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4CMC

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 Residues31
DetailsBINDING SITE FOR RESIDUE NAP A 1269
ChainResidue
AARG14
ATHR64
AASN93
AALA94
ASER95
ATHR126
ALEU159
ACYS160
AASP161
ATYR174
ALYS178
AILE15
APRO204
AGLY205
AVAL206
ASER207
AVS81270
AHOH2005
AHOH2006
AHOH2007
AHOH2032
AHOH2111
ATYR34
AHOH2216
AHOH2217
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
BASP161
BTYR174
BLYS178
BPRO204
BGLY205
BVAL206
BSER207
BVS81270
BHOH2005
BHOH2006
BHOH2007
BHOH2041
BHOH2044
BHOH2047
BHOH2105
BHOH2108
BHOH2123
BHOH2201

site_idAC3
Number of Residues31
DetailsBINDING SITE FOR RESIDUE NAP C 1269
ChainResidue
CARG14
CILE15
CTYR34
CHIS35
CASN36
CSER37
CALA61
CASP62
CLEU63
CTHR64
CASN93
CALA94
CSER95
CTHR126
CLEU159
CCYS160
CASP161
CTYR174
CLYS178
CPRO204
CGLY205
CVAL206
CSER207
CVS81270
CHOH2006
CHOH2007
CHOH2035
CHOH2042
CHOH2100
CHOH2188
CHOH2189

site_idAC4
Number of Residues30
DetailsBINDING SITE FOR RESIDUE NAP D 1269
ChainResidue
DTYR34
DHIS35
DASN36
DSER37
DALA61
DASP62
DLEU63
DTHR64
DASN93
DALA94
DSER95
DTHR126
DLEU159
DCYS160
DTYR174
DLYS178
DPRO204
DGLY205
DVAL206
DSER207
DVS81270
DHOH2003
DHOH2004
DHOH2005
DHOH2029
DHOH2088
DHOH2157
DARG14
DILE15
DHIS33

site_idAC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE VS8 A 1270
ChainResidue
AARG14
ASER95
APHE97
AASP161
ATYR174
AGLY205
ALEU209
APRO210
ANAP1269

site_idAC6
Number of Residues10
DetailsBINDING SITE FOR RESIDUE VS8 B 1270
ChainResidue
BARG14
BSER95
BPHE97
BASP161
BCYS168
BTYR174
BGLY205
BLEU209
BNAP1269
BHOH2139

site_idAC7
Number of Residues9
DetailsBINDING SITE FOR RESIDUE VS8 C 1270
ChainResidue
CARG14
CSER95
CPHE97
CASP161
CTYR174
CGLY205
CLEU209
CNAP1269
CHOH2127

site_idAC8
Number of Residues9
DetailsBINDING SITE FOR RESIDUE VS8 D 1270
ChainResidue
DARG14
DSER95
DPHE97
DASP161
DTYR174
DGLY205
DLEU209
DNAP1269
DHOH2113

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 2024-07-17

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