8ALK

Structure of the Legionella phosphocholine hydrolase Lem3 in complex with its substrate Rab1

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Phosphocholine hydrolase Lem3	polymer	469	52900.6	1	UniProt (Q5ZXN5) In PDB	Legionella pneumophila	Dephosphocholinase Lem3
2	B	Ras-related protein Rab-1B	polymer	175	19725.4	1	UniProt (Q9H0U4) Pfam (PF00071) In PDB	Homo sapiens (human)
3	A, B	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
4	B	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	1	Chemie (GDP)
5	B	2-[[[5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxyethyl-[3-(2-chloranylethanoylamino)propyl]-dimethyl-azanium	non-polymer		608.9	1	Chemie (OJU)
6		water	water		18.0	76	Chemie (HOH)

Sequence modifications

A: 21 - 486 (UniProt: Q5ZXN5)

PDB	External Database	Details
Gly 18	-	expression tag
His 19	-	expression tag
Met 20	-	expression tag
Ser 134	Cys 134	engineered mutation
Ser 209	Cys 209	engineered mutation
Cys 391	Thr 391	engineered mutation
Ser 456	Cys 456	engineered mutation

B: 3 - 174 (UniProt: Q9H0U4)

PDB	External Database	Details
Gly 0	-	expression tag
Pro 1	-	expression tag
Met 2	-	expression tag
Thr 76	Ser 76	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	72626.0
Non-Polymers*	Number of molecules	6
	Total formula weight	1212.4
All*	Total formula weight	73838.4

*Water molecules are not included.