4I1O

Crystal structure of the Legionella pneumophila GAP domain of LepB in complex with Rab1b bound to GDP and BeF3

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E, G (A, C, E, G)	Ras-related protein Rab-1B	polymer	181	20482.2	4	UniProt (Q9H0U4) Pfam (PF00071)	Homo sapiens (human)
2	B, D, F, H (B, D, F, H)	LepB	polymer	302	34131.9	4	UniProt (Q5ZSM7) Pfam (PF18172) Pfam (PF18227)	Legionella pneumophila subsp. pneumophila
3	I, M, T, W (A, C, E, G)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG) PubChem (888)
4	J, N, U, X (A, C, E, G)	GUANOSINE-5'-DIPHOSPHATE	non-polymer		443.2	4	Chemie (GDP) PubChem (136073927) PubChem (135398619) PubChem (135402030) PubChem (135431654) PubChem (135566337) PubChem (135760556) PubChem (136026707) PubChem (136053418) PubChem (136663964) PubChem (136664748) PubChem (136759848) PubChem (136759849) PubChem (136759850) PubChem (136836636) PubChem (136847074) PubChem (172898537)
5	K, O, V, Y (A, C, E, G)	BERYLLIUM TRIFLUORIDE ION	non-polymer		66.0	4	Chemie (BEF)
6	L, P, Q, R, S... (A, C, D, G)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	6	Chemie (PEG) PubChem (8117)
7	AA, BA, CA, DA, EA... (A, B, C, D, E...)	water	water		18.0	146	Chemie (HOH)

Sequence modifications

A, C, E, G: 3 - 174 (UniProt: Q9H0U4)

PDB	External Database	Details
Gly 0	-	expression tag
His 1	-	expression tag
Met 2	-	expression tag
Leu 175	-	expression tag
Glu 176	-	expression tag
Val 177	-	expression tag
Leu 178	-	expression tag
Phe 179	-	expression tag
Gln 180	-	expression tag

B, D, F, H: 317 - 618 (UniProt: Q5ZSM7)

PDB	External Database	Details
Ala 457	Lys 457	engineered mutation
Ala 458	Glu 458	engineered mutation
Ala 460	Lys 460	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	218456.6
Non-Polymers*	Number of molecules	18
	Total formula weight	2770.8
All*	Total formula weight	221227.4

*Water molecules are not included.