4WAS

STRUCTURE OF THE ETR1P/NADP/CROTONYL-COA COMPLEX

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005739	cellular_component	mitochondrion
A	0006629	biological_process	lipid metabolic process
A	0006631	biological_process	fatty acid metabolic process
A	0006633	biological_process	fatty acid biosynthetic process
A	0016491	molecular_function	oxidoreductase activity
A	0019166	molecular_function	trans-2-enoyl-CoA reductase (NADPH) activity
A	0141148	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADPH) activity
B	0005739	cellular_component	mitochondrion
B	0006629	biological_process	lipid metabolic process
B	0006631	biological_process	fatty acid metabolic process
B	0006633	biological_process	fatty acid biosynthetic process
B	0016491	molecular_function	oxidoreductase activity
B	0019166	molecular_function	trans-2-enoyl-CoA reductase (NADPH) activity
B	0141148	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADPH) activity
C	0005739	cellular_component	mitochondrion
C	0006629	biological_process	lipid metabolic process
C	0006631	biological_process	fatty acid metabolic process
C	0006633	biological_process	fatty acid biosynthetic process
C	0016491	molecular_function	oxidoreductase activity
C	0019166	molecular_function	trans-2-enoyl-CoA reductase (NADPH) activity
C	0141148	molecular_function	enoyl-[acyl-carrier-protein] reductase (NADPH) activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	25
Details	binding site for residue NAP A 401

Chain	Residue
A	PRO69
A	ARG224
A	VAL275
A	TYR296
A	GLY297
A	MET299
A	PHE321
A	TRP322
A	VAL323
A	LYS381
A	COO402
A	VAL171
A	HOH521
A	HOH522
A	HOH526
A	HOH583
A	HOH584
A	HOH656
A	ASN172
A	THR175
A	THR199
A	SER200
A	ALA201
A	VAL202
A	ARG222

---

site_id	AC2
Number of Residues	17
Details	binding site for residue COO A 402

Chain	Residue
A	SER70
A	ASN73
A	TYR79
A	GLY297
A	GLY298
A	PHE301
A	VAL323
A	THR324
A	NAP401
A	HOH552
A	HOH595
A	HOH669
B	ARG285
B	PRO307
B	THR308
B	SER309
B	HOH565

---

site_id	AC3
Number of Residues	26
Details	binding site for residue NAP B 401

Chain	Residue
B	PRO69
B	VAL171
B	ASN172
B	THR175
B	GLY197
B	THR199
B	SER200
B	ALA201
B	VAL202
B	ARG222
B	ARG224
B	VAL275
B	TYR296
B	GLY297
B	MET299
B	PHE321
B	TRP322
B	VAL323
B	LYS381
B	COO402
B	HOH547
B	HOH557
B	HOH567
B	HOH574
B	HOH582
B	HOH598

---

site_id	AC4
Number of Residues	15
Details	binding site for residue COO B 402

Chain	Residue
A	PHE313
B	PRO69
B	SER70
B	ASN73
B	GLN76
B	TYR79
B	VAL171
B	GLY297
B	GLY298
B	MET299
B	PHE301
B	NAP401
B	HOH545
B	HOH583
B	HOH642

---

site_id	AC5
Number of Residues	25
Details	binding site for residue NAP C 401

Chain	Residue
C	VAL323
C	LYS381
C	COO402
C	HOH548
C	HOH563
C	HOH572
C	HOH584
C	HOH628
C	HOH646
C	PRO69
C	VAL171
C	ASN172
C	THR175
C	THR199
C	SER200
C	ALA201
C	VAL202
C	ARG222
C	ARG224
C	VAL275
C	TYR296
C	GLY297
C	MET299
C	PHE321
C	TRP322

---

site_id	AC6
Number of Residues	10
Details	binding site for residue COO C 402

Chain	Residue
C	SER70
C	ASN73
C	TYR79
C	GLY297
C	GLY298
C	MET299
C	THR324
C	NAP401
C	HOH547
C	HOH595

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	Active site: {"description":"Proton donor","evidences":[{"source":"PubMed","id":"25867044","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	36
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12614607","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12890667","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	1
Details	M-CSA 620

Chain	Residue	Details
A	TYR79	electrostatic stabiliser, increase electrophilicity

---

site_id	MCSA2
Number of Residues	1
Details	M-CSA 620

Chain	Residue	Details
B	TYR79	electrostatic stabiliser, increase electrophilicity

---

site_id	MCSA3
Number of Residues	1
Details	M-CSA 620

Chain	Residue	Details
C	TYR79	electrostatic stabiliser, increase electrophilicity

---