1PJH

Structural studies on delta3-delta2-enoyl-CoA isomerase: the variable mode of assembly of the trimeric disks of the crotonase superfamily

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004165	molecular_function	delta(3)-delta(2)-enoyl-CoA isomerase activity
A	0005777	cellular_component	peroxisome
A	0005782	cellular_component	peroxisomal matrix
A	0006629	biological_process	lipid metabolic process
A	0006631	biological_process	fatty acid metabolic process
A	0006635	biological_process	fatty acid beta-oxidation
A	0016853	molecular_function	isomerase activity
B	0004165	molecular_function	delta(3)-delta(2)-enoyl-CoA isomerase activity
B	0005777	cellular_component	peroxisome
B	0005782	cellular_component	peroxisomal matrix
B	0006629	biological_process	lipid metabolic process
B	0006631	biological_process	fatty acid metabolic process
B	0006635	biological_process	fatty acid beta-oxidation
B	0016853	molecular_function	isomerase activity
C	0004165	molecular_function	delta(3)-delta(2)-enoyl-CoA isomerase activity
C	0005777	cellular_component	peroxisome
C	0005782	cellular_component	peroxisomal matrix
C	0006629	biological_process	lipid metabolic process
C	0006631	biological_process	fatty acid metabolic process
C	0006635	biological_process	fatty acid beta-oxidation
C	0016853	molecular_function	isomerase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 500

Chain	Residue
C	GLY63
C	ASN205
C	ALA206
C	GLU207

---

site_id	AC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 501

Chain	Residue
A	HOH1422
A	HOH1435
B	HOH1435
A	GLY63
A	ASN205
A	ALA206
A	GLU207
A	HOH1419

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 502

Chain	Residue
B	ASN141
B	ASN200
B	MET201
B	PRO202
B	SO4503

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 B 503

Chain	Residue
B	ARG64
B	LYS143
B	PRO202
B	SER203
B	SER204
B	SO4502

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 504

Chain	Residue
C	ARG64
C	LYS143
C	SER203
C	SER204

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 C 505

Chain	Residue
C	ARG64
C	LYS143
C	SER203
C	HOH1342
C	HOH1398

---

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 506

Chain	Residue
A	ARG64
A	LYS143
A	SER203
A	SER204
A	SO4508

---

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 B 507

Chain	Residue
B	TYR225
B	PRO227
B	HOH1427
C	LYS257
C	TYR258
C	ASP261

---

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 508

Chain	Residue
A	ASN141
A	ASN200
A	MET201
A	PRO202
A	SO4506

---

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 509

Chain	Residue
A	TYR225
A	PRO227
B	LYS257
B	TYR258
B	ASP261

---

site_id	BC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 1301

Chain	Residue
A	GLY69
A	ALA70
A	GLY125
A	LEU126
A	LEU155
A	GLU158
A	HOH1432

---

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL B 1302

Chain	Residue
B	GLY69
B	ALA70
B	GLY125
B	LEU126
B	LEU155
B	GLU158
B	HOH1394
B	HOH1415

---

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL C 1303

Chain	Residue
C	ALA70
C	ARG100
C	GLY125
C	LEU126
C	GLU158

---

site_id	BC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 1304

Chain	Residue
A	ILE195
A	SER196
A	HOH1364
B	GLU176
B	LYS182
B	ILE188
B	HOH1418

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	Active site: {"description":"Proton donor/acceptor","evidences":[{"source":"PubMed","id":"26527136","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	12
Details	Binding site: {"evidences":[{"source":"PubMed","id":"26527136","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4ZDB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4ZDC","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"PubMed","id":"26527136","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"4ZDC","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	a catalytic site defined by CSA, PubMed 11399063

Chain	Residue	Details
A	LEU126
A	GLU158
A	ALA70

---

site_id	CSA2
Number of Residues	3
Details	a catalytic site defined by CSA, PubMed 11399063

Chain	Residue	Details
B	LEU126
B	GLU158
B	ALA70

---

site_id	CSA3
Number of Residues	3
Details	a catalytic site defined by CSA, PubMed 11399063

Chain	Residue	Details
C	LEU126
C	GLU158
C	ALA70

---

site_id	MCSA1
Number of Residues	4
Details	M-CSA 499

Chain	Residue	Details
A	ALA70	electrostatic stabiliser
A	ASN101	electrostatic stabiliser, modifies pKa
A	LEU126	electrostatic stabiliser
A	GLU158	proton acceptor, proton donor

---

site_id	MCSA2
Number of Residues	4
Details	M-CSA 499

Chain	Residue	Details
B	ALA70	electrostatic stabiliser
B	ASN101	electrostatic stabiliser, modifies pKa
B	LEU126	electrostatic stabiliser
B	GLU158	proton acceptor, proton donor

---

site_id	MCSA3
Number of Residues	4
Details	M-CSA 499

Chain	Residue	Details
C	ALA70	electrostatic stabiliser
C	ASN101	electrostatic stabiliser, modifies pKa
C	LEU126	electrostatic stabiliser
C	GLU158	proton acceptor, proton donor

---