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4CMI

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 Residues33
DetailsBINDING SITE FOR RESIDUE NAP A 1269
ChainResidue
AARG14
ATHR64
AASN93
AALA94
ASER95
ATHR126
ALEU159
ACYS160
ALYS178
APRO204
AGLY205
AILE15
ASER207
ALEU208
AM4V1270
AHOH2004
AHOH2005
AHOH2006
AHOH2008
AHOH2010
AHOH2031
AHOH2035
ATYR34
AHOH2089
AHOH2091
AHOH2195
AHOH2197
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
BM4V1270
BHOH2005
BHOH2006
BHOH2007
BHOH2013
BHOH2032
BHOH2037
BHOH2100
BHOH2194
BHOH2195
BHOH2196

site_idAC3
Number of Residues33
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
CLEU208
CM4V1270
CHOH2004
CHOH2005
CHOH2006
CHOH2011
CHOH2024
CHOH2029
CHOH2032
CHOH2083
CHOH2165
CHOH2166

site_idAC4
Number of Residues30
DetailsBINDING SITE FOR RESIDUE NAP D 1269
ChainResidue
DILE15
DTYR34
DHIS35
DASN36
DSER37
DALA61
DASP62
DLEU63
DTHR64
DASN93
DALA94
DSER95
DTHR126
DLEU159
DCYS160
DTYR174
DLYS178
DPRO204
DGLY205
DSER207
DLEU208
DM4V1270
DHOH2002
DHOH2003
DHOH2004
DHOH2008
DHOH2025
DHOH2076
DHOH2079
DARG14

site_idAC5
Number of Residues12
DetailsBINDING SITE FOR RESIDUE M4V A 1270
ChainResidue
AARG14
ASER95
APHE97
AMET163
AGLN166
ATYR174
AGLY205
ALEU209
APRO210
ANAP1269
AHOH2010
DHIS267

site_idAC6
Number of Residues10
DetailsBINDING SITE FOR RESIDUE M4V B 1270
ChainResidue
BARG14
BSER95
BPHE97
BASP161
BMET163
BGLN166
BTYR174
BLEU209
BNAP1269
BHOH2197

site_idAC7
Number of Residues11
DetailsBINDING SITE FOR RESIDUE M4V C 1270
ChainResidue
CARG14
CSER95
CPHE97
CMET163
CGLN166
CCYS168
CTYR174
CGLY205
CPRO210
CNAP1269
CHOH2011

site_idAC8
Number of Residues12
DetailsBINDING SITE FOR RESIDUE M4V D 1270
ChainResidue
DARG14
DSER95
DPHE97
DASP161
DMET163
DGLN166
DTYR174
DGLY205
DLEU209
DPRO210
DNAP1269
DHOH2010

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT B 1271
ChainResidue
BALA212
BMET213
BGLY214
BGLU215
BHOH2151
BHOH2156
BHOH2198

site_idBC1
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT C 1271
ChainResidue
BTYR34
BVAL58
CVAL57
CVAL58
CHOH2047

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

220113

PDB entries from 2024-05-22

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