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4CME

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 Residues30
DetailsBINDING SITE FOR RESIDUE NAP A 1269
ChainResidue
AARG14
ATHR64
AASN93
AALA94
ASER95
ATHR126
ALEU159
ACYS160
AASP161
ATYR174
ALYS178
AILE15
APRO204
AGLY205
AVAL206
ASER207
AKTZ1270
AHOH2007
AHOH2008
AHOH2013
AHOH2033
AHOH2097
ATYR34
AHOH2209
AHIS35
AASN36
ASER37
AALA61
AASP62
ALEU63

site_idAC2
Number of Residues30
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
BKTZ1270
BHOH2004
BHOH2005
BHOH2031
BHOH2035
BHOH2098
BHOH2189

site_idAC3
Number of Residues32
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
CGLY205
CVAL206
CSER207
CLEU208
CKTZ1270
CHOH2005
CHOH2006
CHOH2007
CHOH2013
CHOH2028
CHOH2086
CHOH2162
CHOH2163

site_idAC4
Number of Residues34
DetailsBINDING SITE FOR RESIDUE NAP D 1269
ChainResidue
DASP62
DLEU63
DTHR64
DASN93
DALA94
DSER95
DTHR126
DLEU159
DCYS160
DASP161
DTYR174
DLYS178
DPRO204
DGLY205
DVAL206
DSER207
DKTZ1270
DHOH2006
DHOH2007
DHOH2008
DHOH2009
DHOH2014
DHOH2035
DHOH2038
DHOH2091
DHOH2105
DHOH2172
DARG14
DILE15
DTYR34
DHIS35
DASN36
DSER37
DALA61

site_idAC5
Number of Residues8
DetailsBINDING SITE FOR RESIDUE KTZ A 1270
ChainResidue
AARG14
ASER95
APHE97
AMET163
ATYR174
AGLY205
APRO210
ANAP1269

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE KTZ B 1270
ChainResidue
BARG14
BSER95
BPHE97
BTYR174
BGLY205
BLEU209
BNAP1269

site_idAC7
Number of Residues9
DetailsBINDING SITE FOR RESIDUE KTZ C 1270
ChainResidue
CARG14
CSER95
CPHE97
CCSX168
CTYR174
CGLY205
CLEU209
CPRO210
CNAP1269

site_idAC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE KTZ D 1270
ChainResidue
DARG14
DSER95
DPHE97
DCSX168
DTYR174
DGLY205
DLEU209
DNAP1269

Functional Information from PROSITE/UniProt
site_idPS00061
Number of Residues29
DetailsADH_SHORT Short-chain dehydrogenases/reductases family signature. DamvdqpcmaFslYNMGKHALvGLTqSAA
ChainResidueDetails
AASP161-ALA189
CASP161-ALA189

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PDB entries from 2024-09-04

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