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4CLH

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 Residues35
DetailsBINDING SITE FOR RESIDUE NAP A 1269
ChainResidue
AARG14
ALEU63
ATHR64
AASN93
AALA94
ASER95
ATHR126
ALEU159
ACYS160
ATYR174
ALYS178
AILE15
APRO204
AGLY205
ASER207
ALEU208
AW8G1270
AW8G1271
AHOH2005
AHOH2006
AHOH2007
AHOH2010
AHIS33
AHOH2038
AHOH2043
AHOH2110
AHOH2127
AHOH2212
AHOH2213
ATYR34
AHIS35
AASN36
ASER37
AALA61
AASP62

site_idAC2
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
BW8G1270
BW8G1271
BHOH2003
BHOH2004
BHOH2005
BHOH2037
BHOH2040
BHOH2044
BHOH2102
BHOH2199
BHOH2200

site_idAC3
Number of Residues31
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
CW8G1270
CW8G1271
CHOH2004
CHOH2005
CHOH2006
CHOH2028
CHOH2085
CHOH2087
CHOH2161
CHOH2162

site_idAC4
Number of Residues29
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
DW8G1270
DW8G1271
DHOH2003
DHOH2004
DHOH2005
DHOH2033
DHOH2083

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE W8G A 1270
ChainResidue
AARG14
ASER95
APHE97
ATYR174
APRO210
ANAP1269
AW8G1271

site_idAC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE W8G B 1270
ChainResidue
BARG14
BSER95
BPHE97
BTYR174
BLEU208
BPRO210
BNAP1269
BHOH2201

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE W8G C 1270
ChainResidue
CARG14
CSER95
CPHE97
CTYR174
CPRO210
CNAP1269
CW8G1271

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE W8G D 1270
ChainResidue
DARG14
DSER95
DPHE97
DTYR174
DPRO210
DNAP1269
DW8G1271

site_idAC9
Number of Residues9
DetailsBINDING SITE FOR RESIDUE W8G A 1271
ChainResidue
APHE97
AASP161
ACYS168
AGLY205
ALEU209
ATRP221
ANAP1269
AW8G1270
AHOH2148

site_idBC1
Number of Residues9
DetailsBINDING SITE FOR RESIDUE W8G B 1271
ChainResidue
BPHE97
BASP161
BMET163
BCYS168
BGLY205
BLEU209
BTRP221
BNAP1269
BHOH2140

site_idBC2
Number of Residues11
DetailsBINDING SITE FOR RESIDUE W8G C 1271
ChainResidue
CPHE97
CASP161
CMET163
CCYS168
CGLY205
CLEU209
CMET213
CTRP221
CNAP1269
CW8G1270
CHOH2116

site_idBC3
Number of Residues10
DetailsBINDING SITE FOR RESIDUE W8G D 1271
ChainResidue
DPHE97
DASP161
DMET163
DCYS168
DGLY205
DLEU209
DTRP221
DNAP1269
DW8G1270
DHOH2110

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 1272
ChainResidue
ALYS13
AARG14
AARG17
AHOH2012
AHOH2216

site_idBC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT C 1272
ChainResidue
BTYR34
BVAL58
CVAL57
CVAL58

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 2024-07-10

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