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6RX6

Trypanosoma brucei PTR1 (TbPTR1) in complex with inhibitor 4 (NMT-C0026)

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 301
ChainResidue
AARG14
ATHR64
AASN93
AALA94
ASER95
ATHR126
ALEU159
ACYS160
ATYR174
ALYS178
APRO204
AILE15
AGLY205
ASER207
ALEU208
AKMK302
AHOH413
AHOH439
AHOH441
AHOH454
AHOH461
AHOH462
ATYR34
AHOH515
AHOH556
AHOH562
AHOH588
AHIS35
AASN36
ASER37
AALA61
AASP62
ALEU63

site_idAC2
Number of Residues17
Detailsbinding site for residue KMK A 302
ChainResidue
AARG14
ASER95
APHE97
AASP161
ATYR174
AGLY205
ALEU208
APRO210
AMET213
ATRP221
ANAP301
AHOH414
AHOH448
AHOH451
AHOH550
AHOH564
AHOH590

site_idAC3
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
BSER207
BLEU208
BKMK302
BHOH415
BHOH430
BHOH437
BHOH456
BHOH465
BHOH484
BHOH503
BHOH554
BHOH568
BHOH581
BHOH593

site_idAC4
Number of Residues14
Detailsbinding site for residue KMK B 302
ChainResidue
BARG14
BSER95
BPHE97
BTYR98
BTYR174
BGLY205
BLEU208
BTRP221
BNAP301
BHOH413
BHOH480
BHOH486
BHOH554
BHOH621

site_idAC5
Number of Residues6
Detailsbinding site for residue ACT B 303
ChainResidue
BMET213
BGLY214
BGLU215
BHOH440
BHOH460
BALA212

site_idAC6
Number of Residues30
Detailsbinding site for residue NAP C 301
ChainResidue
CARG14
CILE15
CTYR34
CHIS35
CASN36
CSER37
CALA61
CASP62
CLEU63
CTHR64
CASN93
CALA94
CSER95
CTHR126
CLEU159
CCYS160
CTYR174
CLYS178
CPRO204
CGLY205
CSER207
CLEU208
CKMK302
CHOH617
CHOH623
CHOH641
CHOH645
CHOH730
CHOH745
CHOH747

site_idAC7
Number of Residues12
Detailsbinding site for residue KMK C 302
ChainResidue
CARG14
CSER95
CPHE97
CASP161
CTYR174
CGLY205
CLEU208
CPRO210
CTRP221
CNAP301
CHOH628
CHOH655

site_idAC8
Number of Residues33
Detailsbinding site for residue NAP D 301
ChainResidue
DARG14
DILE15
DTYR34
DHIS35
DASN36
DSER37
DALA61
DASP62
DLEU63
DTHR64
DASN93
DALA94
DSER95
DTHR126
DLEU159
DCYS160
DTYR174
DLYS178
DPRO204
DGLY205
DSER207
DLEU208
DKMK302
DHOH418
DHOH444
DHOH450
DHOH455
DHOH457
DHOH459
DHOH552
DHOH555
DHOH557
DHOH637

site_idAC9
Number of Residues17
Detailsbinding site for residue KMK D 302
ChainResidue
DARG14
DSER95
DPHE97
DTYR98
DASP161
DTYR174
DGLY205
DLEU208
DPRO210
DMET213
DTRP221
DNAP301
DHOH408
DHOH449
DHOH490
DHOH530
DHOH565

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 2024-10-09

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