site_idAC2
Number of Residues35
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
B4NR1270
BHOH2008
BHOH2009
BHOH2010
BHOH2013
BHOH2018
BHOH2040
BHOH2043
BHOH2094
BHOH2097
BHOH2110
BHOH2200
BHOH2201

site_idAC3
Number of Residues35
DetailsBINDING SITE FOR RESIDUE NAP C 1269
ChainResidue
CHOH2078
CHOH2088
CHOH2116
CHOH2154
CHOH2155
CARG14
CILE15
CTYR34
CHIS35
CASN36
CSER37
CALA61
CASP62
CLEU63
CTHR64
CASN93
CALA94
CSER95
CTHR126
CLEU159
CCYS160
CTYR174
CLYS178
CPRO204
CGLY205
CSER207
CLEU208
C4NR1270
CHOH2005
CHOH2006
CHOH2007
CHOH2014
CHOH2030
CHOH2033
CHOH2076

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
D4NR1270
DHOH2002
DHOH2003
DHOH2004
DHOH2010
DHOH2028
DHOH2034
DHOH2076
DHOH2079
DHOH2117
DHOH2140

site_idAC5
Number of Residues11
DetailsBINDING SITE FOR RESIDUE 4NR A 1270
ChainResidue
ASER95
APHE97
AASP161
ATYR174
ALEU209
APRO210
AMET213
ATRP221
ANAP1269
AGOL1271
AHOH2164

site_idAC6
Number of Residues10
DetailsBINDING SITE FOR RESIDUE 4NR B 1270
ChainResidue
BSER95
BPHE97
BTYR174
BLEU209
BPRO210
BMET213
BTRP221
BNAP1269
BHOH2018
BHOH2151

site_idAC7
Number of Residues12
DetailsBINDING SITE FOR RESIDUE 4NR C 1270
ChainResidue
CARG14
CSER95
CPHE97
CASP161
CTYR174
CLEU209
CPRO210
CMET213
CTRP221
CNAP1269
CHOH2014
CHOH2116

site_idAC8
Number of Residues10
DetailsBINDING SITE FOR RESIDUE 4NR D 1270
ChainResidue
DSER95
DPHE97
DASP161
DTYR174
DLEU209
DPRO210
DMET213
DTRP221
DNAP1269
DHOH2010

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT B 1271
ChainResidue
BALA212
BMET213
BGLY214
BGLU215
BHOH2155
BHOH2160
BHOH2163

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT B 1272
ChainResidue
BALA56
BVAL58
BHOH2054
CARG82
CHOH2052

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL A 1271
ChainResidue
ACSX168
APRO210
ATRP221
A4NR1270
AHOH2220
AHOH2221

Functional Information from PROSITE/UniProt
site_idPS00061
Number of Residues29
DetailsADH_SHORT Short-chain dehydrogenases/reductases family signature. DamvdqpcmaFslYNMGKHALvGLTqSAA
ChainResidueDetails
AASP161-ALA189
BASP161-ALA189

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PDB entries from 2024-08-14

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