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2X9G

High resolution structure of TbPTR1 in complex with Pemetrexed

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
AARG14
ATHR64
AASN93
AALA94
ASER95
ATHR126
ALEU159
ACYS160
ATYR174
ALYS178
APRO204
AILE15
AGLY205
AVAL206
ASER207
ALEU208
ALYA1270
AHOH2055
AHOH2180
AHOH2246
AHOH2334
AHOH2335
ATYR34
AHOH2336
AHOH2337
AHOH2338
AHOH2340
AHOH2341
AHOH2344
AHIS35
AASN36
ASER37
AALA61
AASP62
ALEU63

site_idAC2
Number of Residues16
DetailsBINDING SITE FOR RESIDUE LYA A 1270
ChainResidue
AARG14
ASER95
APHE97
APRO99
ACYS168
AMET169
APHE171
ATYR174
APRO210
AMET213
ATRP221
ANAP1269
AHOH2268
AHOH2343
AHOH2344
DHIS267

site_idAC3
Number of Residues36
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
BVAL206
BSER207
BLEU208
BLYA1270
BHOH2201
BHOH2264
BHOH2363
BHOH2370
BHOH2371
BHOH2372
BHOH2374
BHOH2375
BHOH2376
BHOH2377
BHOH2378
BHOH2379

site_idAC4
Number of Residues20
DetailsBINDING SITE FOR RESIDUE LYA B 1270
ChainResidue
BHOH2363
BHOH2364
BHOH2365
BHOH2366
BHOH2367
BHOH2368
BHOH2369
CHIS267
BARG14
BSER95
BPHE97
BPRO99
BCYS168
BMET169
BTYR174
BMET213
BTRP221
BNAP1269
BHOH2288
BHOH2362

site_idAC5
Number of Residues5
DetailsBINDING SITE FOR RESIDUE ACT B 1271
ChainResidue
BMET213
BGLY214
BGLU215
BHOH2291
BHOH2380

site_idAC6
Number of Residues36
DetailsBINDING SITE FOR RESIDUE NAP C 1269
ChainResidue
CARG14
CILE15
CTYR34
CHIS35
CASN36
CSER37
CALA61
CASP62
CLEU63
CTHR64
CASN93
CALA94
CSER95
CTHR126
CLEU159
CCYS160
CTYR174
CLYS178
CPRO204
CGLY205
CVAL206
CSER207
CLEU208
CLYA1270
CHOH2070
CHOH2240
CHOH2323
CHOH2324
CHOH2325
CHOH2327
CHOH2328
CHOH2329
CHOH2330
CHOH2331
CHOH2332
CHOH2333

site_idAC7
Number of Residues13
DetailsBINDING SITE FOR RESIDUE LYA C 1270
ChainResidue
BHIS267
CARG14
CSER95
CPHE97
CCYS168
CMET169
CPHE171
CTYR174
CPRO210
CMET213
CTRP221
CNAP1269
CHOH2333

site_idAC8
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
DTYR174
DLYS178
DPRO204
DGLY205
DVAL206
DSER207
DLEU208
DLYA1270
DHOH2052
DHOH2165
DHOH2219
DHOH2306
DHOH2307
DHOH2308
DHOH2309
DHOH2312
DHOH2314

site_idAC9
Number of Residues14
DetailsBINDING SITE FOR RESIDUE LYA D 1270
ChainResidue
AHIS267
DARG14
DSER95
DPHE97
DPRO99
DCYS168
DMET169
DPHE171
DTYR174
DPRO210
DMET213
DTRP221
DNAP1269
DHOH2314

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

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PDB entries from 2024-07-24

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