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4CM7

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 Residues32
DetailsBINDING SITE FOR RESIDUE NAP A 1269
ChainResidue
AARG14
ATHR64
AASN93
AALA94
ASER95
ATHR126
ALEU159
ACYS160
ATYR174
ALYS178
APRO204
AILE15
AGLY205
ASER207
ALEU208
AH0V1270
AHOH2005
AHOH2006
AHOH2007
AHOH2009
AHOH2036
AHOH2040
ATYR34
AHOH2105
AHOH2220
AHOH2222
AHIS35
AASN36
ASER37
AALA61
AASP62
ALEU63

site_idAC2
Number of Residues32
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
BH0V1270
BHOH2004
BHOH2005
BHOH2006
BHOH2036
BHOH2041
BHOH2110
BHOH2122
BHOH2212
BHOH2213

site_idAC3
Number of Residues32
DetailsBINDING SITE FOR RESIDUE NAP C 1269
ChainResidue
CARG14
CILE15
CHIS33
CTYR34
CHIS35
CASN36
CSER37
CALA61
CASP62
CLEU63
CTHR64
CASN93
CALA94
CSER95
CTHR126
CLEU159
CCYS160
CTYR174
CLYS178
CPRO204
CGLY205
CSER207
CLEU208
CH0V1270
CHOH2005
CHOH2006
CHOH2007
CHOH2031
CHOH2036
CHOH2095
CHOH2184
CHOH2187

site_idAC4
Number of Residues31
DetailsBINDING SITE FOR RESIDUE NAP D 1269
ChainResidue
DHIS35
DASN36
DSER37
DALA61
DASP62
DLEU63
DTHR64
DASN93
DALA94
DSER95
DTHR126
DLEU159
DCYS160
DTYR174
DLYS178
DPRO204
DGLY205
DSER207
DLEU208
DH0V1270
DHOH2003
DHOH2004
DHOH2005
DHOH2010
DHOH2029
DHOH2033
DHOH2147
DHOH2148
DARG14
DILE15
DTYR34

site_idAC5
Number of Residues9
DetailsBINDING SITE FOR RESIDUE H0V A 1270
ChainResidue
AARG14
ASER95
APHE97
ATYR174
AGLY205
ATRP221
ANAP1269
AHOH2012
AHOH2140

site_idAC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE H0V B 1270
ChainResidue
BARG14
BSER95
BPHE97
BTYR174
BGLY205
BTRP221
BNAP1269
BHOH2012
BHOH2137

site_idAC7
Number of Residues10
DetailsBINDING SITE FOR RESIDUE H0V C 1270
ChainResidue
CARG14
CSER95
CPHE97
CTYR174
CGLY205
CLEU208
CTRP221
CNAP1269
CHOH2012
CHOH2124

site_idAC8
Number of Residues10
DetailsBINDING SITE FOR RESIDUE H0V D 1270
ChainResidue
DARG14
DSER95
DPHE97
DTYR174
DGLY205
DLEU208
DPRO210
DTRP221
DNAP1269
DHOH2010

site_idAC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 1271
ChainResidue
ALYS13
AARG14
AARG17
AHOH2010
AHOH2223

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 1272
ChainResidue
APRO226
AGLY228
AARG229
AHOH2185
AHOH2186

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT C 1271
ChainResidue
BTYR34
BVAL58
CVAL57
CVAL58
CHOH2054

site_idBC3
Number of Residues4
DetailsBINDING SITE FOR RESIDUE ACT A 1273
ChainResidue
AARG222
AARG230
AGLU231
AHOH2187

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

220113

PDB entries from 2024-05-22

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