3CWU

Crystal Structure of an AlkA Host/Guest Complex 2'-fluoro-2'-deoxy-1,N6-ethenoadenine:Thymine Base Pair

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003824	molecular_function	catalytic activity
A	0003905	molecular_function	alkylbase DNA N-glycosylase activity
A	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
A	0006281	biological_process	DNA repair
A	0006284	biological_process	base-excision repair
A	0006285	biological_process	base-excision repair, AP site formation
A	0006307	biological_process	DNA alkylation repair
A	0006950	biological_process	response to stress
A	0006974	biological_process	DNA damage response
A	0008725	molecular_function	DNA-3-methyladenine glycosylase activity
A	0016787	molecular_function	hydrolase activity
A	0032131	molecular_function	alkylated DNA binding
A	0032993	cellular_component	protein-DNA complex
A	0043916	molecular_function	DNA-7-methylguanine glycosylase activity
A	0052821	molecular_function	DNA-7-methyladenine glycosylase activity
A	0052822	molecular_function	DNA-3-methylguanine glycosylase activity
B	0003824	molecular_function	catalytic activity
B	0003905	molecular_function	alkylbase DNA N-glycosylase activity
B	0005515	molecular_function	protein binding
B	0005737	cellular_component	cytoplasm
B	0006281	biological_process	DNA repair
B	0006284	biological_process	base-excision repair
B	0006285	biological_process	base-excision repair, AP site formation
B	0006307	biological_process	DNA alkylation repair
B	0006950	biological_process	response to stress
B	0006974	biological_process	DNA damage response
B	0008725	molecular_function	DNA-3-methyladenine glycosylase activity
B	0016787	molecular_function	hydrolase activity
B	0032131	molecular_function	alkylated DNA binding
B	0032993	cellular_component	protein-DNA complex
B	0043916	molecular_function	DNA-7-methylguanine glycosylase activity
B	0052821	molecular_function	DNA-7-methyladenine glycosylase activity
B	0052822	molecular_function	DNA-3-methylguanine glycosylase activity
C	0003824	molecular_function	catalytic activity
C	0003905	molecular_function	alkylbase DNA N-glycosylase activity
C	0005515	molecular_function	protein binding
C	0005737	cellular_component	cytoplasm
C	0006281	biological_process	DNA repair
C	0006284	biological_process	base-excision repair
C	0006285	biological_process	base-excision repair, AP site formation
C	0006307	biological_process	DNA alkylation repair
C	0006950	biological_process	response to stress
C	0006974	biological_process	DNA damage response
C	0008725	molecular_function	DNA-3-methyladenine glycosylase activity
C	0016787	molecular_function	hydrolase activity
C	0032131	molecular_function	alkylated DNA binding
C	0032993	cellular_component	protein-DNA complex
C	0043916	molecular_function	DNA-7-methylguanine glycosylase activity
C	0052821	molecular_function	DNA-7-methyladenine glycosylase activity
C	0052822	molecular_function	DNA-3-methylguanine glycosylase activity
D	0003824	molecular_function	catalytic activity
D	0003905	molecular_function	alkylbase DNA N-glycosylase activity
D	0005515	molecular_function	protein binding
D	0005737	cellular_component	cytoplasm
D	0006281	biological_process	DNA repair
D	0006284	biological_process	base-excision repair
D	0006285	biological_process	base-excision repair, AP site formation
D	0006307	biological_process	DNA alkylation repair
D	0006950	biological_process	response to stress
D	0006974	biological_process	DNA damage response
D	0008725	molecular_function	DNA-3-methyladenine glycosylase activity
D	0016787	molecular_function	hydrolase activity
D	0032131	molecular_function	alkylated DNA binding
D	0032993	cellular_component	protein-DNA complex
D	0043916	molecular_function	DNA-7-methylguanine glycosylase activity
D	0052821	molecular_function	DNA-7-methyladenine glycosylase activity
D	0052822	molecular_function	DNA-3-methylguanine glycosylase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE 2FE E 8

Chain	Residue
B	THR249
E	DA7
E	DT9
F	DA17
F	DT18
F	DT19

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site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE 2FE G 8

Chain	Residue
H	DA17
H	DT18
C	THR249
G	DA7
G	DT9

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Functional Information from PROSITE/UniProt

site_id	PS00516
Number of Residues	25
Details	ALKYLBASE_DNA_GLYCOS Alkylbase DNA glycosidases alkA family signature. GIGrWTAnYFaLrgwqakdvFlpDD

Chain	Residue	Details
A	GLY214-ASP238

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Proton acceptor

Chain	Residue	Details
A	ASP238
B	ASP238
C	ASP238
D	ASP238

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site_id	SWS_FT_FI2
Number of Residues	4
Details	SITE: Determinant for substrate specificity and/or activity

Chain	Residue	Details
A	TRP218
B	TRP218
C	TRP218
D	TRP218

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	3
Details	M-CSA 313

Chain	Residue	Details
A	TRP218	electrostatic stabiliser, van der waals interaction
A	TYR222	electrostatic stabiliser, van der waals interaction
A	ASP238	attractive charge-charge interaction, electrostatic stabiliser, promote heterolysis

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site_id	MCSA2
Number of Residues	3
Details	M-CSA 313

Chain	Residue	Details
B	TRP218	electrostatic stabiliser, van der waals interaction
B	TYR222	electrostatic stabiliser, van der waals interaction
B	ASP238	attractive charge-charge interaction, electrostatic stabiliser, promote heterolysis

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site_id	MCSA3
Number of Residues	3
Details	M-CSA 313

Chain	Residue	Details
C	TRP218	electrostatic stabiliser, van der waals interaction
C	TYR222	electrostatic stabiliser, van der waals interaction
C	ASP238	attractive charge-charge interaction, electrostatic stabiliser, promote heterolysis

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site_id	MCSA4
Number of Residues	3
Details	M-CSA 313

Chain	Residue	Details
D	TRP218	electrostatic stabiliser, van der waals interaction
D	TYR222	electrostatic stabiliser, van der waals interaction
D	ASP238	attractive charge-charge interaction, electrostatic stabiliser, promote heterolysis

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