1XAG

CRYSTAL STRUCTURE OF STAPHLYOCOCCUS AUREUS 3-DEHYDROQUINATE SYNTHASE (DHQS) IN COMPLEX WITH ZN2+, NAD+ AND CARBAPHOSPHONATE

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0003856	molecular_function	3-dehydroquinate synthase activity
A	0005737	cellular_component	cytoplasm
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	0016838	molecular_function	carbon-oxygen lyase activity, acting on phosphates
A	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN A 601

Chain	Residue
A	GLU178
A	HIS242
A	HIS256
A	NAD400
A	CRB500

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site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 602

Chain	Residue
A	TYR7
A	PRO8
A	ARG153

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site_id	AC3
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL A 603

Chain	Residue
A	HOH717

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site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 606

Chain	Residue
A	HIS87
A	ASP317
A	HOH660

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site_id	AC5
Number of Residues	31
Details	BINDING SITE FOR RESIDUE NAD A 400

Chain	Residue
A	ASP39
A	TYR41
A	VAL42
A	TYR45
A	GLY67
A	GLU68
A	LYS71
A	GLY99
A	GLY100
A	ALA101
A	ASP104
A	THR124
A	THR125
A	LEU127
A	ASP130
A	SER131
A	LYS136
A	LYS145
A	ASN146
A	PHE163
A	THR166
A	LEU167
A	GLN171
A	LYS221
A	HIS256
A	CRB500
A	ZN601
A	HOH619
A	HOH620
A	HOH667
A	HOH700

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site_id	AC6
Number of Residues	17
Details	BINDING SITE FOR RESIDUE CRB A 500

Chain	Residue
A	ARG115
A	ASP130
A	LYS136
A	ASN146
A	GLU178
A	LYS181
A	LYS221
A	ARG235
A	LEU238
A	ASN239
A	HIS242
A	HIS246
A	HIS256
A	LYS314
A	NAD400
A	ZN601
A	HOH620

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269|PubMed:15465043, ECO:0007744|PDB:1XAH, ECO:0007744|PDB:1XAJ, ECO:0007744|PDB:1XAL

Chain	Residue	Details
A	ASP39
A	GLU68

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site_id	SWS_FT_FI2
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:15465043, ECO:0007744|PDB:1XAH, ECO:0007744|PDB:1XAL

Chain	Residue	Details
A	TYR45

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site_id	SWS_FT_FI3
Number of Residues	5
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00110, ECO:0000269|PubMed:15465043, ECO:0007744|PDB:1XAH, ECO:0007744|PDB:1XAJ, ECO:0007744|PDB:1XAL

Chain	Residue	Details
A	GLY100
A	THR124
A	LYS136
A	LYS145
A	PHE163

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site_id	SWS_FT_FI4
Number of Residues	3
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00110, ECO:0000269|PubMed:15465043, ECO:0007744|PDB:1XAI

Chain	Residue	Details
A	GLU178
A	HIS242
A	HIS256

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	1
Details	Annotated By Reference To The Literature 1dqs

Chain	Residue	Details
A	HIS246

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