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1E7W

One active site, two modes of reduction correlate the mechanism of leishmania pteridine reductase with pterin metabolism and antifolate drug resistance in trpanosomes

Functional Information from GO Data
ChainGOidnamespacecontents
A0004155molecular_function6,7-dihydropteridine reductase activity
A0005829cellular_componentcytosol
A0006729biological_processtetrahydrobiopterin biosynthetic process
A0016491molecular_functionoxidoreductase activity
A0031427biological_processresponse to methotrexate
A0047040molecular_functionpteridine reductase activity
B0004155molecular_function6,7-dihydropteridine reductase activity
B0005829cellular_componentcytosol
B0006729biological_processtetrahydrobiopterin biosynthetic process
B0016491molecular_functionoxidoreductase activity
B0031427biological_processresponse to methotrexate
B0047040molecular_functionpteridine reductase activity
Functional Information from PDB Data
site_idAC1
Number of Residues32
DetailsBINDING SITE FOR RESIDUE NDP A 300
ChainResidue
AARG17
ALEU66
AASN109
AALA110
ASER111
AASP142
AMET179
AVAL180
AASP181
ATYR194
ALYS198
ALEU18
APRO224
AGLY225
ALEU226
ASER227
AMTX301
AHOH2005
AHOH2008
AHOH2131
AHOH2253
AHOH2254
AHIS36
AHOH2255
AHOH2256
AHOH2257
ATYR37
AHIS38
AARG39
ASER40
AALA64
AASP65

site_idAC2
Number of Residues20
DetailsBINDING SITE FOR RESIDUE MTX A 301
ChainResidue
AARG17
ASER111
APHE113
APRO115
ALEU188
ATYR191
ATYR194
ALEU226
ALEU229
AASP232
AMET233
ANDP300
AEDO1290
AHOH2192
AHOH2198
AHOH2258
AHOH2259
AHOH2260
AHOH2261
AHOH2263

site_idAC3
Number of Residues7
DetailsBINDING SITE FOR RESIDUE EDO A 1289
ChainResidue
AGLY199
AGLU202
AARG206
AHOH2264
BGLY199
BGLU202
BARG206

site_idAC4
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EDO A 1290
ChainResidue
APHE113
AASP181
ATYR194
AMTX301
AHOH2190
AHOH2265
BARG287
BHOH2198

site_idAC5
Number of Residues31
DetailsBINDING SITE FOR RESIDUE NDP B 300
ChainResidue
BARG17
BLEU18
BHIS36
BTYR37
BHIS38
BARG39
BSER40
BALA64
BASP65
BLEU66
BASN109
BALA110
BSER111
BASP142
BMET179
BVAL180
BASP181
BTYR194
BLYS198
BPRO224
BGLY225
BSER227
BMTX301
BHOH2006
BHOH2135
BHOH2203
BHOH2204
BHOH2205
BHOH2206
BHOH2207
BHOH2208

site_idAC6
Number of Residues15
DetailsBINDING SITE FOR RESIDUE MTX B 301
ChainResidue
BSER111
BPHE113
BPRO115
BLEU188
BLEU189
BTYR191
BTYR194
BLEU226
BHIS241
BNDP300
BEDO1289
BHOH2130
BHOH2209
BHOH2210
BARG17

site_idAC7
Number of Residues5
DetailsBINDING SITE FOR RESIDUE EDO B 1289
ChainResidue
AARG287
BASP181
BMTX301
BHOH2134
BHOH2150

Functional Information from PROSITE/UniProt
site_idPS00061
Number of Residues29
DetailsADH_SHORT Short-chain dehydrogenases/reductases family signature. DamtnqpllgYtiYTMAKGALeGLTrSAA
ChainResidueDetails
AASP181-ALA209

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: Proton acceptor
ChainResidueDetails
ATYR194
BTYR194

site_idSWS_FT_FI2
Number of Residues2
DetailsBINDING: BINDING => ECO:0000250
ChainResidueDetails
AARG17
BARG17

site_idSWS_FT_FI3
Number of Residues2
DetailsBINDING: BINDING => ECO:0000269|PubMed:11373620
ChainResidueDetails
ASER175
BSER175

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PDB entries from 2024-06-12

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