5JA3

Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta- NADPH and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-b iphenyl]-4-carboxylic acid (UCP1106)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004146	molecular_function	dihydrofolate reductase activity
A	0005829	cellular_component	cytosol
A	0006730	biological_process	one-carbon metabolic process
A	0016491	molecular_function	oxidoreductase activity
A	0044281	biological_process	small molecule metabolic process
A	0046452	biological_process	dihydrofolate metabolic process
A	0046654	biological_process	tetrahydrofolate biosynthetic process
A	0046655	biological_process	folic acid metabolic process
A	0050661	molecular_function	NADP binding
A	0070401	molecular_function	NADP+ binding
B	0004146	molecular_function	dihydrofolate reductase activity
B	0005829	cellular_component	cytosol
B	0006730	biological_process	one-carbon metabolic process
B	0016491	molecular_function	oxidoreductase activity
B	0044281	biological_process	small molecule metabolic process
B	0046452	biological_process	dihydrofolate metabolic process
B	0046654	biological_process	tetrahydrofolate biosynthetic process
B	0046655	biological_process	folic acid metabolic process
B	0050661	molecular_function	NADP binding
B	0070401	molecular_function	NADP+ binding
C	0004146	molecular_function	dihydrofolate reductase activity
C	0005829	cellular_component	cytosol
C	0006730	biological_process	one-carbon metabolic process
C	0016491	molecular_function	oxidoreductase activity
C	0044281	biological_process	small molecule metabolic process
C	0046452	biological_process	dihydrofolate metabolic process
C	0046654	biological_process	tetrahydrofolate biosynthetic process
C	0046655	biological_process	folic acid metabolic process
C	0050661	molecular_function	NADP binding
C	0070401	molecular_function	NADP+ binding
D	0004146	molecular_function	dihydrofolate reductase activity
D	0005829	cellular_component	cytosol
D	0006730	biological_process	one-carbon metabolic process
D	0016491	molecular_function	oxidoreductase activity
D	0044281	biological_process	small molecule metabolic process
D	0046452	biological_process	dihydrofolate metabolic process
D	0046654	biological_process	tetrahydrofolate biosynthetic process
D	0046655	biological_process	folic acid metabolic process
D	0050661	molecular_function	NADP binding
D	0070401	molecular_function	NADP+ binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	26
Details	binding site for residue NDP A 201

Chain	Residue
A	TRP6
A	ARG45
A	THR46
A	LEU65
A	SER66
A	ARG67
A	GLN68
A	GLY80
A	ILE94
A	GLY95
A	GLY96
A	ALA7
A	GLY97
A	GLN98
A	VAL99
A	TYR100
A	LEU102
A	ALA126
A	U06202
A	ILE14
A	GLY15
A	GLY18
A	ASP19
A	ILE20
A	GLY43
A	ARG44

---

site_id	AC2
Number of Residues	18
Details	binding site for residue U06 A 202

Chain	Residue
A	ILE5
A	TRP6
A	ALA7
A	ASP19
A	ILE20
A	ASP27
A	GLN28
A	PHE31
A	ARG32
A	SER49
A	LEU50
A	PRO51
A	LEU57
A	ARG60
A	ILE94
A	TYR100
A	NDP201
A	HOH307

---

site_id	AC3
Number of Residues	25
Details	binding site for residue NDP B 201

Chain	Residue
B	TRP6
B	ALA7
B	ILE14
B	GLY15
B	GLY18
B	ASP19
B	ILE20
B	GLY43
B	ARG44
B	ARG45
B	THR46
B	LEU65
B	SER66
B	ARG67
B	GLN68
B	GLY95
B	GLY96
B	GLY97
B	GLN98
B	VAL99
B	TYR100
B	LEU102
B	ALA126
B	U06202
B	HOH308

---

site_id	AC4
Number of Residues	14
Details	binding site for residue U06 B 202

Chain	Residue
B	ILE5
B	TRP6
B	ILE20
B	ASP27
B	GLN28
B	PHE31
B	ARG32
B	SER49
B	PRO51
B	ILE94
B	GLY95
B	TYR100
B	NDP201
B	HOH304

---

site_id	AC5
Number of Residues	25
Details	binding site for residue NDP C 201

Chain	Residue
C	ILE94
C	GLY96
C	GLY97
C	GLN98
C	VAL99
C	TYR100
C	LEU102
C	U06202
D	SER147
C	TRP6
C	ALA7
C	ILE14
C	GLY15
C	GLY18
C	ASP19
C	ILE20
C	GLY43
C	ARG44
C	ARG45
C	THR46
C	SER49
C	LEU65
C	SER66
C	ARG67
C	GLY80

---

site_id	AC6
Number of Residues	15
Details	binding site for residue U06 C 202

Chain	Residue
C	ILE5
C	TRP6
C	ALA7
C	ASP19
C	ILE20
C	ASP27
C	GLN28
C	PHE31
C	ARG32
C	SER49
C	LEU57
C	ARG60
C	ILE94
C	TYR100
C	NDP201

---

site_id	AC7
Number of Residues	23
Details	binding site for residue NDP D 201

Chain	Residue
D	TRP6
D	ALA7
D	ILE14
D	GLY18
D	ASP19
D	ILE20
D	GLY43
D	ARG44
D	ARG45
D	THR46
D	LEU65
D	SER66
D	ARG67
D	ILE94
D	GLY95
D	GLY96
D	GLY97
D	GLN98
D	VAL99
D	TYR100
D	LEU102
D	ALA126
D	U06202

---

site_id	AC8
Number of Residues	18
Details	binding site for residue U06 D 202

Chain	Residue
D	ILE5
D	TRP6
D	ALA7
D	ASP19
D	ILE20
D	ASP27
D	GLN28
D	PHE31
D	ARG32
D	SER49
D	LEU50
D	PRO51
D	LEU57
D	ARG60
D	ILE94
D	TYR100
D	NDP201
D	HOH307

---

Functional Information from PROSITE/UniProt

site_id	PS00075
Number of Residues	23
Details	DHFR_1 Dihydrofolate reductase (DHFR) domain signature. VIGrggdIPWrlpe.DqahFreiT

Chain	Residue	Details
A	VAL13-THR35

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	100
Details	Binding site: {}

Chain

Residue

Details

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