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4CL8

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 Residues13
DetailsBINDING SITE FOR RESIDUE OZJ A 1168
ChainResidue
AARG14
AACT1271
AHOH2011
AHOH2106
AHOH2110
ASER95
APHE97
ACYS168
ATYR174
AGLY205
ALEU209
APRO210
ANAP1269

site_idAC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE OZJ B 1168
ChainResidue
BARG14
BSER95
BPHE97
BCYS168
BTYR174
BGLY205
BPRO210
BNAP1269
BACT1270
BHOH2113
BHOH2124

site_idAC3
Number of Residues12
DetailsBINDING SITE FOR RESIDUE OZJ C 1168
ChainResidue
CARG14
CSER95
CPHE97
CASP161
CCYS168
CTYR174
CGLY205
CPRO210
CNAP1269
CHOH2010
CHOH2089
CHOH2093

site_idAC4
Number of Residues10
DetailsBINDING SITE FOR RESIDUE OZJ D 1168
ChainResidue
DARG14
DSER95
DPHE97
DCYS168
DTYR174
DGLY205
DPRO210
DNAP1269
DHOH2008
DHOH2081

site_idAC5
Number of Residues32
DetailsBINDING SITE FOR RESIDUE NAP A 1269
ChainResidue
AARG14
AILE15
ATYR34
AHIS35
AASN36
ASER37
AALA61
AASP62
ALEU63
ATHR64
AASN93
AALA94
ASER95
ATHR126
ALEU159
ACYS160
ATYR174
ALYS178
APRO204
AGLY205
AVAL206
ASER207
ALEU208
AOZJ1168
AHOH2004
AHOH2005
AHOH2006
AHOH2008
AHOH2024
AHOH2027
AHOH2093
AHOH2178

site_idAC6
Number of Residues33
DetailsBINDING SITE FOR RESIDUE NAP B 1269
ChainResidue
BSER207
BLEU208
BOZJ1168
BHOH2004
BHOH2005
BHOH2006
BHOH2011
BHOH2031
BHOH2038
BHOH2090
BHOH2176
BHOH2177
BARG14
BILE15
BTYR34
BHIS35
BASN36
BSER37
BALA61
BASP62
BLEU63
BTHR64
BASN93
BALA94
BSER95
BTHR126
BLEU159
BCYS160
BASP161
BTYR174
BLYS178
BPRO204
BGLY205

site_idAC7
Number of Residues30
DetailsBINDING SITE FOR RESIDUE NAP C 1269
ChainResidue
CARG14
CILE15
CTYR34
CHIS35
CASN36
CSER37
CALA61
CASP62
CLEU63
CTHR64
CASN93
CALA94
CSER95
CTHR126
CLEU159
CCYS160
CTYR174
CLYS178
CPRO204
CGLY205
CSER207
CLEU208
COZJ1168
CHOH2003
CHOH2004
CHOH2005
CHOH2010
CHOH2025
CHOH2069
CHOH2071

site_idAC8
Number of Residues30
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
DOZJ1168
DHOH2003
DHOH2004
DHOH2005
DHOH2008
DHOH2018
DHOH2062
DHOH2113

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 1270
ChainResidue
ALYS13
AARG14
AARG17
AHOH2012
AHOH2179

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT C 1270
ChainResidue
BTYR34
BVAL58
CVAL57
CVAL58
CHOH2040

site_idBC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT A 1271
ChainResidue
APHE97
AMET213
ATRP221
AOZJ1168
AHOH2180
AHOH2181

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT B 1270
ChainResidue
BMET213
BTRP221
BOZJ1168
BHOH2178

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 2024-07-24

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