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4CLR

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 Residues34
DetailsBINDING SITE FOR RESIDUE NAP A 1269
ChainResidue
AARG14
ATHR64
AASN93
AALA94
ASER95
ATHR126
ALEU159
ACYS160
ATYR174
ALYS178
APRO204
AILE15
AGLY205
AVAL206
ASER207
ALEU208
AFDB1270
AHOH2013
AHOH2014
AHOH2015
AHOH2019
AHOH2023
ATYR34
AHOH2051
AHOH2054
AHOH2123
AHOH2126
AHOH2256
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
BTYR174
BLYS178
BPRO204
BGLY205
BVAL206
BSER207
BLEU208
BFDB1270
BHOH2010
BHOH2011
BHOH2012
BHOH2014
BHOH2020
BHOH2049
BHOH2051
BHOH2122
BHOH2125
BHOH2239
BHOH2240

site_idAC3
Number of Residues34
DetailsBINDING SITE FOR RESIDUE NAP C 1269
ChainResidue
CHOH2124
CHOH2126
CHOH2145
CHOH2236
CARG14
CILE15
CTYR34
CHIS35
CASN36
CSER37
CALA61
CASP62
CLEU63
CTHR64
CASN93
CALA94
CSER95
CTHR126
CLEU159
CCYS160
CTYR174
CLYS178
CPRO204
CGLY205
CSER207
CLEU208
CFDB1270
CHOH2005
CHOH2006
CHOH2007
CHOH2009
CHOH2013
CHOH2038
CHOH2041

site_idAC4
Number of Residues34
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
DSER207
DLEU208
DFDB1270
DHOH2013
DHOH2014
DHOH2015
DHOH2019
DHOH2026
DHOH2052
DHOH2055
DHOH2113
DHOH2115
DHOH2128
DHOH2197

site_idAC5
Number of Residues7
DetailsBINDING SITE FOR RESIDUE FDB A 1270
ChainResidue
AARG14
ASER95
APHE97
ATYR174
APRO210
ANAP1269
AHOH2023

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE FDB B 1270
ChainResidue
BARG14
BSER95
BPHE97
BTYR174
BPRO210
BNAP1269
BHOH2020

site_idAC7
Number of Residues7
DetailsBINDING SITE FOR RESIDUE FDB C 1270
ChainResidue
CARG14
CSER95
CPHE97
CTYR174
CPRO210
CNAP1269
CHOH2013

site_idAC8
Number of Residues7
DetailsBINDING SITE FOR RESIDUE FDB D 1270
ChainResidue
DARG14
DSER95
DPHE97
DTYR174
DPRO210
DNAP1269
DHOH2026

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

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PDB entries from 2024-05-29

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