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4CM1

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 Residues5
DetailsBINDING SITE FOR RESIDUE DTT A 1168
ChainResidue
ACYS168
AMET213
ATRP221
AHOH2170
AHOH2171

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE DTT B 1168
ChainResidue
BCYS168
BPHE171
BTRP221
BHOH2187

site_idAC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE DTT C 1168
ChainResidue
CCYS168
CPHE171
CGLU217
CTRP221
CHOH2154

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE DTT D 1168
ChainResidue
DCYS168
DMET213
DGLU217
DTRP221

site_idAC5
Number of Residues33
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
ASER207
ALEU208
AIQW1270
AHOH2009
AHOH2010
AHOH2011
AHOH2015
AHOH2041
AHOH2048
AHOH2122
AHOH2125
AHOH2246
AHOH2249

site_idAC6
Number of Residues33
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
BIQW1270
BHOH2007
BHOH2008
BHOH2009
BHOH2054
BHOH2063
BHOH2138
BHOH2141
BHOH2159
BHOH2258
BHOH2259

site_idAC7
Number of Residues33
DetailsBINDING SITE FOR RESIDUE NAP C 1269
ChainResidue
CCYS160
CTYR174
CLYS178
CPRO204
CGLY205
CSER207
CLEU208
CIQW1270
CHOH2005
CHOH2006
CHOH2007
CHOH2012
CHOH2044
CHOH2117
CHOH2133
CHOH2204
CHOH2205
CHOH2206
CARG14
CILE15
CTYR34
CHIS35
CASN36
CSER37
CALA61
CASP62
CLEU63
CTHR64
CASN93
CALA94
CSER95
CTHR126
CLEU159

site_idAC8
Number of Residues33
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
DIQW1270
DHOH2004
DHOH2005
DHOH2006
DHOH2014
DHOH2036
DHOH2040
DHOH2099
DHOH2143
DHOH2169
DHOH2170

site_idAC9
Number of Residues9
DetailsBINDING SITE FOR RESIDUE IQW A 1270
ChainResidue
ASER95
APHE97
AASP161
ATYR174
ALEU209
APRO210
ATRP221
ANAP1269
AHOH2190

site_idBC1
Number of Residues9
DetailsBINDING SITE FOR RESIDUE IQW B 1270
ChainResidue
BARG14
BSER95
BPHE97
BTYR174
BLEU209
BTRP221
BNAP1269
BHOH2016
BHOH2204

site_idBC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE IQW C 1270
ChainResidue
CSER95
CPHE97
CASP161
CTYR174
CGLY205
CLEU209
CPRO210
CMET213
CTRP221
CNAP1269
CHOH2164

site_idBC3
Number of Residues12
DetailsBINDING SITE FOR RESIDUE IQW D 1270
ChainResidue
DARG14
DSER95
DPHE97
DASP161
DTYR174
DLEU209
DPRO210
DMET213
DTRP221
DNAP1269
DHOH2014
DHOH2143

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 1271
ChainResidue
ALYS13
AARG14
AARG17
AHOH2016
AHOH2250

site_idBC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT B 1271
ChainResidue
BTYR34
BVAL58
BHOH2098
CVAL57
CVAL58
CHOH2074

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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