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2YHI

Trypanosoma brucei PTR1 in complex with inhibitor WH16

Functional Information from GO Data
ChainGOidnamespacecontents
A0016491molecular_functionoxidoreductase activity
B0016491molecular_functionoxidoreductase activity
C0016491molecular_functionoxidoreductase activity
D0016491molecular_functionoxidoreductase activity
Functional Information from PDB Data
site_idAC1
Number of Residues35
DetailsBINDING SITE FOR RESIDUE NAP A 1269
ChainResidue
ALYS13
ALEU63
ATHR64
AASN93
AALA94
ASER95
ATHR126
ALEU159
ACYS160
AASP161
ATYR174
AARG14
ALYS178
APRO204
AGLY205
AVAL206
ASER207
ALEU208
AW161270
AHOH2004
AHOH2005
AHOH2006
AILE15
AHOH2011
AHOH2026
AHOH2064
AHOH2065
AHOH2155
AHOH2156
ATYR34
AHIS35
AASN36
ASER37
AALA61
AASP62

site_idAC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE W16 A 1270
ChainResidue
APHE97
AASP161
ATYR174
AMET213
ATRP221
ANAP1269
ADTV1271
AHOH2011
AHOH2065

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE DTV A 1271
ChainResidue
APHE97
ACYS168
AGLU217
ATRP221
AW161270
AACT1272
AHOH2097

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT A 1272
ChainResidue
APHE97
ADTV1271
AHOH2068

site_idAC5
Number of Residues34
DetailsBINDING SITE FOR RESIDUE NAP B 1269
ChainResidue
BARG14
BILE15
BTYR34
BHIS35
BASN36
BSER37
BALA61
BASP62
BLEU63
BTHR64
BASN93
BALA94
BSER95
BTHR126
BLEU159
BCYS160
BASP161
BTYR174
BLYS178
BPRO204
BGLY205
BVAL206
BSER207
BLEU208
BW161270
BHOH2005
BHOH2006
BHOH2007
BHOH2009
BHOH2013
BHOH2025
BHOH2068
BHOH2069
BHOH2151

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE W16 B 1270
ChainResidue
BPHE97
BASP161
BTYR174
BTRP221
BNAP1269
BDTU1271
BHOH2069

site_idAC7
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DTU B 1271
ChainResidue
BTRP221
BW161270
BPHE97
BCYS168
BPHE171
BMET213

site_idAC8
Number of Residues35
DetailsBINDING SITE FOR RESIDUE NAP C 1269
ChainResidue
CARG14
CILE15
CTYR34
CHIS35
CASN36
CSER37
CALA61
CASP62
CLEU63
CTHR64
CASN93
CALA94
CSER95
CTHR126
CLEU159
CCYS160
CASP161
CTYR174
CLYS178
CPRO204
CGLY205
CVAL206
CSER207
CLEU208
CW161270
CHOH2002
CHOH2003
CHOH2004
CHOH2006
CHOH2018
CHOH2046
CHOH2048
CHOH2049
CHOH2100
CHOH2101

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE W16 C 1270
ChainResidue
CPHE97
CASP161
CTYR174
CTRP221
CNAP1269
CDTT1271
CHOH2048

site_idBC1
Number of Residues4
DetailsBINDING SITE FOR RESIDUE DTT C 1271
ChainResidue
CCYS168
CMET213
CTRP221
CW161270

site_idBC2
Number of Residues37
DetailsBINDING SITE FOR RESIDUE NAP D 1269
ChainResidue
DLYS13
DARG14
DILE15
DTYR34
DHIS35
DASN36
DSER37
DALA61
DASP62
DLEU63
DTHR64
DASN93
DALA94
DSER95
DTHR126
DLEU159
DCYS160
DASP161
DTYR174
DLYS178
DPRO204
DGLY205
DVAL206
DSER207
DLEU208
DW161270
DHOH2004
DHOH2005
DHOH2006
DHOH2008
DHOH2012
DHOH2028
DHOH2031
DHOH2072
DHOH2073
DHOH2124
DHOH2125

site_idBC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE W16 D 1270
ChainResidue
DPHE97
DASP161
DTYR174
DMET213
DTRP221
DNAP1269
DDTT1271
DHOH2012
DHOH2073

site_idBC4
Number of Residues6
DetailsBINDING SITE FOR RESIDUE DTT D 1271
ChainResidue
DCYS168
DMET213
DGLU217
DTRP221
DW161270
DACT1272

site_idBC5
Number of Residues3
DetailsBINDING SITE FOR RESIDUE ACT D 1272
ChainResidue
DPHE97
DPRO99
DDTT1271

Functional Information from PROSITE/UniProt
site_idPS00061
Number of Residues29
DetailsADH_SHORT Short-chain dehydrogenases/reductases family signature. DamvdqpcmaFslYNMGKHALvGLTqSAA
ChainResidueDetails
BASP161-ALA189
AASP161-ALA189

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PDB entries from 2024-07-17

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