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1MXF

Crystal Structure of Inhibitor Complex of Putative Pteridine Reductase 2 (PTR2) from Trypanosoma cruzi

Functional Information from GO Data
ChainGOidnamespacecontents
A0000166molecular_functionnucleotide binding
A0016491molecular_functionoxidoreductase activity
B0000166molecular_functionnucleotide binding
B0016491molecular_functionoxidoreductase activity
C0000166molecular_functionnucleotide binding
C0016491molecular_functionoxidoreductase activity
D0000166molecular_functionnucleotide binding
D0016491molecular_functionoxidoreductase activity
Functional Information from PDB Data
site_idAC1
Number of Residues26
DetailsBINDING SITE FOR RESIDUE NDP A 1277
ChainResidue
AARG21
ASER72
AASN101
AALA102
ASER103
AGLU131
ALEU167
ACYS168
ATYR182
ALYS186
APRO212
AARG22
AGLY213
ASER215
ALEU216
AMTX1278
AHOH1291
AHOH1294
AHOH1336
AILE23
AARG43
AHIS44
ASER45
AGLY69
AASP70
ALEU71

site_idAC2
Number of Residues13
DetailsBINDING SITE FOR RESIDUE MTX A 1278
ChainResidue
AARG22
ASER103
ATYR105
AASP169
ALEU176
ATYR182
ALEU214
ALEU216
AMSE221
ATHR225
ATYR229
ANDP1277
AHOH1331

site_idAC3
Number of Residues28
DetailsBINDING SITE FOR RESIDUE NDP B 2277
ChainResidue
BARG22
BILE23
BTYR42
BARG43
BHIS44
BSER45
BGLY69
BASP70
BLEU71
BSER72
BASN101
BALA102
BSER103
BALA104
BLEU167
BCYS168
BASP169
BTYR182
BLYS186
BPRO212
BGLY213
BSER215
BLEU216
BMTX2278
BHOH2286
BHOH2292
BHOH2293
BHOH2336

site_idAC4
Number of Residues13
DetailsBINDING SITE FOR RESIDUE MTX B 2278
ChainResidue
BARG22
BSER103
BTYR105
BASP169
BLEU176
BPHE179
BTYR182
BLEU214
BLEU216
BMSE221
BTHR225
BTYR229
BNDP2277

site_idAC5
Number of Residues28
DetailsBINDING SITE FOR RESIDUE NDP C 3277
ChainResidue
CSER215
CLEU216
CMTX3278
CHOH3289
CHOH3290
CHOH3291
CHOH3323
CHOH3349
CHOH3373
CARG21
CARG22
CILE23
CARG43
CHIS44
CSER45
CGLY69
CASP70
CLEU71
CSER72
CASN101
CALA102
CSER103
CLEU167
CCYS168
CTYR182
CLYS186
CPRO212
CGLY213

site_idAC6
Number of Residues13
DetailsBINDING SITE FOR RESIDUE MTX C 3278
ChainResidue
CARG22
CSER103
CTYR105
CASP169
CLEU176
CTYR182
CLEU214
CLEU216
CTHR225
CTYR229
CNDP3277
CHOH3326
CHOH3370

site_idAC7
Number of Residues31
DetailsBINDING SITE FOR RESIDUE NDP D 4277
ChainResidue
DARG21
DARG22
DILE23
DTYR42
DARG43
DHIS44
DSER45
DGLY69
DASP70
DLEU71
DSER72
DASN101
DALA102
DSER103
DGLU131
DLEU167
DCYS168
DTYR182
DLYS186
DPRO212
DGLY213
DSER215
DLEU216
DMTX4278
DHOH4286
DHOH4287
DHOH4293
DHOH4317
DHOH4318
DHOH4345
DHOH4381

site_idAC8
Number of Residues15
DetailsBINDING SITE FOR RESIDUE MTX D 4278
ChainResidue
DARG22
DSER103
DTYR105
DLEU176
DPHE179
DTYR182
DLEU214
DLEU216
DMSE221
DTHR225
DTYR229
DNDP4277
DHOH4313
DHOH4367
DHOH4371

Functional Information from PROSITE/UniProt
site_idPS00061
Number of Residues29
DetailsADH_SHORT Short-chain dehydrogenases/reductases family signature. DamtdlplpgFcvYTMAKHALgGLTrAAA
ChainResidueDetails
AASP169-ALA197

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1qsg
ChainResidueDetails
APHE179
ALYS186

site_idCSA2
Number of Residues2
DetailsAnnotated By Reference To The Literature 1qsg
ChainResidueDetails
BPHE179
BLYS186

site_idCSA3
Number of Residues2
DetailsAnnotated By Reference To The Literature 1qsg
ChainResidueDetails
CPHE179
CLYS186

site_idCSA4
Number of Residues2
DetailsAnnotated By Reference To The Literature 1qsg
ChainResidueDetails
DPHE179
DLYS186

site_idCSA5
Number of Residues2
DetailsAnnotated By Reference To The Literature 1qsg
ChainResidueDetails
ALYS186
ATYR182

site_idCSA6
Number of Residues2
DetailsAnnotated By Reference To The Literature 1qsg
ChainResidueDetails
BLYS186
BTYR182

site_idCSA7
Number of Residues2
DetailsAnnotated By Reference To The Literature 1qsg
ChainResidueDetails
CLYS186
CTYR182

site_idCSA8
Number of Residues2
DetailsAnnotated By Reference To The Literature 1qsg
ChainResidueDetails
DLYS186
DTYR182

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PDB entries from 2024-09-04

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