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2X9V

High resolution structure of TbPTR1 with trimetrexate

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 Residues35
DetailsBINDING SITE FOR RESIDUE NAP A 1269
ChainResidue
ALYS13
ALEU63
ATHR64
AASN93
AALA94
ASER95
ATHR126
ALEU159
ACYS160
ATYR174
ALYS178
AARG14
APRO204
AGLY205
AVAL206
ASER207
ALEU208
ATMQ1270
AHOH2171
AHOH2225
AHOH2300
AHOH2302
AILE15
AHOH2303
AHOH2304
AHOH2305
AHOH2306
AHOH2307
AHOH2308
ATYR34
AHIS35
AASN36
ASER37
AALA61
AASP62

site_idAC2
Number of Residues33
DetailsBINDING SITE FOR RESIDUE NAP B 1269
ChainResidue
BARG14
BILE15
BTYR34
BHIS35
BASN36
BSER37
BALA61
BASP62
BLEU63
BTHR64
BASN93
BALA94
BSER95
BTHR126
BLEU159
BCYS160
BTYR174
BLYS178
BPRO204
BGLY205
BSER207
BLEU208
BTMQ1270
BHOH2178
BHOH2227
BHOH2310
BHOH2311
BHOH2313
BHOH2314
BHOH2316
BHOH2317
BHOH2318
BHOH2319

site_idAC3
Number of Residues34
DetailsBINDING SITE FOR RESIDUE NAP C 1269
ChainResidue
CHOH2276
CHOH2277
CHOH2278
CARG14
CILE15
CTYR34
CHIS35
CASN36
CSER37
CALA61
CASP62
CLEU63
CTHR64
CASN93
CALA94
CSER95
CTHR126
CLEU159
CCYS160
CASP161
CTYR174
CLYS178
CPRO204
CGLY205
CVAL206
CSER207
CTMQ1270
CHOH2015
CHOH2156
CHOH2205
CHOH2270
CHOH2271
CHOH2272
CHOH2273

site_idAC4
Number of Residues33
DetailsBINDING SITE FOR RESIDUE NAP D 1269
ChainResidue
DARG14
DILE15
DTYR34
DHIS35
DASN36
DSER37
DALA61
DASP62
DLEU63
DTHR64
DASN93
DALA94
DSER95
DTHR126
DLEU159
DCYS160
DASP161
DTYR174
DLYS178
DPRO204
DGLY205
DVAL206
DSER207
DTMQ1270
DHOH2154
DHOH2202
DHOH2269
DHOH2270
DHOH2271
DHOH2272
DHOH2273
DHOH2274
DHOH2275

site_idAC5
Number of Residues13
DetailsBINDING SITE FOR RESIDUE TMQ A 1270
ChainResidue
AARG14
ASER95
APHE97
AASP161
ACYS168
ATYR174
ALEU208
APRO210
AMET213
ATRP221
ANAP1269
AHOH2309
AHOH2310

site_idAC6
Number of Residues9
DetailsBINDING SITE FOR RESIDUE TMQ B 1270
ChainResidue
BARG14
BSER95
BPHE97
BCYS168
BTYR174
BLEU208
BPRO210
BNAP1269
BHOH2320

site_idAC7
Number of Residues9
DetailsBINDING SITE FOR RESIDUE TMQ C 1270
ChainResidue
CSER95
CPHE97
CASP161
CTYR174
CLEU209
CPRO210
CMET213
CNAP1269
CHOH2279

site_idAC8
Number of Residues8
DetailsBINDING SITE FOR RESIDUE TMQ D 1270
ChainResidue
DSER95
DPHE97
DASP161
DTYR174
DLEU209
DMET213
DNAP1269
DHOH2276

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT B 1271
ChainResidue
BALA212
BMET213
BGLY214
BGLU215
BHOH2246
BHOH2321
BHOH2322

site_idBC1
Number of Residues6
DetailsBINDING SITE FOR RESIDUE ACT C 1271
ChainResidue
CGLN186
CGLY254
CILE256
CHOH2280
CHOH2281
DLYS258

site_idBC2
Number of Residues8
DetailsBINDING SITE FOR RESIDUE ACT A 1271
ChainResidue
AGLN186
AGLY254
AILE256
AHOH2311
AHOH2312
AHOH2313
BLYS258
BHOH2299

site_idBC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE ACT B 1272
ChainResidue
ALYS258
AHOH2290
BGLN186
BGLY254
BILE256
BHOH2323
BHOH2324
BHOH2325
BHOH2326

site_idBC4
Number of Residues7
DetailsBINDING SITE FOR RESIDUE ACT D 1271
ChainResidue
CLYS258
DGLN186
DGLY254
DILE256
DHOH2278
DHOH2279
DHOH2280

site_idBC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT C 1272
ChainResidue
BTYR34
BVAL58
CVAL57
CVAL58
CHOH2283

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

222036

PDB entries from 2024-07-03

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