6PH9

Crystal Structure of the Klebsiella pneumoniae LpxH-lipid X complex

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	UDP-2,3-diacylglucosamine hydrolase	polymer	260	29726.8	1	UniProt (A0A1S0WIC1) Pfam (PF00149) UniProt (by SIFTS) (A6T5R0)	Klebsiella pneumoniae	UDP-2,3-diacylglucosamine diphosphatase
2	B, C, D, E (A)	MANGANESE (II) ION	non-polymer		54.9	4	Chemie (MN)
3	F (A)	(R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE	non-polymer		711.9	1	Chemie (LP5)
4	G, H (A)	TETRAETHYLENE GLYCOL	non-polymer		194.2	2	Chemie (PG4)
5	I (A)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
6	J (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
7	K (A)	water	water		18.0	205	Chemie (HOH)

Sequence modifications

A: 0 - 240 (UniProt: A0A1S0WIC1)

PDB	External Database	Details
Val 1	-	insertion
Leu 241	-	expression tag
Glu 242	-	expression tag
Glu 243	-	expression tag
Asn 244	-	expression tag
Leu 245	-	expression tag
Tyr 246	-	expression tag
Phe 247	-	expression tag
Gln 248	-	expression tag
Ser 249	-	expression tag
His 250	-	expression tag
His 251	-	expression tag
His 252	-	expression tag
His 253	-	expression tag
His 254	-	expression tag
His 255	-	expression tag
His 256	-	expression tag
His 257	-	expression tag
His 258	-	expression tag
His 259	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	29726.8
Non-Polymers*	Number of molecules	9
	Total formula weight	1422.2
All*	Total formula weight	31149.0

*Water molecules are not included.