1QAK

THE ACTIVE SITE BASE CONTROLS COFACTOR REACTIVITY IN ESCHERICHIA COLI AMINE OXIDASE : X-RAY CRYSTALLOGRAPHIC STUDIES WITH MUTATIONAL VARIANTS

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005507	molecular_function	copper ion binding
A	0005509	molecular_function	calcium ion binding
A	0006559	biological_process	L-phenylalanine catabolic process
A	0008131	molecular_function	primary methylamine oxidase activity
A	0009308	biological_process	amine metabolic process
A	0016491	molecular_function	oxidoreductase activity
A	0016641	molecular_function	oxidoreductase activity, acting on the CH-NH2 group of donors, oxygen as acceptor
A	0019607	biological_process	phenylethylamine catabolic process
A	0042597	cellular_component	periplasmic space
A	0046872	molecular_function	metal ion binding
A	0048038	molecular_function	quinone binding
B	0005507	molecular_function	copper ion binding
B	0005509	molecular_function	calcium ion binding
B	0006559	biological_process	L-phenylalanine catabolic process
B	0008131	molecular_function	primary methylamine oxidase activity
B	0009308	biological_process	amine metabolic process
B	0016491	molecular_function	oxidoreductase activity
B	0016641	molecular_function	oxidoreductase activity, acting on the CH-NH2 group of donors, oxygen as acceptor
B	0019607	biological_process	phenylethylamine catabolic process
B	0042597	cellular_component	periplasmic space
B	0046872	molecular_function	metal ion binding
B	0048038	molecular_function	quinone binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CU A 801

Chain	Residue
A	TPQ466
A	HIS524
A	HIS526
A	HIS689
A	HOH1574

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CA A 802

Chain	Residue
A	ASP678
A	ALA679
A	HOH949
A	LYS133
A	ASP533
A	LEU534
A	ASP535

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA A 803

Chain	Residue
A	GLU573
A	TYR667
A	ASP670
A	GLU672
A	HOH975

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CU B 801

Chain	Residue
B	TPQ466
B	HIS524
B	HIS526
B	HIS689

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE CA B 802

Chain	Residue
B	LYS133
B	ASP533
B	LEU534
B	ASP535
B	ASP678
B	ALA679
B	HOH970

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA B 803

Chain	Residue
B	GLU573
B	TYR667
B	ASP670
B	GLU672
B	HOH999

---

Functional Information from PROSITE/UniProt

site_id	PS01164
Number of Residues	14
Details	COPPER_AMINE_OXID_1 Copper amine oxidase topaquinone signature. LVVrwisTvgNYDY

Chain	Residue	Details
A	LEU455-TYR468

---

site_id	PS01165
Number of Residues	14
Details	COPPER_AMINE_OXID_2 Copper amine oxidase copper-binding site signature. TtGttHVaraEEwP

Chain	Residue	Details
A	THR684-PRO697

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	42
Details	Region: {"description":"Disordered","evidences":[{"source":"SAM","id":"MobiDB-lite","evidenceCode":"ECO:0000256"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"10387067","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9048544","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1OAC","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Active site: {"description":"Schiff-base intermediate with substrate; via topaquinone","evidences":[{"source":"PubMed","id":"10387067","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1OAC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QAK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WGQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WO0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WOF","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	22
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10576737","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1D6U","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1D6Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1D6Z","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10387067","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10576737","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9048544","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1D6U","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1D6Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1D6Z","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DYU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1JRQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1LVN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1OAC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QAF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QAK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QAL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1SPU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2W0Q","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WGQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WO0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WOF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WOH","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"UniProtKB","id":"Q43077","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10387067","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10576737","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9048544","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1D6U","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1D6Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1D6Z","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DYU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1JRQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1LVN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1OAC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QAF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QAK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QAL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1SPU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2W0Q","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WGQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WOH","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10387067","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10576737","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9048544","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1D6U","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1D6Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1D6Z","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DYU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1JRQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1LVN","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1OAC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QAF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QAK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QAL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1SPU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2W0Q","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WGQ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"10576737","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1D6Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1D6Z","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DYU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1OAC","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QAK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QAL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2WGQ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI10
Number of Residues	2
Details	Binding site: {}

Chain

Residue

Details

---

site_id	SWS_FT_FI11
Number of Residues	2
Details	Modified residue: {"description":"2',4',5'-topaquinone","evidences":[{"source":"PubMed","id":"10387067","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1DYU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1JRQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QAF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QAK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1QAL","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

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

Chain	Residue	Details
A	ALA383

---

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

Chain	Residue	Details
B	ALA383

---

site_id	MCSA1
Number of Residues	6
Details	M-CSA 864

Chain	Residue	Details
A	TYR369	electrostatic stabiliser
A	ALA383	proton shuttle (general acid/base)
A	TPQ466	covalent catalysis
A	TYR528	metal ligand
A	PHE530	metal ligand
A	ALA693	metal ligand

---

site_id	MCSA2
Number of Residues	6
Details	M-CSA 864

Chain	Residue	Details
B	TYR369	electrostatic stabiliser
B	ALA383	proton shuttle (general acid/base)
B	TPQ466	covalent catalysis
B	TYR528	metal ligand
B	PHE530	metal ligand
B	ALA693	metal ligand

---