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4CMA

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
ATYR174
ALYS178
APRO204
AILE15
AGLY205
AVAL206
ASER207
AM2N1270
AHOH2004
AHOH2005
AHOH2006
AHOH2033
AHOH2038
AHOH2097
ATYR34
AHOH2100
AHOH2208
AHOH2209
AHOH2210
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
BVAL206
BSER207
BM2N1270
BHOH2004
BHOH2005
BHOH2006
BHOH2033
BHOH2037
BHOH2101
BHOH2104
BHOH2189
BHOH2190

site_idAC3
Number of Residues31
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
CVAL206
CSER207
CM2N1270
CHOH2004
CHOH2005
CHOH2007
CHOH2011
CHOH2028
CHOH2072
CHOH2074
CHOH2147

site_idAC4
Number of Residues33
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
DVAL206
DSER207
DM2N1270
DHOH2004
DHOH2005
DHOH2006
DHOH2012
DHOH2027
DHOH2028
DHOH2074
DHOH2086
DHOH2135
DHOH2137
DARG14
DILE15
DTYR34

site_idAC5
Number of Residues10
DetailsBINDING SITE FOR RESIDUE M2N A 1270
ChainResidue
AARG14
ASER95
APHE97
AASP161
AMET163
ATYR174
AGLY205
ALEU209
ANAP1269
AHOH2210

site_idAC6
Number of Residues8
DetailsBINDING SITE FOR RESIDUE M2N B 1270
ChainResidue
BSER95
BPHE97
BASP161
BTYR174
BGLY205
BVAL206
BLEU209
BNAP1269

site_idAC7
Number of Residues10
DetailsBINDING SITE FOR RESIDUE M2N C 1270
ChainResidue
CARG14
CSER95
CPHE97
CASP161
CTYR174
CGLY205
CVAL206
CLEU209
CNAP1269
CHOH2011

site_idAC8
Number of Residues9
DetailsBINDING SITE FOR RESIDUE M2N D 1270
ChainResidue
DSER95
DPHE97
DASP161
DCYS168
DTYR174
DGLY205
DLEU209
DNAP1269
DHOH2012

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT C 1271
ChainResidue
CGLN186
CGLY254
CILE256
CHOH2137
CHOH2149
CHOH2150
DLYS258

site_idBC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT A 1271
ChainResidue
AGLN186
AGLY254
AILE256
AHOH2196
AHOH2212
AHOH2213
BLYS258

site_idBC2
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT B 1271
ChainResidue
ALYS258
BGLN186
BGLY254
BILE256
BHOH2181

site_idBC3
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT C 1272
ChainResidue
CLYS13
CARG14
CARG17
CHOH2009
CHOH2151

site_idBC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE ACT A 1272
ChainResidue
ACYS59
AGLN60
ASER72
AGLU75
AHOH2214
DSER53
DHOH2035
DHOH2041

site_idBC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT D 1271
ChainResidue
CLYS258
DGLN186
DGLY254
DILE256
DHOH2132
DHOH2138

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 2024-11-13

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