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5JDI

Trypanosoma brucei PTR1 in complex with cofactor and inhibitor NMT-H024 (compound 2)

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
ATHR64
AASN93
AALA94
ASER95
ATHR126
ALEU159
ACYS160
AASP161
ATYR174
ALYS178
AILE15
AGLY205
ASER207
ALEU208
A6JO304
AHOH418
AHOH420
AHOH427
AHOH429
AHOH432
AHOH463
ATYR34
AHOH508
AHOH518
AHOH557
AHOH558
AHOH564
AHIS35
AASN36
ASER37
AALA61
AASP62
ALEU63

site_idAC2
Number of Residues4
Detailsbinding site for residue ACT A 302
ChainResidue
ALYS13
AARG14
AARG17
AHOH475

site_idAC3
Number of Residues2
Detailsbinding site for residue ACT A 303
ChainResidue
APRO4
ATHR26

site_idAC4
Number of Residues13
Detailsbinding site for residue 6JO A 304
ChainResidue
AARG14
ASER95
APHE97
ATYR174
AGLY205
AVAL206
ALEU208
ALEU209
APRO210
ATRP221
ANAP301
AHOH411
AHOH557

site_idAC5
Number of Residues32
Detailsbinding site for residue NAP B 301
ChainResidue
BARG14
BILE15
BTYR34
BHIS35
BASN36
BSER37
BALA61
BASP62
BLEU63
BTHR64
BASN93
BALA94
BSER95
BTHR126
BLEU159
BCYS160
BASP161
BTYR174
BLYS178
BGLY205
BSER207
BLEU208
B6JO302
BHOH420
BHOH427
BHOH428
BHOH433
BHOH459
BHOH461
BHOH535
BHOH547
BHOH555

site_idAC6
Number of Residues13
Detailsbinding site for residue 6JO B 302
ChainResidue
BARG14
BSER95
BPHE97
BTYR174
BGLY205
BVAL206
BLEU208
BLEU209
BPRO210
BTRP221
BNAP301
BHOH429
BHOH531

site_idAC7
Number of Residues29
Detailsbinding site for residue NAP C 301
ChainResidue
CILE15
CTYR34
CHIS35
CASN36
CSER37
CALA61
CASP62
CLEU63
CTHR64
CASN93
CALA94
CSER95
CTHR126
CLEU159
CCYS160
CASP161
CTYR174
CLYS178
CPRO204
CGLY205
CSER207
CHOH401
CHOH405
CHOH427
CHOH440
CHOH493
CHOH508
CHOH512
CARG14

site_idAC8
Number of Residues3
Detailsbinding site for residue ACT C 302
ChainResidue
BTYR34
CVAL57
CVAL58

site_idAC9
Number of Residues34
Detailsbinding site for residue NAP D 301
ChainResidue
DARG14
DILE15
DTYR34
DHIS35
DASN36
DSER37
DALA61
DASP62
DLEU63
DTHR64
DASN93
DALA94
DSER95
DTHR126
DLEU159
DCYS160
DASP161
DTYR174
DLYS178
DGLY205
DSER207
DLEU208
D6JO302
DHOH412
DHOH419
DHOH422
DHOH424
DHOH436
DHOH438
DHOH517
DHOH550
DHOH551
DHOH561
DHOH563

site_idAD1
Number of Residues14
Detailsbinding site for residue 6JO D 302
ChainResidue
DARG14
DSER95
DPHE97
DTYR174
DGLY205
DVAL206
DLEU208
DLEU209
DPRO210
DTRP221
DNAP301
DHOH428
DHOH547
DHOH550

Functional Information from PROSITE/UniProt
site_idPS00061
Number of Residues29
DetailsADH_SHORT Short-chain dehydrogenases/reductases family signature. DamvdqpcmaFslYNMGKHALvGLTqSAA
ChainResidueDetails
AASP161-ALA189
CASP161-ALA189

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PDB entries from 2024-07-17

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