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5JCJ

Trypanosoma brucei PTR1 in complex with inhibitor NMT-H037 (compound 7)

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 Residues32
Detailsbinding site for residue NAP A 301
ChainResidue
AARG14
ALEU63
ATHR64
AASN93
AALA94
ASER95
ATHR126
ALEU159
ACYS160
AASP161
ATYR174
AILE15
ALYS178
AGLY205
ASER207
ALEU208
A6JM303
AHOH416
AHOH420
AHOH427
AHOH442
AHOH450
AHIS33
AHOH464
AHOH476
AHOH511
ATYR34
AHIS35
AASN36
ASER37
AALA61
AASP62

site_idAC2
Number of Residues5
Detailsbinding site for residue ACT A 302
ChainResidue
ALYS13
AARG14
AARG17
AHOH432
AHOH456

site_idAC3
Number of Residues12
Detailsbinding site for residue 6JM A 303
ChainResidue
AARG14
ASER95
APHE97
ATYR174
AVAL206
ALEU208
ALEU209
APRO210
ATRP221
ANAP301
AHOH410
AHOH518

site_idAC4
Number of Residues30
Detailsbinding site for residue NAP B 301
ChainResidue
BARG14
BILE15
BHIS33
BTYR34
BHIS35
BASN36
BSER37
BALA61
BASP62
BLEU63
BTHR64
BASN93
BALA94
BSER95
BTHR126
BLEU159
BCYS160
BASP161
BTYR174
BLYS178
BGLY205
BSER207
BLEU208
B6JM302
BHOH417
BHOH422
BHOH439
BHOH441
BHOH464
BHOH511

site_idAC5
Number of Residues11
Detailsbinding site for residue 6JM B 302
ChainResidue
BARG14
BSER95
BPHE97
BTYR174
BVAL206
BLEU208
BLEU209
BPRO210
BTRP221
BNAP301
BHOH414

site_idAC6
Number of Residues27
Detailsbinding site for residue NAP C 301
ChainResidue
CASN93
CALA94
CSER95
CTHR126
CLEU159
CCYS160
CASP161
CTYR174
CLYS178
CGLY205
CVAL206
CSER207
CLEU208
CHOH419
CHOH441
CHOH450
CHOH477
CHOH494
CARG14
CILE15
CTYR34
CHIS35
CASN36
CSER37
CASP62
CLEU63
CTHR64

site_idAC7
Number of Residues5
Detailsbinding site for residue ACT C 302
ChainResidue
BTYR34
BVAL58
CVAL57
CVAL58
CHOH440

site_idAC8
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
DASP161
DTYR174
DLYS178
DPRO204
DGLY205
DVAL206
DSER207
DLEU208
D6JM302
DHOH405
DHOH410
DHOH424
DHOH429
DHOH432
DHOH467
DHOH511

site_idAC9
Number of Residues13
Detailsbinding site for residue 6JM D 302
ChainResidue
DARG14
DSER95
DPHE97
DMET163
DTYR174
DGLY205
DVAL206
DLEU208
DLEU209
DPRO210
DTRP221
DNAP301
DHOH406

Functional Information from PROSITE/UniProt
site_idPS00061
Number of Residues29
DetailsADH_SHORT Short-chain dehydrogenases/reductases family signature. DamvdqpcmaFslYNMGKHALvGLTqSAA
ChainResidueDetails
AASP161-ALA189
DASP161-ALA189

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PDB entries from 2024-07-24

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