4KEH

Crosslinked Crystal Structure of Type II Fatty Synthase Dehydratase, FabA, and Acyl Carrier Protein, AcpP

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004317	molecular_function	(3R)-3-hydroxypalmitoyl-[acyl-carrier-protein] dehydratase activity
A	0005737	cellular_component	cytoplasm
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	0008659	molecular_function	(3R)-3-hydroxymyristoyl-[acyl-carrier-protein] dehydratase activity
A	0008693	molecular_function	(3R)-3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase activity
A	0016829	molecular_function	lyase activity
A	0016853	molecular_function	isomerase activity
A	0019171	molecular_function	(3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity
A	0034017	molecular_function	trans-2-decenoyl-acyl-carrier-protein isomerase activity
A	0042803	molecular_function	protein homodimerization activity
A	0047450	molecular_function	(3R)-3-hydroxybutanoyl-[acyl-carrier-protein] hydratase activity
A	0047451	molecular_function	(3R)-3-hydroxyoctanoyl-[acyl-carrier-protein] dehydratase activity
B	0004317	molecular_function	(3R)-3-hydroxypalmitoyl-[acyl-carrier-protein] dehydratase activity
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	0008659	molecular_function	(3R)-3-hydroxymyristoyl-[acyl-carrier-protein] dehydratase activity
B	0008693	molecular_function	(3R)-3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase activity
B	0016829	molecular_function	lyase activity
B	0016853	molecular_function	isomerase activity
B	0019171	molecular_function	(3R)-hydroxyacyl-[acyl-carrier-protein] dehydratase activity
B	0034017	molecular_function	trans-2-decenoyl-acyl-carrier-protein isomerase activity
B	0042803	molecular_function	protein homodimerization activity
B	0047450	molecular_function	(3R)-3-hydroxybutanoyl-[acyl-carrier-protein] hydratase activity
B	0047451	molecular_function	(3R)-3-hydroxyoctanoyl-[acyl-carrier-protein] dehydratase activity
C	0006633	biological_process	fatty acid biosynthetic process
D	0006633	biological_process	fatty acid biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	23
Details	BINDING SITE FOR RESIDUE 1R3 A 201

Chain	Residue
A	HIS70
A	HOH356
A	HOH405
A	HOH408
A	HOH418
B	GLN27
B	GLY91
B	ARG104
B	ALA105
B	ARG137
B	HOH375
A	PHE71
C	ASP35
C	SER36
C	LEU37
C	HOH103
A	MET77
A	PRO78
A	GLY79
A	PHE113
A	THR114
A	GLY115
A	GLN116

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site_id	AC2
Number of Residues	22
Details	BINDING SITE FOR RESIDUE 1R3 B 201

Chain	Residue
A	GLN27
A	TRP87
A	GLY103
A	ARG104
A	ALA105
A	HOH347
B	HIS70
B	PHE71
B	MET77
B	PRO78
B	GLY79
B	PHE113
B	THR114
B	GLY115
B	GLN116
B	TYR155
B	HOH308
B	HOH328
B	HOH395
D	ASP35
D	SER36
D	LEU37

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Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
C	ASP31-LEU46

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	ACT_SITE: ACT_SITE => ECO:0000305|PubMed:21276098

Chain	Residue	Details
A	HIS70
B	HIS70

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	5
Details	M-CSA 10

Chain	Residue	Details
A	HIS70	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	VAL76	activator, electrostatic stabiliser, hydrogen bond acceptor
A	GLY79	electrostatic stabiliser, hydrogen bond donor
A	CYS80	electrostatic stabiliser, hydrogen bond donor
A	ASP84	hydrogen bond donor, proton acceptor, proton donor

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site_id	MCSA2
Number of Residues	5
Details	M-CSA 10

Chain	Residue	Details
B	HIS70	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	VAL76	activator, electrostatic stabiliser, hydrogen bond acceptor
B	GLY79	electrostatic stabiliser, hydrogen bond donor
B	CYS80	electrostatic stabiliser, hydrogen bond donor
B	ASP84	hydrogen bond donor, proton acceptor, proton donor

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