Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6ET9

Structure of the acetoacetyl-CoA-thiolase/HMG-CoA-synthase complex from Methanothermococcus thermolithotrophicus at 2.75 A

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003985	molecular_function	acetyl-CoA C-acetyltransferase activity
A	0008299	biological_process	isoprenoid biosynthetic process
A	0016740	molecular_function	transferase activity
A	0016746	molecular_function	acyltransferase activity
A	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
B	0003985	molecular_function	acetyl-CoA C-acetyltransferase activity
B	0008299	biological_process	isoprenoid biosynthetic process
B	0016740	molecular_function	transferase activity
B	0016746	molecular_function	acyltransferase activity
B	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
C	0003985	molecular_function	acetyl-CoA C-acetyltransferase activity
C	0008299	biological_process	isoprenoid biosynthetic process
C	0016740	molecular_function	transferase activity
C	0016746	molecular_function	acyltransferase activity
C	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
D	0003985	molecular_function	acetyl-CoA C-acetyltransferase activity
D	0008299	biological_process	isoprenoid biosynthetic process
D	0016740	molecular_function	transferase activity
D	0016746	molecular_function	acyltransferase activity
D	0016747	molecular_function	acyltransferase activity, transferring groups other than amino-acyl groups
E	0046872	molecular_function	metal ion binding
F	0046872	molecular_function	metal ion binding
G	0046872	molecular_function	metal ion binding
H	0046872	molecular_function	metal ion binding
I	0003985	molecular_function	acetyl-CoA C-acetyltransferase activity
I	0004421	molecular_function	hydroxymethylglutaryl-CoA synthase activity
I	0006084	biological_process	acetyl-CoA metabolic process
I	0008299	biological_process	isoprenoid biosynthetic process
I	0010142	biological_process	farnesyl diphosphate biosynthetic process, mevalonate pathway
I	0016740	molecular_function	transferase activity
I	0016746	molecular_function	acyltransferase activity
I	0019287	biological_process	isopentenyl diphosphate biosynthetic process, mevalonate pathway
J	0003985	molecular_function	acetyl-CoA C-acetyltransferase activity
J	0004421	molecular_function	hydroxymethylglutaryl-CoA synthase activity
J	0006084	biological_process	acetyl-CoA metabolic process
J	0008299	biological_process	isoprenoid biosynthetic process
J	0010142	biological_process	farnesyl diphosphate biosynthetic process, mevalonate pathway
J	0016740	molecular_function	transferase activity
J	0016746	molecular_function	acyltransferase activity
J	0019287	biological_process	isopentenyl diphosphate biosynthetic process, mevalonate pathway
K	0003985	molecular_function	acetyl-CoA C-acetyltransferase activity
K	0004421	molecular_function	hydroxymethylglutaryl-CoA synthase activity
K	0006084	biological_process	acetyl-CoA metabolic process
K	0008299	biological_process	isoprenoid biosynthetic process
K	0010142	biological_process	farnesyl diphosphate biosynthetic process, mevalonate pathway
K	0016740	molecular_function	transferase activity
K	0016746	molecular_function	acyltransferase activity
K	0019287	biological_process	isopentenyl diphosphate biosynthetic process, mevalonate pathway
L	0003985	molecular_function	acetyl-CoA C-acetyltransferase activity
L	0004421	molecular_function	hydroxymethylglutaryl-CoA synthase activity
L	0006084	biological_process	acetyl-CoA metabolic process
L	0008299	biological_process	isoprenoid biosynthetic process
L	0010142	biological_process	farnesyl diphosphate biosynthetic process, mevalonate pathway
L	0016740	molecular_function	transferase activity
L	0016746	molecular_function	acyltransferase activity
L	0019287	biological_process	isopentenyl diphosphate biosynthetic process, mevalonate pathway

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	binding site for residue NA A 401

Chain	Residue
A	LYS314
A	ILE315
A	ARG316
A	TYR319
A	PHE322
A	VAL323
A	THR324

site_id	AC2
Number of Residues	3
Details	binding site for residue TRS A 402

Chain	Residue
D	HOH516
A	THR365
D	LYS302

site_id	AC3
Number of Residues	1
Details	binding site for residue TRS A 404

Chain	Residue
A	HOH511

site_id	AC4
Number of Residues	3
Details	binding site for residue K A 405

Chain	Residue
A	THR255
A	GLU296
A	ASP297

site_id	AC5
Number of Residues	2
Details	binding site for residue TRS B 402

Chain	Residue
B	LYS266
B	HOH527

site_id	AC6
Number of Residues	3
Details	binding site for residue K B 403

Chain	Residue
B	ASP36
B	LYS354
D	GLU232

site_id	AC7
Number of Residues	1
Details	binding site for residue TRS C 401

Chain	Residue
A	LYS266

site_id	AC8
Number of Residues	3
Details	binding site for residue K C 402

Chain	Residue
C	ASP36
C	GLU232
C	LYS354

site_id	AC9
Number of Residues	2
Details	binding site for residue CL C 403

Chain	Residue
C	GLY41
F	ARG39

site_id	AD1
Number of Residues	2
Details	binding site for residue MG D 401

Chain	Residue
B	ASP40
D	ASN38

site_id	AD2
Number of Residues	3
Details	binding site for residue NA D 402

Chain	Residue
D	GLY335
D	THR341
D	ARG344

site_id	AD3
Number of Residues	3
Details	binding site for residue TRS D 403

Chain	Residue
D	LYS266
D	HOH521
D	HOH527

site_id	AD4
Number of Residues	2
Details	binding site for residue K D 404

Chain	Residue
D	ASP36
D	GLU232

site_id	AD5
Number of Residues	4
Details	binding site for residue ZN E 201

Chain	Residue
E	CYS20
E	CYS23
E	CYS34
E	CYS37

site_id	AD6
Number of Residues	3
Details	binding site for residue CL E 203

Chain	Residue
B	GLY41
E	ARG38
E	HOH318

site_id	AD7
Number of Residues	4
Details	binding site for residue ZN F 201

Chain	Residue
F	CYS20
F	CYS23
F	CYS34
F	CYS37

site_id	AD8
Number of Residues	1
Details	binding site for residue TRS F 202

Chain	Residue
F	LYS10

site_id	AD9
Number of Residues	4
Details	binding site for residue ZN G 201

Chain	Residue
G	CYS20
G	CYS23
G	CYS34
G	CYS37

site_id	AE1
Number of Residues	3
Details	binding site for residue TRS G 202

Chain	Residue
G	TRP6
G	LYS10
K	LYS212

site_id	AE2
Number of Residues	4
Details	binding site for residue CL G 203

Chain	Residue
D	GLY41
G	ARG38
G	ARG39
G	HOH328

site_id	AE3
Number of Residues	4
Details	binding site for residue ZN H 201

Chain	Residue
H	CYS20
H	CYS23
H	CYS34
H	CYS37

site_id	AE4
Number of Residues	3
Details	binding site for residue TRS H 202

Chain	Residue
H	LYS10
H	HOH301
J	LYS212

site_id	AE5
Number of Residues	2
Details	binding site for residue CL H 203

Chain	Residue
H	ARG38
H	ARG39

site_id	AE6
Number of Residues	2
Details	binding site for residue K I 401

Chain	Residue
I	GLU111
K	GLU111

site_id	AE7
Number of Residues	1
Details	binding site for residue K I 402

Chain	Residue
I	ASP3

site_id	AE8
Number of Residues	4
Details	binding site for residue CL I 403

Chain	Residue
I	LYS89
I	HOH521
K	PHE112
K	ALA113

site_id	AE9
Number of Residues	1
Details	binding site for residue GOL I 405

Chain	Residue
I	GLU32

site_id	AF1
Number of Residues	5
Details	binding site for residue NA J 401

Chain	Residue
J	PRO148
J	GLY149
J	ASP150
J	GLU153
J	TYR154

site_id	AF2
Number of Residues	2
Details	binding site for residue K J 402

Chain	Residue
J	GLU111
L	GLU111

site_id	AF3
Number of Residues	3
Details	binding site for residue K K 401

Chain	Residue
K	GLU72
K	ALA101
K	ASP104

site_id	AF4
Number of Residues	1
Details	binding site for residue GOL K 402

Chain	Residue
K	ASN177

site_id	AF5
Number of Residues	2
Details	binding site for residue GOL L 401

Chain	Residue
L	LYS19
L	TYR334

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Acyl-thioester intermediate","evidences":[{"source":"UniProtKB","id":"P14611","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	4
Details	Active site: {"description":"Proton acceptor","evidences":[{"source":"UniProtKB","id":"P14611","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	24
Details	Binding site: {"evidences":[{"source":"PubMed","id":"29531083","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"6ESQ","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	16
Details	Binding site: {"evidences":[{"source":"PubMed","id":"29531083","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"6ESQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6ET9","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	8
Details	Active site: {"description":"Proton donor/acceptor","evidences":[{"source":"HAMAP-Rule","id":"MF_01409","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	4
Details	Active site: {"description":"Acyl-thioester intermediate","evidences":[{"source":"HAMAP-Rule","id":"MF_01409","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

site_id	SWS_FT_FI7
Number of Residues	28
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_01409","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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