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4CM9

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 Residues2
DetailsBINDING SITE FOR RESIDUE DTT A 1168
ChainResidue
ACYS168
ATRP221

site_idAC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE DTT B 1168
ChainResidue
BCYS168
BPHE171
BMET213
BTRP221
BHOH2123

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE DTT C 1168
ChainResidue
CTRP221
CCYS168
CGLU217

site_idAC4
Number of Residues32
DetailsBINDING SITE FOR RESIDUE NAP A 1269
ChainResidue
AARG14
AILE15
ATYR34
AHIS35
AASN36
ASER37
AALA61
AASP62
ALEU63
ATHR64
AASN93
AALA94
ASER95
ATHR126
ALEU159
ACYS160
ATYR174
ALYS178
APRO204
AGLY205
AVAL206
ASER207
ALEU208
AYGL1270
AHOH2004
AHOH2005
AHOH2006
AHOH2022
AHOH2077
AHOH2081
AHOH2180
AHOH2181

site_idAC5
Number of Residues32
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
BYGL1270
BHOH2007
BHOH2008
BHOH2009
BHOH2031
BHOH2034
BHOH2085
BHOH2087
BHOH2169

site_idAC6
Number of Residues30
DetailsBINDING SITE FOR RESIDUE NAP C 1269
ChainResidue
CHOH2004
CHOH2006
CHOH2020
CHOH2145
CHOH2146
CARG14
CILE15
CTYR34
CHIS35
CASN36
CSER37
CALA61
CASP62
CLEU63
CTHR64
CASN93
CALA94
CSER95
CTHR126
CLEU159
CCYS160
CTYR174
CLYS178
CPRO204
CGLY205
CSER207
CLEU208
CYGL1270
CHOH2002
CHOH2003

site_idAC7
Number of Residues36
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
DYGL1270
DHOH2003
DHOH2004
DHOH2005
DHOH2006
DHOH2022
DHOH2024
DHOH2065
DHOH2067
DHOH2079
DHOH2123
DHOH2124
DHOH2125

site_idAC8
Number of Residues11
DetailsBINDING SITE FOR RESIDUE YGL A 1270
ChainResidue
AARG14
ASER95
APHE97
AASP161
AMET163
ACYS168
ATYR174
AGLY205
ALEU209
APRO210
ANAP1269

site_idAC9
Number of Residues12
DetailsBINDING SITE FOR RESIDUE YGL B 1270
ChainResidue
BARG14
BSER95
BPHE97
BASP161
BMET163
BCYS168
BTYR174
BGLY205
BLEU209
BPRO210
BNAP1269
BHOH2014

site_idBC1
Number of Residues12
DetailsBINDING SITE FOR RESIDUE YGL C 1270
ChainResidue
CARG14
CSER95
CPHE97
CASP161
CMET163
CCYS168
CTYR174
CGLY205
CLEU209
CPRO210
CNAP1269
CHOH2006

site_idBC2
Number of Residues12
DetailsBINDING SITE FOR RESIDUE YGL D 1270
ChainResidue
DARG14
DSER95
DPHE97
DASP161
DMET163
DCSX168
DTYR174
DGLY205
DLEU209
DPRO210
DNAP1269
DHOH2125

site_idBC3
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT C 1271
ChainResidue
CGLN186
CGLY254
CILE256
CHOH2137
CHOH2148
DLYS258

Functional Information from PROSITE/UniProt
site_idPS00061
Number of Residues29
DetailsADH_SHORT Short-chain dehydrogenases/reductases family signature. DamvdqpcmaFslYNMGKHALvGLTqSAA
ChainResidueDetails
AASP161-ALA189
DASP161-ALA189

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PDB entries from 2024-07-24

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