6T38

Pseudomonas aeruginosa RmlA in complex with allosteric inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Glucose-1-phosphate thymidylyltransferase	polymer	303	33664.1	4	UniProt (Q9HU22) Pfam (PF00483)	Pseudomonas aeruginosa PAO1
2	E, L, Q, U (A, B, C, D)	~{N}-[6-(4-azanylbutylamino)-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide	non-polymer		536.4	4	Chemie (MBK)
3	F, M (A, B)	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	2	Chemie (MES)
4	G (A)	BROMIDE ION	non-polymer		79.9	1	Chemie (BR)
5	H, I, J, K, N... (A, B, C, D)	CHLORIDE ION	non-polymer		35.5	14	Chemie (CL)
6	AA, BA, CA, Z (B, C, D, A)	water	water		18.0	246	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 293 (UniProt: Q9HU22)

PDB	External Database	Details
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
Met -1	-	expression tag
Ala 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	134656.5
Non-Polymers*	Number of molecules	21
	Total formula weight	3112.5
All*	Total formula weight	137769.0

*Water molecules are not included.