Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6QXA

Structure of membrane bound pyrophosphatase from Thermotoga maritima in complex with imidodiphosphate and N-[(2-amino-6-benzothiazolyl)methyl]-1H-indole-2-carboxamide (ATC)

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0004427	molecular_function	inorganic diphosphate phosphatase activity
A	0005509	molecular_function	calcium ion binding
A	0005515	molecular_function	protein binding
A	0005886	cellular_component	plasma membrane
A	0006811	biological_process	monoatomic ion transport
A	0006814	biological_process	sodium ion transport
A	0009678	molecular_function	diphosphate hydrolysis-driven proton transmembrane transporter activity
A	0015081	molecular_function	sodium ion transmembrane transporter activity
A	0016020	cellular_component	membrane
A	0030955	molecular_function	potassium ion binding
A	0035725	biological_process	sodium ion transmembrane transport
A	0042803	molecular_function	protein homodimerization activity
A	0046872	molecular_function	metal ion binding
A	1902600	biological_process	proton transmembrane transport
B	0000287	molecular_function	magnesium ion binding
B	0004427	molecular_function	inorganic diphosphate phosphatase activity
B	0005509	molecular_function	calcium ion binding
B	0005515	molecular_function	protein binding
B	0005886	cellular_component	plasma membrane
B	0006811	biological_process	monoatomic ion transport
B	0006814	biological_process	sodium ion transport
B	0009678	molecular_function	diphosphate hydrolysis-driven proton transmembrane transporter activity
B	0015081	molecular_function	sodium ion transmembrane transporter activity
B	0016020	cellular_component	membrane
B	0030955	molecular_function	potassium ion binding
B	0035725	biological_process	sodium ion transmembrane transport
B	0042803	molecular_function	protein homodimerization activity
B	0046872	molecular_function	metal ion binding
B	1902600	biological_process	proton transmembrane transport
C	0000287	molecular_function	magnesium ion binding
C	0004427	molecular_function	inorganic diphosphate phosphatase activity
C	0005509	molecular_function	calcium ion binding
C	0005515	molecular_function	protein binding
C	0005886	cellular_component	plasma membrane
C	0006811	biological_process	monoatomic ion transport
C	0006814	biological_process	sodium ion transport
C	0009678	molecular_function	diphosphate hydrolysis-driven proton transmembrane transporter activity
C	0015081	molecular_function	sodium ion transmembrane transporter activity
C	0016020	cellular_component	membrane
C	0030955	molecular_function	potassium ion binding
C	0035725	biological_process	sodium ion transmembrane transport
C	0042803	molecular_function	protein homodimerization activity
C	0046872	molecular_function	metal ion binding
C	1902600	biological_process	proton transmembrane transport
D	0000287	molecular_function	magnesium ion binding
D	0004427	molecular_function	inorganic diphosphate phosphatase activity
D	0005509	molecular_function	calcium ion binding
D	0005515	molecular_function	protein binding
D	0005886	cellular_component	plasma membrane
D	0006811	biological_process	monoatomic ion transport
D	0006814	biological_process	sodium ion transport
D	0009678	molecular_function	diphosphate hydrolysis-driven proton transmembrane transporter activity
D	0015081	molecular_function	sodium ion transmembrane transporter activity
D	0016020	cellular_component	membrane
D	0030955	molecular_function	potassium ion binding
D	0035725	biological_process	sodium ion transmembrane transport
D	0042803	molecular_function	protein homodimerization activity
D	0046872	molecular_function	metal ion binding
D	1902600	biological_process	proton transmembrane transport

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	binding site for residue MG A 801

Chain	Residue
A	ASP202
A	ASP206
A	MG803
A	2PN806

site_id	AC2
Number of Residues	3
Details	binding site for residue MG A 802

Chain	Residue
A	ASP218
A	ASP465
A	2PN806

site_id	AC3
Number of Residues	4
Details	binding site for residue MG A 803

Chain	Residue
A	MG801
A	2PN806
A	ASP202
A	ASP692

site_id	AC4
Number of Residues	4
Details	binding site for residue MG A 804

Chain	Residue
A	ASP228
A	ASP232
A	ASP465
A	2PN806

site_id	AC5
Number of Residues	4
Details	binding site for residue MG A 805

Chain	Residue
A	ASP488
A	ASN492
A	ASP660
A	2PN806

site_id	AC6
Number of Residues	17
Details	binding site for residue 2PN A 806

Chain	Residue
A	LYS199
A	ASP202
A	GLU217
A	ASP232
A	ASP465
A	ASP488
A	ASP660
A	LYS664
A	ASP692
A	LYS695
A	ASP696
A	MG801
A	MG802
A	MG803
A	MG804
A	MG805
A	K808

site_id	AC7
Number of Residues	5
Details	binding site for residue NA A 807

Chain	Residue
A	ASP243
A	GLU246
A	SER247
A	ASP703
A	LYS707

site_id	AC8
Number of Residues	2
Details	binding site for residue K A 808

Chain	Residue
A	2PN806
A	HOH901

site_id	AC9
Number of Residues	10
Details	binding site for residue GQB A 809

Chain	Residue
A	GLN268
A	GLN277
A	GLY528
A	PRO530
A	GQB810
D	ILE70
D	THR72
D	THR73
D	TRP74
D	TRP164

site_id	AD1
Number of Residues	8
Details	binding site for residue GQB A 810

Chain	Residue
A	GLN268
A	GLN277
A	ASP351
A	VAL352
A	GQB809
D	TRP74
D	ASN157
D	TYR161

site_id	AD2
Number of Residues	6
Details	binding site for residue MG B 801

Chain	Residue
B	LYS199
B	ASP202
B	ASP688
B	ASP692
B	MG805
B	2PN806

site_id	AD3
Number of Residues	5
Details	binding site for residue MG B 802

Chain	Residue
B	ASP218
B	ASP228
B	ASP465
B	MG803
B	2PN806

site_id	AD4
Number of Residues	4
Details	binding site for residue MG B 803

Chain	Residue
B	ASP232
B	ASP465
B	MG802
B	2PN806

site_id	AD5
Number of Residues	4
Details	binding site for residue MG B 804

Chain	Residue
B	ASP488
B	ASN492
B	ASP660
B	2PN806

site_id	AD6
Number of Residues	5
Details	binding site for residue MG B 805

Chain	Residue
B	ASP202
B	ASP206
B	ASP688
B	MG801
B	2PN806

site_id	AD7
Number of Residues	16
Details	binding site for residue 2PN B 806

Chain	Residue
B	MG805
B	K808
B	LYS199
B	ASP202
B	GLU217
B	ASP228
B	ASP232
B	ASP465
B	ASN492
B	ASP688
B	ASP692
B	LYS695
B	MG801
B	MG802
B	MG803
B	MG804

site_id	AD8
Number of Residues	5
Details	binding site for residue NA B 807

Chain	Residue
B	ASP243
B	GLU246
B	SER247
B	ASP703
B	LYS707

site_id	AD9
Number of Residues	2
Details	binding site for residue K B 808

Chain	Residue
B	ASP236
B	2PN806

site_id	AE1
Number of Residues	6
Details	binding site for residue MG C 801

Chain	Residue
C	ASP202
C	ASP206
C	ASP688
C	MG803
C	2PN806
C	HOH903

site_id	AE2
Number of Residues	5
Details	binding site for residue MG C 802

Chain	Residue
C	ASP228
C	ASP232
C	ASP465
C	MG804
C	2PN806

site_id	AE3
Number of Residues	5
Details	binding site for residue MG C 803

Chain	Residue
C	ASP202
C	ASP688
C	ASP692
C	MG801
C	2PN806

site_id	AE4
Number of Residues	7
Details	binding site for residue MG C 804

Chain	Residue
C	ASP218
C	ASP228
C	ASP232
C	ASP465
C	MG802
C	2PN806
C	HOH901

site_id	AE5
Number of Residues	4
Details	binding site for residue MG C 805

Chain	Residue
C	ASP488
C	ASN492
C	ASP660
C	2PN806

site_id	AE6
Number of Residues	16
Details	binding site for residue 2PN C 806

Chain	Residue
C	LYS199
C	ASP202
C	GLU217
C	ASP232
C	ASP236
C	ASP465
C	ASN492
C	ASP692
C	LYS695
C	ASP696
C	MG801
C	MG802
C	MG803
C	MG804
C	MG805
C	HOH903

site_id	AE7
Number of Residues	3
Details	binding site for residue D1D C 807

Chain	Residue
A	ASN597
A	ILE600
C	ASN597

site_id	AE8
Number of Residues	7
Details	binding site for residue GQB C 808

Chain	Residue
B	MET69
B	ILE70
B	THR72
B	TRP164
C	GLN268
C	LYS269
C	GLY528

site_id	AE9
Number of Residues	3
Details	binding site for residue MG D 801

Chain	Residue
D	ASP202
D	ASP206
D	2PN806

site_id	AF1
Number of Residues	6
Details	binding site for residue MG D 802

Chain	Residue
D	ASP218
D	ASP228
D	ASN229
D	ASP232
D	ASP465
D	2PN806

site_id	AF2
Number of Residues	4
Details	binding site for residue MG D 803

Chain	Residue
D	ASP232
D	ASP465
D	2PN806
D	K808

site_id	AF3
Number of Residues	4
Details	binding site for residue MG D 804

Chain	Residue
D	ASP488
D	ASN492
D	ASP660
D	2PN806

site_id	AF4
Number of Residues	5
Details	binding site for residue MG D 805

Chain	Residue
D	ASP660
D	ASP688
D	ASP692
D	LYS695
D	2PN806

site_id	AF5
Number of Residues	20
Details	binding site for residue 2PN D 806

Chain	Residue
D	LYS199
D	ASP202
D	ASP206
D	GLU217
D	ASP228
D	ASP232
D	ASP465
D	ASP488
D	ASN492
D	ASP660
D	LYS663
D	ASP692
D	LYS695
D	MG801
D	MG802
D	MG803
D	MG804
D	MG805
D	K808
D	HOH902

site_id	AF6
Number of Residues	5
Details	binding site for residue NA D 807

Chain	Residue
D	ASP243
D	SER247
D	ALA502
D	ASP703
D	LYS707

site_id	AF7
Number of Residues	5
Details	binding site for residue K D 808

Chain	Residue
D	ASP236
D	ASN492
D	LYS695
D	MG803
D	2PN806

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1600
Details	Transmembrane: {"description":"Helical"}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	856
Details	Topological domain: {"description":"Cytoplasmic","evidences":[{"source":"PubMed","id":"22837527","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	262
Details	Topological domain: {"description":"Periplasmic","evidences":[{"source":"PubMed","id":"22837527","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	8
Details	Binding site: {}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	8
Details	Binding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PubMed","id":"22837527","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PubMed","id":"22837527","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4AV3","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI8
Number of Residues	20
Details	Site: {"description":"Important for ion transport","evidences":[{"evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI9
Number of Residues	4
Details	Site: {"description":"Determinant of potassium dependence","evidences":[{"source":"HAMAP-Rule","id":"MF_01129","evidenceCode":"ECO:0000255"},{"evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)