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2CIG

Dihydrofolate reductase from Mycobacterium tuberculosis inhibited by the acyclic 4R isomer of INH-NADP a derivative of the prodrug isoniazid.

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 Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 300
ChainResidue
AARG44
AARG45

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 301
ChainResidue
AARG121
AARG152
AHOH2137

site_idAC3
Number of Residues37
DetailsBINDING SITE FOR RESIDUE 1DG A 200
ChainResidue
AGLY15
AARG16
AGLY18
AASP19
AILE20
APHE31
AGLY43
AARG44
AARG45
AVAL46
ALEU65
ASER66
AARG67
AGLN68
AGLY80
AILE94
AGLY96
AGLY97
AGLN98
AVAL99
ATYR100
ALEU102
AALA126
AGOL201
AGOL202
AGOL204
AHOH2039
AHOH2130
AHOH2131
AHOH2132
AHOH2133
AHOH2134
AHOH2135
AILE5
ATRP6
AALA7
AILE14

site_idAC4
Number of Residues5
DetailsBINDING SITE FOR RESIDUE GOL A 201
ChainResidue
AGLY15
AARG16
AGLY17
AGLY18
A1DG200

site_idAC5
Number of Residues10
DetailsBINDING SITE FOR RESIDUE GOL A 202
ChainResidue
AARG45
AGLN98
AGLY124
AASP125
AALA126
AGLY148
A1DG200
AHOH2030
AHOH2079
AHOH2136

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 203
ChainResidue
AGLN8
ATHR10
AGLU114
ATYR156

site_idAC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE GOL A 204
ChainResidue
ALEU50
A1DG200

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
AALA7
AGLY96
ALEU102
AVAL115
AGLN8
AARG16
AALA29
AILE34
AARG45
AASN62
AARG67
ALEU82

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 1dhf
ChainResidueDetails
AILE20
AASP27

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PDB entries from 2024-10-30

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