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6HNC

Trypanosoma brucei PTR1 in complex with cycloguanil

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 301
ChainResidue
AARG14
ALEU63
ATHR64
AASN93
AALA94
ASER95
ATHR126
ALEU159
ACYS160
AASP161
ATYR174
AILE15
ALYS178
APRO204
AGLY205
AVAL206
ASER207
ALEU208
A1CY302
AGOL304
AHOH412
AHOH413
AHIS33
AHOH419
AHOH423
AHOH481
AHOH499
AHOH519
ATYR34
AHIS35
AASN36
ASER37
AALA61
AASP62

site_idAC2
Number of Residues9
Detailsbinding site for residue 1CY A 302
ChainResidue
AARG14
ASER95
APHE97
ATYR174
AVAL206
ATRP221
ANAP301
AGOL304
AHOH473

site_idAC3
Number of Residues6
Detailsbinding site for residue ACT A 303
ChainResidue
ALYS258
AHOH409
AHOH442
AHOH448
CGLN186
CGLY254

site_idAC4
Number of Residues7
Detailsbinding site for residue GOL A 304
ChainResidue
ASER95
AALA96
APHE97
ANAP301
A1CY302
AHOH423
AHOH510

site_idAC5
Number of Residues7
Detailsbinding site for residue DMS A 305
ChainResidue
AGLN186
AGLY254
AILE256
AHOH504
CLYS258
CHOH409
CHOH563

site_idAC6
Number of Residues34
Detailsbinding site for residue NAP B 301
ChainResidue
BARG14
BILE15
BTYR34
BHIS35
BASN36
BSER37
BALA61
BASP62
BLEU63
BTHR64
BASN93
BALA94
BSER95
BTHR126
BLEU159
BCYS160
BTYR174
BLYS178
BPRO204
BGLY205
BVAL206
BSER207
BLEU208
B1CY302
BHOH409
BHOH420
BHOH430
BHOH438
BHOH449
BHOH486
BHOH489
BHOH501
BHOH503
BHOH539

site_idAC7
Number of Residues8
Detailsbinding site for residue 1CY B 302
ChainResidue
BPHE97
BTYR174
BLEU209
BTRP221
BNAP301
BHOH532
BARG14
BSER95

site_idAC8
Number of Residues5
Detailsbinding site for residue ACT B 303
ChainResidue
BLYS13
BARG14
BARG17
BHOH412
BHOH437

site_idAC9
Number of Residues5
Detailsbinding site for residue GOL B 304
ChainResidue
BGLU215
BLYS218
BARG222
BHOH403
BHOH485

site_idAD1
Number of Residues5
Detailsbinding site for residue GOL B 305
ChainResidue
BARG230
BGLU231
BSER233
BHOH411
BHOH523

site_idAD2
Number of Residues7
Detailsbinding site for residue GOL B 306
ChainResidue
BASN65
BILE129
BHOH559
CASN65
CVAL120
CALA121
CHOH482

site_idAD3
Number of Residues6
Detailsbinding site for residue DMS B 307
ChainResidue
BLYS258
BHOH462
DGLN186
DGLY254
DILE256
DHOH512

site_idAD4
Number of Residues27
Detailsbinding site for residue NAP C 301
ChainResidue
CARG14
CILE15
CTYR34
CHIS35
CASN36
CSER37
CASP62
CLEU63
CTHR64
CASN93
CALA94
CSER95
CTHR126
CLEU159
CCYS160
CTYR174
CLYS178
CPRO204
CGLY205
CVAL206
CSER207
CLEU208
CHOH401
CHOH416
CHOH418
CHOH468
CHOH490

site_idAD5
Number of Residues6
Detailsbinding site for residue ACT C 302
ChainResidue
CVAL57
CVAL58
CHOH413
CHOH496
DTYR34
DVAL58

site_idAD6
Number of Residues4
Detailsbinding site for residue ACT C 303
ChainResidue
CARG223
CLYS224
CVAL225
CARG229

site_idAD7
Number of Residues9
Detailsbinding site for residue GOL C 304
ChainResidue
CTYR34
CGLN60
CHOH402
CHOH404
CHOH406
DASP46
DALA56
DVAL57
DVAL58

site_idAD8
Number of Residues33
Detailsbinding site for residue NAP D 301
ChainResidue
DARG14
DILE15
DHIS33
DTYR34
DHIS35
DASN36
DSER37
DALA61
DASP62
DLEU63
DTHR64
DASN93
DALA94
DSER95
DTHR126
DLEU159
DCYS160
DTYR174
DLYS178
DPRO204
DGLY205
DVAL206
DSER207
DLEU208
D1CY302
DHOH408
DHOH413
DHOH448
DHOH450
DHOH458
DHOH462
DHOH492
DHOH549

site_idAD9
Number of Residues5
Detailsbinding site for residue 1CY D 302
ChainResidue
DARG14
DSER95
DPHE97
DTYR174
DNAP301

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

225946

PDB entries from 2024-10-09

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