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4CMG

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 Residues32
DetailsBINDING SITE FOR RESIDUE NAP A 1269
ChainResidue
AARG14
ATHR64
AASN93
AALA94
ASER95
ATHR126
ALEU159
ACYS160
ATYR174
ALYS178
APRO204
AILE15
AGLY205
AVAL206
ASER207
AUHX1270
AHOH2003
AHOH2004
AHOH2005
AHOH2018
AHOH2062
AHOH2066
ATYR34
AHOH2148
AHOH2149
AHOH2150
AHIS35
AASN36
ASER37
AALA61
AASP62
ALEU63

site_idAC2
Number of Residues30
DetailsBINDING SITE FOR RESIDUE NAP B 1269
ChainResidue
BARG14
BILE15
BHIS33
BTYR34
BHIS35
BASN36
BSER37
BALA61
BASP62
BLEU63
BTHR64
BASN93
BALA94
BSER95
BTHR126
BLEU159
BCYS160
BTYR174
BLYS178
BPRO204
BGLY205
BVAL206
BSER207
BUHX1270
BHOH2003
BHOH2004
BHOH2009
BHOH2024
BHOH2060
BHOH2131

site_idAC3
Number of Residues30
DetailsBINDING SITE FOR RESIDUE NAP C 1269
ChainResidue
CLYS13
CARG14
CILE15
CTYR34
CHIS35
CASN36
CSER37
CALA61
CASP62
CLEU63
CTHR64
CASN93
CALA94
CSER95
CTHR126
CLEU159
CCYS160
CTYR174
CLYS178
CPRO204
CGLY205
CVAL206
CSER207
CUHX1270
CHOH2002
CHOH2003
CHOH2006
CHOH2014
CHOH2112
CHOH2113

site_idAC4
Number of Residues32
DetailsBINDING SITE FOR RESIDUE NAP D 1269
ChainResidue
DASP62
DLEU63
DTHR64
DASN93
DALA94
DSER95
DTHR126
DLEU159
DCYS160
DASP161
DTYR174
DLYS178
DPRO204
DGLY205
DVAL206
DSER207
DUHX1270
DHOH2002
DHOH2003
DHOH2004
DHOH2017
DHOH2018
DHOH2061
DHOH2113
DHOH2114
DARG14
DILE15
DTYR34
DHIS35
DASN36
DSER37
DALA61

site_idAC5
Number of Residues13
DetailsBINDING SITE FOR RESIDUE UHX A 1270
ChainResidue
AARG14
ASER95
APHE97
AASP161
AMET163
ACYS168
ATYR174
AGLY205
ALEU209
APRO210
AMET213
ANAP1269
AHOH2150

site_idAC6
Number of Residues10
DetailsBINDING SITE FOR RESIDUE UHX B 1270
ChainResidue
BSER95
BPHE97
BMET163
BCYS168
BTYR174
BLEU209
BMET213
BTRP221
BNAP1269
BHOH2009

site_idAC7
Number of Residues12
DetailsBINDING SITE FOR RESIDUE UHX C 1270
ChainResidue
CARG14
CSER95
CPHE97
CASP161
CMET163
CTYR174
CGLY205
CLEU209
CMET213
CTRP221
CNAP1269
CHOH2112

site_idAC8
Number of Residues12
DetailsBINDING SITE FOR RESIDUE UHX D 1270
ChainResidue
DARG14
DSER95
DPHE97
DASP161
DMET163
DTYR174
DGLY205
DVAL206
DPRO210
DTRP221
DNAP1269
DHOH2114

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 1271
ChainResidue
BHOH2037
BHOH2038
BHOH2132
BHOH2133
CVAL68
CHOH2027

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT C 1271
ChainResidue
CLYS13
CARG14
CARG17
CHOH2008

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 2024-11-06

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