3SYS

Improved crystal structure of Pseudomonas aeruginosa OccK1 (OpdK)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Vanillate porin OpdK	polymer	398	43936.5	2	UniProt (Q9HUR5) Pfam (PF03573) In PDB	Pseudomonas aeruginosa
2	A, B	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
3	B, A	(HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE	non-polymer		306.4	29	Chemie (C8E)
4	B, A	4-HYDROXY-3-METHOXYBENZOATE	non-polymer		167.1	4	Chemie (VNL)
5		water	water		18.0	667	Chemie (HOH)

Sequence modifications

A, B: 1 - 390 (UniProt: Q9HUR5)

PDB	External Database	Details
Gly 391	-	expression tag
Gly 392	-	expression tag
His 393	-	expression tag
His 394	-	expression tag
His 395	-	expression tag
His 396	-	expression tag
His 397	-	expression tag
His 398	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	87873.0
Non-Polymers*	Number of molecules	37
	Total formula weight	9803.5
All*	Total formula weight	97676.5

*Water molecules are not included.