6U0J

Crosslinked Crystal Structure of Malonyl-CoA Acyl Carrier Protein Transacylase, FabD, and Acyl Carrier Protein, AcpP

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004314	molecular_function	[acyl-carrier-protein] S-malonyltransferase activity
A	0005829	cellular_component	cytosol
A	0006629	biological_process	lipid metabolic process
A	0006631	biological_process	fatty acid metabolic process
A	0006633	biological_process	fatty acid biosynthetic process
A	0016740	molecular_function	transferase activity
A	0016746	molecular_function	acyltransferase activity
B	0000035	molecular_function	acyl binding
B	0000036	molecular_function	acyl carrier activity
B	0005515	molecular_function	protein binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006629	biological_process	lipid metabolic process
B	0006631	biological_process	fatty acid metabolic process
B	0006633	biological_process	fatty acid biosynthetic process
B	0008289	molecular_function	lipid binding
B	0008610	biological_process	lipid biosynthetic process
B	0009245	biological_process	lipid A biosynthetic process
B	0009410	biological_process	response to xenobiotic stimulus
B	0016020	cellular_component	membrane
B	0031177	molecular_function	phosphopantetheine binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue EDO A 401

Chain	Residue
A	MET18
A	LEU19
A	PRO277
A	GLY278
A	ASN298
A	HOH518

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site_id	AC2
Number of Residues	9
Details	binding site for residue EDO A 402

Chain	Residue
A	ALA84
A	PRO85
A	ALA86
A	HOH532
A	HOH606
A	HOH649
A	GLN3
A	PHE4
A	LYS83

---

site_id	AC3
Number of Residues	5
Details	binding site for residue EDO A 403

Chain	Residue
A	GLU31
A	GLN79
A	ASN239
A	HOH643
A	HOH652

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site_id	AC4
Number of Residues	2
Details	binding site for residue EDO A 404

Chain	Residue
A	GLN3
A	GLN267

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site_id	AC5
Number of Residues	3
Details	binding site for residue EDO A 405

Chain	Residue
A	PRO224
A	HOH505
A	HOH629

---

site_id	AC6
Number of Residues	6
Details	binding site for residue SO4 A 406

Chain	Residue
A	GLN11
A	CYS92
A	LEU93
A	ARG117
A	SER200
A	HIS201

---

site_id	AC7
Number of Residues	6
Details	binding site for residue EDO A 407

Chain	Residue
A	LYS83
A	THR220
A	HOH513
A	HOH540
A	HOH581
A	HOH679

---

site_id	AC8
Number of Residues	2
Details	binding site for residue EDO A 408

Chain	Residue
A	HOH506
A	HOH685

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site_id	AC9
Number of Residues	15
Details	binding site for residue 9EF B 101

Chain	Residue
A	GLN11
A	HIS91
A	CYS92
A	ASN160
A	ASN162
A	GLN166
A	VAL168
A	LEU192
A	HIS201
A	HOH578
A	HOH600
B	ASP35
B	SER36
B	HOH220
B	HOH223

---

Functional Information from PROSITE/UniProt

site_id	PS00012
Number of Residues	16
Details	PHOSPHOPANTETHEINE Phosphopantetheine attachment site. DLGADSLDTVELVMAL

Chain	Residue	Details
B	ASP31-LEU46

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Active site: {"evidences":[{"source":"PubMed","id":"7768883","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	1
Details	Modified residue: {"description":"O-(pantetheine 4'-phosphoryl)serine","evidences":[{"source":"PROSITE-ProRule","id":"PRU00258","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"4882207","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	6
Details	M-CSA 291

Chain	Residue	Details
A	GLN11	electrostatic stabiliser, hydrogen bond donor
A	CYS92	activator, covalently attached, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor
A	LEU93	electrostatic stabiliser, hydrogen bond donor
A	ARG117	attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond donor
A	HIS201	hydrogen bond acceptor, hydrogen bond donor, increase nucleophilicity, proton acceptor, proton donor
A	GLN250	electrostatic stabiliser, hydrogen bond acceptor, increase basicity

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