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5U27

Crystal Structure of Mycobacterium tuberculosis Dihydrofolate Reductase Bound to NADP and p65 Inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0004146molecular_functiondihydrofolate reductase activity
A0005829cellular_componentcytosol
A0006730biological_processone-carbon metabolic process
A0016491molecular_functionoxidoreductase activity
A0046452biological_processdihydrofolate metabolic process
A0046654biological_processtetrahydrofolate biosynthetic process
A0046655biological_processfolic acid metabolic process
A0050661molecular_functionNADP binding
A0070401molecular_functionNADP+ binding
Functional Information from PDB Data
site_idAC1
Number of Residues35
Detailsbinding site for residue NAP A 201
ChainResidue
ATRP6
AARG44
AARG45
ATHR46
ALEU65
ASER66
AARG67
AGLN68
AGLY80
AILE94
AGLY95
AALA7
AGLY96
AGLY97
AGLN98
AVAL99
ATYR100
ALEU102
AP65205
AHOH323
AHOH325
AHOH338
AILE14
AHOH348
AHOH371
AHOH373
AHOH380
AHOH386
AHOH395
AGLY15
AARG16
AGLY18
AASP19
AILE20
AGLY43

site_idAC2
Number of Residues7
Detailsbinding site for residue EDO A 202
ChainResidue
AILE20
ATRP22
AARG23
ALEU24
AP65205
AHOH303
AHOH321

site_idAC3
Number of Residues5
Detailsbinding site for residue EDO A 203
ChainResidue
AGLN28
APHE31
AARG32
ALEU57
AARG60

site_idAC4
Number of Residues4
Detailsbinding site for residue EDO A 204
ChainResidue
APRO25
AALA29
AARG32
AVAL130

site_idAC5
Number of Residues16
Detailsbinding site for residue P65 A 205
ChainResidue
AILE5
ATRP6
AASP19
AILE20
AARG23
AASP27
AGLN28
APHE31
ALEU50
APRO51
AILE94
ATYR100
ATHR113
ANAP201
AEDO202
AHOH359

Functional Information from PROSITE/UniProt
site_idPS00075
Number of Residues23
DetailsDHFR_1 Dihydrofolate reductase (DHFR) domain signature. VIGrggdIPWrlpe.DqahFreiT
ChainResidueDetails
AVAL13-THR35

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues12
DetailsBINDING:
ChainResidueDetails
AILE5
AILE94
ATYR100
ATHR113
ATRP6
AILE14
AASP27
AARG32
AGLY43
AARG60
ALEU65
AGLY80

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PDB entries from 2024-07-24

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