6ITC

Structure of a substrate engaged SecA-SecY protein translocation machine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Protein translocase subunit SecA	polymer	780	88916.2	1	UniProt (P28366) Pfam (PF07517) Pfam (PF01043) Pfam (PF21090) Pfam (PF07516) In PDB	Bacillus subtilis (strain 168)
2	Y	Protein translocase subunit SecY	polymer	424	46768.3	1	UniProt (A4IJK8) Pfam (PF00344) In PDB	Geobacillus thermodenitrificans (strain NG80-2)
3	E	Protein translocase subunit SecE	polymer	70	8249.6	1	UniProt (A4IJH4) Pfam (PF00584) In PDB	Geobacillus thermodenitrificans (strain NG80-2)
4	V	Nanobody	polymer	116	12919.5	1		Lama glama
5	B	Translocating peptide	polymer	59	6024.6	1	UniProt (by SIFTS) (P0A910) In PDB	Escherichia coli
6	G	Green fluorescent protein	polymer	238	26813.1	1	UniProt (P42212) Pfam (PF01353) In PDB	Aequorea victoria (Jellyfish)
7	C	Nanobody	polymer	112	12368.7	1		Lama glama
8	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
9	A	BERYLLIUM TRIFLUORIDE ION	non-polymer		66.0	1	Chemie (BEF)
10	A	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	1	Chemie (ADP)
11	Y	(1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE	non-polymer		749.0	2	Chemie (PGV)

Sequence modifications

Y: 1 - 430 (UniProt: A4IJK8)

PDB	External Database	Details
Cys 60	Gly 60	engineered mutation
Thr 202	Gln 202	engineered mutation
Gly 210	Glu 204	engineered mutation
Gly 211	Asn 205	engineered mutation
-	Val 206	deletion
-	Gly 207	deletion
-	Glu 208	deletion
-	Asp 209	deletion
-	Leu 210	deletion
-	Phe 211	deletion
Asn 213	Arg 213	engineered mutation

E: 1 - 60 (UniProt: A4IJH4)

PDB	External Database	Details
Gly 61	-	expression tag
Gly 62	-	expression tag
His 63	-	expression tag
His 64	-	expression tag
His 65	-	expression tag
His 66	-	expression tag
His 67	-	expression tag
His 68	-	expression tag
His 69	-	expression tag
His 70	-	expression tag

G: 1 - 238 (UniProt: P42212)

PDB	External Database	Details
Gys 66	Ser 65	chromophore
Gys 66	Tyr 66	chromophore
Gys 66	Gly 67	chromophore
Arg 80	Gln 80	engineered mutation
Ser 99	Phe 99	engineered mutation
Thr 153	Met 153	engineered mutation
Ala 163	Val 163	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	7
	Total formula weight	202060.0
Non-Polymers*	Number of molecules	5
	Total formula weight	2015.5
All*	Total formula weight	204075.6

*Water molecules are not included.