4CKW

Structure of the Mycobacterium tuberculosis Type II Dehydroquinase N12S mutant (Crystal Form 1)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003855	molecular_function	3-dehydroquinate dehydratase activity
A	0005829	cellular_component	cytosol
A	0008652	biological_process	amino acid biosynthetic process
A	0009073	biological_process	aromatic amino acid family biosynthetic process
A	0009423	biological_process	chorismate biosynthetic process
A	0016829	molecular_function	lyase activity
A	0019631	biological_process	quinate catabolic process
B	0003855	molecular_function	3-dehydroquinate dehydratase activity
B	0005829	cellular_component	cytosol
B	0008652	biological_process	amino acid biosynthetic process
B	0009073	biological_process	aromatic amino acid family biosynthetic process
B	0009423	biological_process	chorismate biosynthetic process
B	0016829	molecular_function	lyase activity
B	0019631	biological_process	quinate catabolic process
C	0003855	molecular_function	3-dehydroquinate dehydratase activity
C	0005829	cellular_component	cytosol
C	0008652	biological_process	amino acid biosynthetic process
C	0009073	biological_process	aromatic amino acid family biosynthetic process
C	0009423	biological_process	chorismate biosynthetic process
C	0016829	molecular_function	lyase activity
C	0019631	biological_process	quinate catabolic process
D	0003855	molecular_function	3-dehydroquinate dehydratase activity
D	0005829	cellular_component	cytosol
D	0008652	biological_process	amino acid biosynthetic process
D	0009073	biological_process	aromatic amino acid family biosynthetic process
D	0009423	biological_process	chorismate biosynthetic process
D	0016829	molecular_function	lyase activity
D	0019631	biological_process	quinate catabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 1146

Chain	Residue
A	GLU142
A	HOH2011
A	HOH2013
A	HOH2014
C	LEU134

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	ACT_SITE: Proton acceptor

Chain	Residue	Details
B	TYR24
C	TYR24
D	TYR24

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site_id	SWS_FT_FI2
Number of Residues	3
Details	ACT_SITE: Proton donor

Chain	Residue	Details
B	HIS101
C	HIS101
D	HIS101

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site_id	SWS_FT_FI3
Number of Residues	15
Details	BINDING:

Chain	Residue	Details
B	ASN75
C	ARG112
D	ASN75
D	HIS81
D	ASP88
D	ILE102
D	ARG112
B	HIS81
B	ASP88
B	ILE102
B	ARG112
C	ASN75
C	HIS81
C	ASP88
C	ILE102

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site_id	SWS_FT_FI4
Number of Residues	3
Details	SITE: Transition state stabilizer

Chain	Residue	Details
B	ARG19
C	ARG19
D	ARG19

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