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4CMK

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
APHE97
ATHR126
ALEU159
ACYS160
ALYS178
APRO204
AILE15
AGLY205
AVAL206
ASER207
ALEU208
AFQW1270
AHOH2005
AHOH2006
AHOH2007
AHOH2010
AHOH2029
ATYR34
AHOH2034
AHOH2080
AHOH2169
AHIS35
AASN36
ASER37
AALA61
AASP62
ALEU63

site_idAC2
Number of Residues32
DetailsBINDING SITE FOR RESIDUE NAP B 1269
ChainResidue
BARG14
BILE15
BHIS33
BHIS35
BASN36
BSER37
BALA61
BASP62
BLEU63
BTHR64
BASN93
BALA94
BSER95
BTHR126
BLEU159
BCYS160
BTYR174
BLYS178
BPRO204
BGLY205
BVAL206
BSER207
BLEU208
BFQW1270
BHOH2004
BHOH2005
BHOH2006
BHOH2029
BHOH2033
BHOH2072
BHOH2157
BHOH2158

site_idAC3
Number of Residues31
DetailsBINDING SITE FOR RESIDUE NAP C 1269
ChainResidue
CARG14
CILE15
CHIS33
CTYR34
CHIS35
CASN36
CSER37
CALA61
CASP62
CLEU63
CTHR64
CASN93
CALA94
CSER95
CTHR126
CLEU159
CCYS160
CTYR174
CLYS178
CPRO204
CGLY205
CVAL206
CSER207
CLEU208
CFQW1270
CHOH2003
CHOH2004
CHOH2005
CHOH2011
CHOH2025
CHOH2068

site_idAC4
Number of Residues31
DetailsBINDING SITE FOR RESIDUE NAP D 1269
ChainResidue
DASN36
DSER37
DALA61
DASP62
DLEU63
DTHR64
DASN93
DALA94
DSER95
DTHR126
DLEU159
DCYS160
DTYR174
DLYS178
DPRO204
DGLY205
DVAL206
DSER207
DLEU208
DFQW1270
DHOH2002
DHOH2003
DHOH2004
DHOH2007
DHOH2017
DHOH2060
DHOH2108
DARG14
DILE15
DTYR34
DHIS35

site_idAC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE FQW A 1270
ChainResidue
AARG14
ASER95
APHE97
AASP161
APHE171
ATYR174
AGLY205
APRO210
ANAP1269

site_idAC6
Number of Residues11
DetailsBINDING SITE FOR RESIDUE FQW B 1270
ChainResidue
BARG14
BSER95
BPHE97
BASP161
BTYR174
BGLY205
BLEU209
BPRO210
BMET213
BTRP221
BNAP1269

site_idAC7
Number of Residues12
DetailsBINDING SITE FOR RESIDUE FQW C 1270
ChainResidue
CARG14
CSER95
CPHE97
CASP161
CCYS168
CTYR174
CGLY205
CPRO210
CMET213
CTRP221
CNAP1269
CHOH2011

site_idAC8
Number of Residues10
DetailsBINDING SITE FOR RESIDUE FQW D 1270
ChainResidue
DARG14
DSER95
DPHE97
DASP161
DPHE171
DTYR174
DGLY205
DPRO210
DNAP1269
DHOH2007

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT A 1271
ChainResidue
ALYS13
AARG14
AARG17
AHOH2011
AHOH2170
AHOH2171

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 2024-11-20

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