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4CLO

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
ASER207
AXP01270
AHOH2005
AHOH2006
AHOH2007
AHOH2011
AHOH2032
AHOH2114
ATYR34
AHOH2215
AHIS35
AASN36
ASER37
AALA61
AASP62
ALEU63

site_idAC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE XP0 A 1270
ChainResidue
ASER95
APHE97
AASP161
ATYR174
ALEU209
APRO210
ATRP221
ANAP1269

site_idAC3
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
BASP161
BTYR174
BLYS178
BPRO204
BGLY205
BVAL206
BSER207
BXP01270
BHOH2005
BHOH2006
BHOH2007
BHOH2012
BHOH2037
BHOH2040
BHOH2095
BHOH2098
BHOH2196

site_idAC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE XP0 B 1270
ChainResidue
BSER95
BPHE97
BTYR174
BLEU209
BPRO210
BTRP221
BNAP1269

site_idAC5
Number of Residues34
DetailsBINDING SITE FOR RESIDUE NAP C 1269
ChainResidue
CGLY205
CVAL206
CSER207
CXP01270
CHOH2005
CHOH2006
CHOH2007
CHOH2014
CHOH2033
CHOH2037
CHOH2093
CHOH2184
CHOH2185
CARG14
CILE15
CHIS33
CTYR34
CHIS35
CASN36
CSER37
CALA61
CASP62
CLEU63
CTHR64
CASN93
CALA94
CSER95
CTHR126
CLEU159
CCYS160
CASP161
CTYR174
CLYS178
CPRO204

site_idAC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE XP0 C 1270
ChainResidue
CSER95
CPHE97
CTYR174
CVAL206
CLEU209
CPRO210
CTRP221
CNAP1269
CHOH2135

site_idAC7
Number of Residues32
DetailsBINDING SITE FOR RESIDUE NAP D 1269
ChainResidue
DARG14
DILE15
DHIS33
DTYR34
DHIS35
DASN36
DSER37
DALA61
DASP62
DLEU63
DTHR64
DASN93
DALA94
DSER95
DTHR126
DLEU159
DCYS160
DTYR174
DLYS178
DPRO204
DGLY205
DVAL206
DSER207
DXP01270
DHOH2005
DHOH2006
DHOH2007
DHOH2014
DHOH2016
DHOH2038
DHOH2111
DHOH2180

site_idAC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE XP0 D 1270
ChainResidue
DSER95
DPHE97
DTYR174
DVAL206
DLEU209
DMET213
DTRP221
DNAP1269

site_idAC9
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL D 1271
ChainResidue
DLEU208
DLEU209
DGLU231
DALA232
DSER233
DHOH2165

Functional Information from PROSITE/UniProt
site_idPS00061
Number of Residues29
DetailsADH_SHORT Short-chain dehydrogenases/reductases family signature. DamvdqpcmaFslYNMGKHALvGLTqSAA
ChainResidueDetails
BASP161-ALA189
AASP161-ALA189

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PDB entries from 2024-07-24

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