6FDU

Structure of Chlamydia trachomatis effector protein Cdu1 bound to Compound 3

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Deubiquitinase and deneddylase Dub1	polymer	266	30534.4	2	UniProt (B0B9A0) Pfam (PF02902) In PDB	Chlamydia trachomatis serovar L2 (strain 434/Bu / ATCC VR-902B)	ChlaDub1
2	A, B	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
3	B	(2~{S},3~{S})-2-[[(2~{S})-2-[3,5-bis(chloranyl)phenyl]-2-(dimethylamino)ethanoyl]amino]-~{N}-[[2-(iminomethyl)pyrimidin-4-yl]methyl]-3-methyl-pentanamide	non-polymer		479.4	1	Chemie (D5W)
4		water	water		18.0	146	Chemie (HOH)

Sequence modifications

A, B: 155 - 401 (UniProt: B0B9A0)

PDB	External Database	Details
Met 136	-	initiating methionine
Lys 137	-	expression tag
His 138	-	expression tag
His 139	-	expression tag
His 140	-	expression tag
His 141	-	expression tag
His 142	-	expression tag
His 143	-	expression tag
Ser 144	-	expression tag
Ala 145	-	expression tag
Gly 146	-	expression tag
Leu 147	-	expression tag
Glu 148	-	expression tag
Val 149	-	expression tag
Leu 150	-	expression tag
Phe 151	-	expression tag
Gln 152	-	expression tag
Gly 153	-	expression tag
Pro 154	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	61068.7
Non-Polymers*	Number of molecules	3
	Total formula weight	550.3
All*	Total formula weight	61619.0

*Water molecules are not included.