2WD9

CRYSTAL STRUCTURE OF HUMAN ACYL-COA SYNTHETASE MEDIUM-CHAIN FAMILY MEMBER 2A (L64P MUTATION) IN COMPLEX WITH IBUPROFEN

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0004321	molecular_function	fatty-acyl-CoA synthase activity
A	0005524	molecular_function	ATP binding
A	0005739	cellular_component	mitochondrion
A	0005759	cellular_component	mitochondrial matrix
A	0006629	biological_process	lipid metabolic process
A	0006631	biological_process	fatty acid metabolic process
A	0006633	biological_process	fatty acid biosynthetic process
A	0006637	biological_process	acyl-CoA metabolic process
A	0015645	molecular_function	fatty acid ligase activity
A	0016405	molecular_function	CoA-ligase activity
A	0016874	molecular_function	ligase activity
A	0016878	molecular_function	acid-thiol ligase activity
A	0018858	molecular_function	benzoate-CoA ligase activity
A	0031956	molecular_function	medium-chain fatty acid-CoA ligase activity
A	0036112	biological_process	medium-chain fatty-acyl-CoA metabolic process
A	0042593	biological_process	glucose homeostasis
A	0046872	molecular_function	metal ion binding
A	0070328	biological_process	triglyceride homeostasis
A	0102391	molecular_function	decanoate-CoA ligase activity
B	0000166	molecular_function	nucleotide binding
B	0004321	molecular_function	fatty-acyl-CoA synthase activity
B	0005524	molecular_function	ATP binding
B	0005739	cellular_component	mitochondrion
B	0005759	cellular_component	mitochondrial matrix
B	0006629	biological_process	lipid metabolic process
B	0006631	biological_process	fatty acid metabolic process
B	0006633	biological_process	fatty acid biosynthetic process
B	0006637	biological_process	acyl-CoA metabolic process
B	0015645	molecular_function	fatty acid ligase activity
B	0016405	molecular_function	CoA-ligase activity
B	0016874	molecular_function	ligase activity
B	0016878	molecular_function	acid-thiol ligase activity
B	0018858	molecular_function	benzoate-CoA ligase activity
B	0031956	molecular_function	medium-chain fatty acid-CoA ligase activity
B	0036112	biological_process	medium-chain fatty-acyl-CoA metabolic process
B	0042593	biological_process	glucose homeostasis
B	0046872	molecular_function	metal ion binding
B	0070328	biological_process	triglyceride homeostasis
B	0102391	molecular_function	decanoate-CoA ligase activity
C	0000166	molecular_function	nucleotide binding
C	0004321	molecular_function	fatty-acyl-CoA synthase activity
C	0005524	molecular_function	ATP binding
C	0005739	cellular_component	mitochondrion
C	0005759	cellular_component	mitochondrial matrix
C	0006629	biological_process	lipid metabolic process
C	0006631	biological_process	fatty acid metabolic process
C	0006633	biological_process	fatty acid biosynthetic process
C	0006637	biological_process	acyl-CoA metabolic process
C	0015645	molecular_function	fatty acid ligase activity
C	0016405	molecular_function	CoA-ligase activity
C	0016874	molecular_function	ligase activity
C	0016878	molecular_function	acid-thiol ligase activity
C	0018858	molecular_function	benzoate-CoA ligase activity
C	0031956	molecular_function	medium-chain fatty acid-CoA ligase activity
C	0036112	biological_process	medium-chain fatty-acyl-CoA metabolic process
C	0042593	biological_process	glucose homeostasis
C	0046872	molecular_function	metal ion binding
C	0070328	biological_process	triglyceride homeostasis
C	0102391	molecular_function	decanoate-CoA ligase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG B 601

Chain	Residue
B	MET483
B	HIS485
B	VAL488

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site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG C 601

Chain	Residue
C	MET483
C	HIS485
C	VAL488

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site_id	AC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE IBP A 1570

Chain	Residue
A	GLY362
A	GLN363
A	THR364
A	GLY470
A	ARG472
A	ILE266
A	LEU267
A	VAL337

---

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE IBP B 1570

Chain	Residue
B	ILE266
B	LEU267
B	GLY362
B	THR364
B	GLY470
B	ARG472
B	HOH2087

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE IBP C 1570

Chain	Residue
C	TRP265
C	ILE266
C	GLY362
C	GLN363
C	THR364
C	GLY470
C	ARG472

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Functional Information from PROSITE/UniProt

site_id	PS00455
Number of Residues	12
Details	AMP_BINDING Putative AMP-binding domain signature. IYFTSGTSGlPK

Chain	Residue	Details
A	ILE218-LYS229

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	27
Details	Binding site: {"evidences":[{"source":"PubMed","id":"19345228","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	48
Details	Binding site: {"evidences":[{"source":"PubMed","id":"19345228","evidenceCode":"ECO:0000269"},{"source":"Reference","evidenceCode":"ECO:0000269","citation":{"citationType":"submission","publicationDate":"FEB-2008","submissionDatabase":"PDB data bank","title":"Crystal structure of L64P mutant of human acyl-CoA synthetase medium-chain family member 2A.","authoringGroup":["Structural genomics consortium (SGC)"]}}]}

Chain

Residue

Details

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site_id	SWS_FT_FI3
Number of Residues	3
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"Q68CK6","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

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