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4CM8

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
ALEU208
AIZ91270
AHOH2008
AHOH2009
AHOH2010
AHOH2013
AHOH2017
AHOH2049
ATYR34
AHOH2054
AHOH2154
AHOH2157
AHOH2298
AHOH2300
AHIS35
AASN36
ASER37
AALA61
AASP62
ALEU63

site_idAC2
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
BSER207
BLEU208
BIZ91270
BHOH2008
BHOH2009
BHOH2010
BHOH2023
BHOH2060
BHOH2068
BHOH2073
BHOH2156
BHOH2289

site_idAC3
Number of Residues33
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
CSER207
CLEU208
CIZ91270
CHOH2009
CHOH2010
CHOH2011
CHOH2019
CHOH2047
CHOH2053
CHOH2131
CHOH2134
CHOH2238
CHOH2240

site_idAC4
Number of Residues32
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
DSER207
DLEU208
DIZ91270
DHOH2005
DHOH2006
DHOH2007
DHOH2018
DHOH2045
DHOH2051
DHOH2114
DHOH2204
DHOH2205

site_idAC5
Number of Residues14
DetailsBINDING SITE FOR RESIDUE IZ9 A 1270
ChainResidue
AARG14
ASER95
APHE97
AASP161
AMET163
ACSX168
ATYR174
AGLY205
APRO210
ATRP221
ANAP1269
ADTT1272
AHOH2017
DHIS267

site_idAC6
Number of Residues16
DetailsBINDING SITE FOR RESIDUE IZ9 B 1270
ChainResidue
BARG14
BSER95
BPHE97
BASP161
BMET163
BGLN166
BCYS168
BTYR174
BGLY205
BPRO210
BTRP221
BNAP1269
BDTT1271
BHOH2023
BHOH2195
CHIS267

site_idAC7
Number of Residues16
DetailsBINDING SITE FOR RESIDUE IZ9 C 1270
ChainResidue
BHIS267
CARG14
CSER95
CPHE97
CASP161
CMET163
CGLN166
CCSX168
CTYR174
CPRO210
CTRP221
CNAP1269
CGOL1272
CHOH2019
CHOH2163
CHOH2171

site_idAC8
Number of Residues15
DetailsBINDING SITE FOR RESIDUE IZ9 D 1270
ChainResidue
AHIS267
DARG14
DSER95
DPHE97
DASP161
DMET163
DGLN166
DCSX168
DTYR174
DPRO210
DTRP221
DNAP1269
DGOL1271
DHOH2018
DHOH2149

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 1271
ChainResidue
ALYS13
AARG14
AARG17
AHOH2015
AHOH2301

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT C 1271
ChainResidue
BTYR34
BVAL58
CVAL57
CVAL58
CHOH2081

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE DTT A 1272
ChainResidue
APHE97
ACSX168
ALEU209
AIZ91270
AHOH2302

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE DTT B 1271
ChainResidue
BPHE97
BCYS168
BIZ91270
BHOH2290

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL C 1272
ChainResidue
CCSX168
CMET213
CTRP221
CIZ91270
CHOH2242

site_idBC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL D 1271
ChainResidue
DPHE97
DCSX168
DVAL206
DMET213
DTRP221
DIZ91270
DHOH2054

Functional Information from PROSITE/UniProt
site_idPS00061
Number of Residues29
DetailsADH_SHORT Short-chain dehydrogenases/reductases family signature. DamvdqpcmaFslYNMGKHALvGLTqSAA
ChainResidueDetails
AASP161-ALA189
BASP161-ALA189

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PDB entries from 2024-09-04

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