1DAK

DETHIOBIOTIN SYNTHETASE FROM ESCHERICHIA COLI, COMPLEX REACTION INTERMEDIATE ADP AND MIXED ANHYDRIDE

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0000287	molecular_function	magnesium ion binding
A	0004141	molecular_function	dethiobiotin synthase activity
A	0005524	molecular_function	ATP binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0009102	biological_process	biotin biosynthetic process
A	0016874	molecular_function	ligase activity
A	0042803	molecular_function	protein homodimerization activity
A	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	8
Details	BINDING SITE FOR RESIDUE PO4 A 803

Chain	Residue
A	LYS148
A	LEU149
A	ARG183
A	HIS184
A	HOH767
A	HOH768
A	HOH769
A	HOH792

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG A 901

Chain	Residue
A	ASP54
A	GLU115
A	HOH444
A	DPU801
A	ADP802
A	MG902
A	THR16

---

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE MG A 902

Chain	Residue
A	HOH429
A	HOH444
A	HOH559
A	HOH754
A	DPU801
A	ADP802
A	MG901

---

site_id	AC4
Number of Residues	23
Details	BINDING SITE FOR RESIDUE DPU A 801

Chain	Residue
A	THR11
A	LYS15
A	LYS37
A	ALA40
A	SER41
A	ASP54
A	PRO79
A	GLU115
A	ALA117
A	GLY118
A	GLY150
A	CYS151
A	ILE152
A	ASN153
A	TYR187
A	HOH559
A	HOH655
A	HOH717
A	HOH754
A	HOH755
A	ADP802
A	MG901
A	MG902

---

site_id	AC5
Number of Residues	22
Details	BINDING SITE FOR RESIDUE ADP A 802

Chain	Residue
A	GLU12
A	VAL13
A	GLY14
A	LYS15
A	THR16
A	VAL17
A	GLU115
A	ASN175
A	ASP176
A	PRO204
A	TRP205
A	LEU206
A	PRO210
A	GLU211
A	HOH429
A	HOH444
A	HOH711
A	HOH714
A	HOH756
A	DPU801
A	MG901
A	MG902

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00336","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"9125495","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00336","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"7669756","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9576910","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9865950","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1A82","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1BS1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAM","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"9865950","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1BS1","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00336","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"9576910","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9865950","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1A82","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1BS1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAM","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00336","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"7669756","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9576910","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9865950","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1BS1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAM","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00336","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"9576910","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1A82","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAK","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"PubMed","id":"7669756","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9576910","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9865950","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1A82","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1BS1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAM","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	1
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00336","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"7669756","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9576910","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"9865950","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1A82","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1BS1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAF","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DAM","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	a catalytic site defined by CSA, PubMed 9576910, 9125495, 9865950

Chain	Residue	Details
A	LYS15
A	LYS37
A	THR11
A	SER41

---

site_id	MCSA1
Number of Residues	8
Details	M-CSA 74

Chain	Residue	Details
A	THR11	electrostatic stabiliser
A	GLU12	metal ligand
A	LYS15	electrostatic stabiliser, hydrogen bond donor
A	THR16	metal ligand
A	LYS37	electrostatic stabiliser, hydrogen bond donor
A	SER41	electrostatic stabiliser, hydrogen bond donor
A	ASP54	metal ligand
A	GLU115	metal ligand

---