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4CM6

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 Residues35
DetailsBINDING SITE FOR RESIDUE NAP A 1269
ChainResidue
AARG14
ATHR64
AASN93
AALA94
ASER95
ATHR126
ALEU159
ACYS160
AASP161
ATYR174
ALYS178
AILE15
APRO204
AGLY205
ASER207
ALEU208
AAOB1270
AHOH2004
AHOH2005
AHOH2006
AHOH2008
AHOH2011
ATYR34
AHOH2031
AHOH2034
AHOH2103
AHOH2107
AHOH2222
AHOH2223
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
BVAL206
BSER207
BLEU208
BAOB1270
BHOH2005
BHOH2006
BHOH2007
BHOH2013
BHOH2036
BHOH2040
BHOH2099
BHOH2102
BHOH2190
BHOH2191

site_idAC3
Number of Residues34
DetailsBINDING SITE FOR RESIDUE NAP C 1269
ChainResidue
CHOH2095
CHOH2106
CHOH2175
CHOH2177
CARG14
CILE15
CTYR34
CHIS35
CASN36
CSER37
CALA61
CASP62
CLEU63
CTHR64
CASN93
CALA94
CSER95
CTHR126
CLEU159
CCYS160
CTYR174
CLYS178
CPRO204
CGLY205
CVAL206
CSER207
CLEU208
CAOB1270
CHOH2004
CHOH2005
CHOH2006
CHOH2012
CHOH2035
CHOH2039

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
DVAL206
DSER207
DLEU208
DAOB1270
DHOH2005
DHOH2006
DHOH2007
DHOH2014
DHOH2035
DHOH2038
DHOH2103
DHOH2171
DHOH2172

site_idAC5
Number of Residues10
DetailsBINDING SITE FOR RESIDUE AOB A 1270
ChainResidue
AARG14
ASER95
APHE97
AASP161
AMET163
ATYR174
APRO210
ATRP221
ANAP1269
AHOH2011

site_idAC6
Number of Residues12
DetailsBINDING SITE FOR RESIDUE AOB B 1270
ChainResidue
BARG14
BSER95
BPHE97
BASP161
BMET163
BCYS168
BTYR174
BPRO210
BTRP221
BNAP1269
BHOH2013
BHOH2125

site_idAC7
Number of Residues11
DetailsBINDING SITE FOR RESIDUE AOB C 1270
ChainResidue
CARG14
CSER95
CPHE97
CASP161
CMET163
CCYS168
CTYR174
CPRO210
CTRP221
CNAP1269
CHOH2012

site_idAC8
Number of Residues12
DetailsBINDING SITE FOR RESIDUE AOB D 1270
ChainResidue
DARG14
DSER95
DPHE97
DASP161
DMET163
DCYS168
DTYR174
DPRO210
DTRP221
DNAP1269
DHOH2014
DHOH2173

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT A 1271
ChainResidue
ALYS13
AARG14
AARG17
AHOH2009
AHOH2224
AHOH2225

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 2024-06-12

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