5SYN

Cocrystal structure of the human acyl protein thioesterase 2 with an isoform-selective inhibitor, ML349

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004622	molecular_function	phosphatidylcholine lysophospholipase activity
A	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
A	0005795	cellular_component	Golgi stack
A	0005829	cellular_component	cytosol
A	0006629	biological_process	lipid metabolic process
A	0006631	biological_process	fatty acid metabolic process
A	0007411	biological_process	axon guidance
A	0008474	molecular_function	palmitoyl-(protein) hydrolase activity
A	0016787	molecular_function	hydrolase activity
A	0045296	molecular_function	cadherin binding
A	0046464	biological_process	acylglycerol catabolic process
A	0070062	cellular_component	extracellular exosome
A	0098734	biological_process	macromolecule depalmitoylation
A	1905344	biological_process	prostaglandin catabolic process
B	0004622	molecular_function	phosphatidylcholine lysophospholipase activity
B	0005515	molecular_function	protein binding
B	0005737	cellular_component	cytoplasm
B	0005795	cellular_component	Golgi stack
B	0005829	cellular_component	cytosol
B	0006629	biological_process	lipid metabolic process
B	0006631	biological_process	fatty acid metabolic process
B	0007411	biological_process	axon guidance
B	0008474	molecular_function	palmitoyl-(protein) hydrolase activity
B	0016787	molecular_function	hydrolase activity
B	0045296	molecular_function	cadherin binding
B	0046464	biological_process	acylglycerol catabolic process
B	0070062	cellular_component	extracellular exosome
B	0098734	biological_process	macromolecule depalmitoylation
B	1905344	biological_process	prostaglandin catabolic process
C	0004622	molecular_function	phosphatidylcholine lysophospholipase activity
C	0005515	molecular_function	protein binding
C	0005737	cellular_component	cytoplasm
C	0005795	cellular_component	Golgi stack
C	0005829	cellular_component	cytosol
C	0006629	biological_process	lipid metabolic process
C	0006631	biological_process	fatty acid metabolic process
C	0007411	biological_process	axon guidance
C	0008474	molecular_function	palmitoyl-(protein) hydrolase activity
C	0016787	molecular_function	hydrolase activity
C	0045296	molecular_function	cadherin binding
C	0046464	biological_process	acylglycerol catabolic process
C	0070062	cellular_component	extracellular exosome
C	0098734	biological_process	macromolecule depalmitoylation
C	1905344	biological_process	prostaglandin catabolic process
D	0004622	molecular_function	phosphatidylcholine lysophospholipase activity
D	0005515	molecular_function	protein binding
D	0005737	cellular_component	cytoplasm
D	0005795	cellular_component	Golgi stack
D	0005829	cellular_component	cytosol
D	0006629	biological_process	lipid metabolic process
D	0006631	biological_process	fatty acid metabolic process
D	0007411	biological_process	axon guidance
D	0008474	molecular_function	palmitoyl-(protein) hydrolase activity
D	0016787	molecular_function	hydrolase activity
D	0045296	molecular_function	cadherin binding
D	0046464	biological_process	acylglycerol catabolic process
D	0070062	cellular_component	extracellular exosome
D	0098734	biological_process	macromolecule depalmitoylation
D	1905344	biological_process	prostaglandin catabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	18
Details	binding site for residue 71T A 301

Chain	Residue
A	LEU33
A	MET178
A	VAL179
A	PHE183
A	LEU186
A	THR187
A	HIS210
A	HOH429
A	HOH431
A	HOH452
A	GLY80
A	LEU81
A	SER82
A	PRO83
A	SER122
A	TRP148
A	LEU149
A	HIS152

---

site_id	AC2
Number of Residues	5
Details	binding site for residue EDO A 302

Chain	Residue
A	GLY110
A	HOH469
B	THR24
B	PRO112
B	ARG115

---

site_id	AC3
Number of Residues	21
Details	binding site for residue 71T B 301

Chain	Residue
B	LEU33
B	LEU66
B	LEU78
B	GLY80
B	LEU81
B	SER82
B	PRO83
B	GLU87
B	SER122
B	TRP148
B	LEU149
B	HIS152
B	MET178
B	VAL179
B	PHE183
B	LEU186
B	THR187
B	HIS210
B	HOH416
B	HOH434
B	HOH443

---

site_id	AC4
Number of Residues	4
Details	binding site for residue EDO B 302

Chain	Residue
B	TRP75
B	ASN98
B	ILE99
B	HOH402

---

site_id	AC5
Number of Residues	5
Details	binding site for residue EDO B 303

Chain	Residue
A	MET68
B	SER39
B	TRP40
B	ALA43
B	SER212

---

site_id	AC6
Number of Residues	4
Details	binding site for residue EDO B 304

Chain	Residue
A	GLY19
B	GLU104
B	HIS105
B	LYS108

---

site_id	AC7
Number of Residues	5
Details	binding site for residue EDO B 305

Chain	Residue
A	SER39
A	TRP40
A	ALA43
A	SER212
B	MET68

---

site_id	AC8
Number of Residues	19
Details	binding site for residue 71T C 301

Chain	Residue
C	LEU66
C	GLY80
C	LEU81
C	SER82
C	PRO83
C	GLU87
C	SER122
C	TRP148
C	LEU149
C	HIS152
C	MET178
C	VAL179
C	PHE183
C	LEU186
C	THR187
C	HIS210
C	HOH406
C	HOH414
C	HOH420

---

site_id	AC9
Number of Residues	5
Details	binding site for residue EDO C 302

Chain	Residue
C	SER39
C	TRP40
C	SER212
C	HOH410
D	MET68

---

site_id	AD1
Number of Residues	19
Details	binding site for residue 71T D 301

Chain	Residue
D	LEU186
D	THR187
D	HIS210
D	HOH412
D	HOH413
D	HOH420
D	LEU33
D	LEU78
D	GLY80
D	LEU81
D	SER82
D	PRO83
D	SER122
D	TRP148
D	LEU149
D	HIS152
D	MET178
D	VAL179
D	PHE183

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Charge relay system","evidences":[{"source":"PubMed","id":"28826475","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	Active site: {"description":"Charge relay system","evidences":[{"source":"UniProtKB","id":"O75608","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Modified residue: {"description":"Phosphoserine","evidences":[{"source":"UniProtKB","id":"Q9QYL8","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

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