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4CM3

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 Residues5
DetailsBINDING SITE FOR RESIDUE DTU A 1168
ChainResidue
ACYS168
AGLU217
ATRP221
AKP21270
AHOH2098

site_idAC2
Number of Residues4
DetailsBINDING SITE FOR RESIDUE DTU B 1168
ChainResidue
BCYS168
BPHE171
BTRP221
BHOH2106

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE DTU C 1168
ChainResidue
BHOH2152
CCYS168
CTRP221

site_idAC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DTU D 1168
ChainResidue
AHOH2157
DCYS168
DPHE171
DTRP221
DKP21270
DHOH2070

site_idAC5
Number of Residues31
DetailsBINDING SITE FOR RESIDUE NAP A 1269
ChainResidue
AARG14
AILE15
ATYR34
AHIS35
AASN36
ASER37
AALA61
AASP62
ALEU63
ATHR64
AASN93
AALA94
ASER95
ATHR126
ALEU159
ACYS160
ATYR174
ALYS178
APRO204
AGLY205
ASER207
ALEU208
AKP21270
AHOH2005
AHOH2006
AHOH2007
AHOH2020
AHOH2023
AHOH2068
AHOH2113
AHOH2159

site_idAC6
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
BKP21270
BHOH2006
BHOH2007
BHOH2008
BHOH2014
BHOH2028
BHOH2031
BHOH2074
BHOH2154
BHOH2155
BHOH2156

site_idAC7
Number of Residues32
DetailsBINDING SITE FOR RESIDUE NAP C 1269
ChainResidue
CTYR174
CLYS178
CPRO204
CGLY205
CSER207
CLEU208
CKP21270
CHOH2003
CHOH2004
CHOH2005
CHOH2010
CHOH2021
CHOH2053
CHOH2085
CHOH2115
CARG14
CILE15
CHIS33
CTYR34
CHIS35
CASN36
CSER37
CALA61
CASP62
CLEU63
CTHR64
CASN93
CALA94
CSER95
CTHR126
CLEU159
CCYS160

site_idAC8
Number of Residues30
DetailsBINDING SITE FOR RESIDUE NAP D 1269
ChainResidue
DARG14
DILE15
DHIS33
DTYR34
DHIS35
DASN36
DSER37
DALA61
DASP62
DLEU63
DTHR64
DASN93
DALA94
DSER95
DTHR126
DCYS160
DTYR174
DLYS178
DPRO204
DGLY205
DSER207
DLEU208
DKP21270
DHOH2002
DHOH2003
DHOH2004
DHOH2006
DHOH2008
DHOH2015
DHOH2045

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE KP2 A 1270
ChainResidue
ASER95
APHE97
ATYR174
ADTU1168
ANAP1269
AHOH2011
AHOH2113

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE KP2 B 1270
ChainResidue
BSER95
BPHE97
BTYR174
BLEU209
BNAP1269
BHOH2014
BHOH2116

site_idBC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE KP2 C 1270
ChainResidue
CSER95
CPHE97
CASP161
CTYR174
CPRO210
CNAP1269
CHOH2010

site_idBC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE KP2 D 1270
ChainResidue
DSER95
DPHE97
DTYR174
DLEU209
DPRO210
DDTU1168
DNAP1269
DHOH2008
DHOH2075

site_idBC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT A 1271
ChainResidue
ALYS13
AARG14
AARG17
AHOH2009
AHOH2160

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 2024-11-06

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