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4CLX

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 Residues37
DetailsBINDING SITE FOR RESIDUE NAP A 1269
ChainResidue
AARG14
ATHR64
AASN93
AALA94
ASER95
ATHR126
ALEU159
ACYS160
ATYR174
ALYS178
APRO204
AILE15
AGLY205
AVAL206
ASER207
ALEU208
AQ0K1270
AHOH2006
AHOH2007
AHOH2008
AHOH2011
AHOH2038
ATYR34
AHOH2043
AHOH2105
AHOH2109
AHOH2169
AHOH2226
AHOH2227
AHOH2228
AHOH2229
AHIS35
AASN36
ASER37
AALA61
AASP62
ALEU63

site_idAC2
Number of Residues35
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
BQ0K1270
BHOH2004
BHOH2005
BHOH2006
BHOH2035
BHOH2037
BHOH2090
BHOH2093
BHOH2108
BHOH2149
BHOH2192
BHOH2193

site_idAC3
Number of Residues32
DetailsBINDING SITE FOR RESIDUE NAP C 1269
ChainResidue
CHOH2082
CHOH2127
CHOH2170
CHOH2171
CHOH2172
CARG14
CILE15
CTYR34
CHIS35
CASN36
CSER37
CALA61
CASP62
CLEU63
CTHR64
CASN93
CALA94
CSER95
CTHR126
CLEU159
CCYS160
CTYR174
CLYS178
CPRO204
CGLY205
CSER207
CQ0K1270
CHOH2004
CHOH2005
CHOH2006
CHOH2027
CHOH2032

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
DVAL206
DSER207
DQ0K1270
DHOH2003
DHOH2004
DHOH2005
DHOH2027
DHOH2030
DHOH2087
DHOH2133
DHOH2162
DHOH2163

site_idAC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE Q0K A 1270
ChainResidue
ASER95
APHE97
ATYR174
ALEU209
APRO210
ATRP221
ANAP1269
AHOH2015
AHOH2230

site_idAC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE Q0K B 1270
ChainResidue
BSER95
BPHE97
BTYR174
BLEU209
BTRP221
BNAP1269
BHOH2012
BHOH2194

site_idAC7
Number of Residues8
DetailsBINDING SITE FOR RESIDUE Q0K C 1270
ChainResidue
CSER95
CPHE97
CTYR174
CPRO210
CTRP221
CNAP1269
CHOH2013
CHOH2173

site_idAC8
Number of Residues9
DetailsBINDING SITE FOR RESIDUE Q0K D 1270
ChainResidue
DSER95
DPHE97
DTYR174
DVAL206
DPRO210
DTRP221
DNAP1269
DHOH2010
DHOH2164

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 1271
ChainResidue
ALYS13
AARG14
AARG17
AHOH2013
AHOH2231

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 2024-05-01

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