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4CM5

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 Residues10
DetailsBINDING SITE FOR RESIDUE NWJ A 1270
ChainResidue
AARG14
AHOH2095
ASER95
APHE97
ACYS168
ATYR174
APRO210
ANAP1269
AHOH2006
AHOH2086

site_idAC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE NWJ B 1270
ChainResidue
BSER95
BPHE97
BCYS168
BTYR174
BGLY205
BLEU209
BPRO210
BNAP1269
BHOH2070

site_idAC3
Number of Residues11
DetailsBINDING SITE FOR RESIDUE NWJ C 1270
ChainResidue
CARG14
CSER95
CPHE97
CCYS168
CTYR174
CGLY205
CPRO210
CNAP1269
CHOH2006
CHOH2073
CHOH2078

site_idAC4
Number of Residues9
DetailsBINDING SITE FOR RESIDUE NWJ D 1270
ChainResidue
DARG14
DSER95
DPHE97
DCYS168
DTYR174
DGLY205
DPRO210
DNAP1269
DHOH2072

site_idAC5
Number of Residues27
DetailsBINDING SITE FOR RESIDUE NAP A 1269
ChainResidue
AARG14
AILE15
ATYR34
AHIS35
AASN36
ASER37
AALA61
AASP62
ALEU63
ATHR64
AASN93
AALA94
ASER95
ATHR126
ACYS160
ATYR174
ALYS178
APRO204
AGLY205
ASER207
ANWJ1270
AHOH2002
AHOH2003
AHOH2004
AHOH2006
AHOH2017
AHOH2065

site_idAC6
Number of Residues31
DetailsBINDING SITE FOR RESIDUE NAP B 1269
ChainResidue
BARG14
BILE15
BHIS33
BTYR34
BHIS35
BASN36
BSER37
BALA61
BASP62
BLEU63
BTHR64
BASN93
BALA94
BSER95
BTHR126
BLEU159
BCYS160
BTYR174
BLYS178
BPRO204
BGLY205
BVAL206
BSER207
BNWJ1270
BHOH2002
BHOH2003
BHOH2004
BHOH2017
BHOH2019
BHOH2020
BHOH2051

site_idAC7
Number of Residues28
DetailsBINDING SITE FOR RESIDUE NAP C 1269
ChainResidue
CTYR34
CHIS35
CASN36
CSER37
CALA61
CASP62
CLEU63
CTHR64
CASN93
CALA94
CSER95
CTHR126
CLEU159
CCYS160
CTYR174
CLYS178
CPRO204
CGLY205
CVAL206
CSER207
CNWJ1270
CHOH2002
CHOH2003
CHOH2006
CHOH2017
CHOH2054
CARG14
CILE15

site_idAC8
Number of Residues30
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
DNWJ1270
DHOH2002
DHOH2003
DHOH2004
DHOH2005
DHOH2017
DHOH2052
DHOH2054

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

221716

PDB entries from 2024-06-26

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