30EG

2-heptyl-4(1H)-quinolone synthase PqsBC in complex with D3

This is a non-PDB format compatible entry.

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 (A, C, E)	2-heptyl-4(1H)-quinolone synthase subunit PqsC	polymer	365	40353.8	3	UniProt (Q9I4X1)	Pseudomonas aeruginosa PAO1
2	B, D, F, H (B, D, F, H)	2-heptyl-4(1H)-quinolone synthase subunit PqsB	polymer	283	30531.8	4	UniProt (Q9I4X2)	Pseudomonas aeruginosa PAO1
3	G (G)	2-heptyl-4(1H)-quinolone synthase subunit PqsC	polymer	365	40369.8	1	UniProt (Q9I4X1)	Pseudomonas aeruginosa PAO1
4	I, K (A, C)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5	J, L, M (A, C, E)	(2~{S})-2-[(1~{S})-1-oxidanylhex-5-ynyl]undec-10-enal	non-polymer		264.4	3	Chemie (A1J5X)
6	N, O, P, Q, R... (A, B, C, D, E...)	water	water		18.0	532	Chemie (HOH)

Sequence modifications

A, C, E: 1 - 348 (UniProt: Q9I4X1)

PDB	External Database	Details
Met -16	-	initiating methionine
Gly -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Ala -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag

G: 1 - 348 (UniProt: Q9I4X1)

PDB	External Database	Details
Met -16	-	initiating methionine
Gly -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Ala -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	283558.4
Non-Polymers*	Number of molecules	5
	Total formula weight	917.3
All*	Total formula weight	284475.7

*Water molecules are not included.