1DJ9

CRYSTAL STRUCTURE OF 8-AMINO-7-OXONANOATE SYNTHASE (OR 7-KETO-8AMINIPELARGONATE OR KAPA SYNTHASE) COMPLEXED WITH PLP AND THE PRODUCT 8(S)-AMINO-7-OXONANONOATE (OR KAPA). THE ENZYME OF BIOTIN BIOSYNTHETIC PATHWAY.

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0008710	molecular_function	8-amino-7-oxononanoate synthase activity
A	0009058	biological_process	biosynthetic process
A	0009102	biological_process	biotin biosynthetic process
A	0016740	molecular_function	transferase activity
A	0030170	molecular_function	pyridoxal phosphate binding
A	0042803	molecular_function	protein homodimerization activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 401

Chain	Residue
A	LEU147
A	ARG148
A	ARG149
A	HOH1203
A	HOH1245

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site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 402

Chain	Residue
A	HOH1238
A	ARG22
A	ARG23
A	ARG101
A	LEU256

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site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG A 500

Chain	Residue
A	SER179
A	KAM400
A	HOH1069
A	HOH1092

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site_id	AC4
Number of Residues	25
Details	BINDING SITE FOR RESIDUE KAM A 400

Chain	Residue
A	ARG21
A	SER76
A	SER107
A	GLY108
A	PHE109
A	HIS133
A	GLU175
A	SER179
A	ASP204
A	ALA206
A	HIS207
A	THR233
A	LYS236
A	ILE263
A	TYR264
A	SER265
A	THR266
A	ILE348
A	THR352
A	MG500
A	HOH1004
A	HOH1013
A	HOH1092
A	HOH1161
A	HOH1237

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Functional Information from PROSITE/UniProt

site_id	PS00599
Number of Residues	10
Details	AA_TRANSFER_CLASS_2 Aminotransferases class-II pyridoxal-phosphate attachment site. TFGKGFGVSG

Chain	Residue	Details
A	THR233-GLY242

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10642176","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10642176","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16557306","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI3
Number of Residues	1
Details	Modified residue: {"description":"N6-(pyridoxal phosphate)lysine","evidences":[{"source":"PubMed","id":"10642176","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16557306","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	Annotated By Reference To The Literature 1bs0

Chain	Residue	Details
A	ASP204
A	GLU175
A	LYS236
A	HIS133

---

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1bs0

Chain	Residue	Details
A	HIS207
A	PHE238

---

site_id	CSA3
Number of Residues	2
Details	Annotated By Reference To The Literature 1bs0

Chain	Residue	Details
A	HIS207
A	LYS236

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site_id	MCSA1
Number of Residues	7
Details	M-CSA 430

Chain	Residue	Details
A	ASN47	electrostatic stabiliser
A	HIS133	electrostatic stabiliser, proton shuttle (general acid/base)
A	GLU175	electrostatic stabiliser
A	SER179	modifies pKa
A	ASP204	electrostatic stabiliser
A	HIS207	electrostatic stabiliser, proton shuttle (general acid/base)
A	LYS236	covalent catalysis, proton shuttle (general acid/base)

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