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4CLE

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 Residues34
DetailsBINDING SITE FOR RESIDUE NAP A 1269
ChainResidue
AARG14
ATHR64
AASN93
AALA94
ASER95
ATHR126
ALEU159
ACYS160
ATYR174
ALYS178
APRO204
AILE15
AGLY205
ASER207
AJR21270
AHOH2006
AHOH2007
AHOH2008
AHOH2014
AHOH2051
AHOH2053
AHOH2138
ATYR34
AHOH2214
AHOH2264
AHOH2265
AHOH2266
AHOH2267
AHIS35
AASN36
ASER37
AALA61
AASP62
ALEU63

site_idAC2
Number of Residues31
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
BSER207
BLEU208
BJR21270
BHOH2004
BHOH2005
BHOH2006
BHOH2041
BHOH2045
BHOH2125
BHOH2145
BHOH2235

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
CTYR174
CLYS178
CPRO204
CGLY205
CVAL206
CSER207
CJR21270
CDTD1271
CHOH2006
CHOH2007
CHOH2008
CHOH2016
CHOH2042
CHOH2118
CHOH2215

site_idAC4
Number of Residues30
DetailsBINDING SITE FOR RESIDUE NAP D 1269
ChainResidue
DHIS35
DASN36
DSER37
DALA61
DASP62
DLEU63
DTHR64
DASN93
DALA94
DSER95
DTHR126
DLEU159
DCYS160
DLYS178
DPRO204
DGLY205
DSER207
DJR21270
DHOH2005
DHOH2006
DHOH2007
DHOH2009
DHOH2038
DHOH2043
DHOH2119
DHOH2197
DHOH2199
DARG14
DILE15
DTYR34

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE JR2 A 1270
ChainResidue
ASER95
APHE97
ATYR174
ANAP1269
AJR21271

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE JR2 B 1270
ChainResidue
BARG14
BSER95
BPHE97
BTYR174
BPRO210
BNAP1269

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE JR2 C 1270
ChainResidue
CARG14
CSER95
CPHE97
CTYR174
CPRO210
CNAP1269
CDTD1271

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE JR2 D 1270
ChainResidue
DARG14
DSER95
DPHE97
DTYR174
DPRO210
DNAP1269
DJR21271

site_idAC9
Number of Residues10
DetailsBINDING SITE FOR RESIDUE JR2 A 1271
ChainResidue
APHE97
AASP161
AMET163
ACYS168
AGLY205
ALEU209
ATRP221
AJR21270
AHOH2194
AHOH2196

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE JR2 D 1271
ChainResidue
DPHE97
DASP161
DMET163
DCYS168
DLEU209
DJR21270

site_idBC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE DTD B 1271
ChainResidue
BCYS168
BLEU209
BHOH2236

site_idBC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE DTD C 1271
ChainResidue
CPHE97
CCYS168
CGLY205
CTRP221
CNAP1269
CJR21270
CHOH2145
CHOH2153
CHOH2216

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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