5VWM

Crystal structure of UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase (LpxC) from Pseudomonas aeruginosa in complex with CHIR-090 inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	UDP-3-O-acyl-N-acetylglucosamine deacetylase	polymer	400	44696.6	1	UniProt (P47205) Pfam (PF03331) In PDB	Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)	UDP-3-O-acyl-GlcNAc deacetylase,UDP-3-O-[R-3-hydroxymyristoyl]-N-acetylglucosamine deacetylase
2	A	N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}-4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide	non-polymer		437.5	1	Chemie (C90)
3	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
4	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5	A	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
6	A	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
7		water	water		18.0	359	Chemie (HOH)

Sequence modifications

A: 1 - 303 (UniProt: P47205)

PDB	External Database	Details
Met -96	-	initiating methionine
Ser -95	-	expression tag
His -94	-	expression tag
His -93	-	expression tag
His -92	-	expression tag
His -91	-	expression tag
His -90	-	expression tag
His -89	-	expression tag
Ser -88	-	expression tag
Gly -87	-	expression tag
Glu -86	-	expression tag
Val -85	-	expression tag
Lys -84	-	expression tag
Pro -83	-	expression tag
Glu -82	-	expression tag
Val -81	-	expression tag
Lys -80	-	expression tag
Pro -79	-	expression tag
Glu -78	-	expression tag
Thr -77	-	expression tag
His -76	-	expression tag
Ile -75	-	expression tag
Asn -74	-	expression tag
Leu -73	-	expression tag
Lys -72	-	expression tag
Val -71	-	expression tag
Ser -70	-	expression tag
Asp -69	-	expression tag
Gly -68	-	expression tag
Ser -67	-	expression tag
Ser -66	-	expression tag
Glu -65	-	expression tag
Ile -64	-	expression tag
Phe -63	-	expression tag
Phe -62	-	expression tag
Lys -61	-	expression tag
Ile -60	-	expression tag
Lys -59	-	expression tag
Lys -58	-	expression tag
Thr -57	-	expression tag
Thr -56	-	expression tag
Pro -55	-	expression tag
Leu -54	-	expression tag
Arg -53	-	expression tag
Arg -52	-	expression tag
Leu -51	-	expression tag
Met -50	-	expression tag
Glu -49	-	expression tag
Ala -48	-	expression tag
Phe -47	-	expression tag
Ala -46	-	expression tag
Lys -45	-	expression tag
Arg -44	-	expression tag
Gln -43	-	expression tag
Gly -42	-	expression tag
Lys -41	-	expression tag
Glu -40	-	expression tag
Met -39	-	expression tag
Asp -38	-	expression tag
Ser -37	-	expression tag
Leu -36	-	expression tag
Arg -35	-	expression tag
Phe -34	-	expression tag
Leu -33	-	expression tag
Tyr -32	-	expression tag
Asp -31	-	expression tag
Gly -30	-	expression tag
Ile -29	-	expression tag
Arg -28	-	expression tag
Ile -27	-	expression tag
Gln -26	-	expression tag
Ala -25	-	expression tag
Asp -24	-	expression tag
Gln -23	-	expression tag
Thr -22	-	expression tag
Pro -21	-	expression tag
Glu -20	-	expression tag
Asp -19	-	expression tag
Leu -18	-	expression tag
Asp -17	-	expression tag
Met -16	-	expression tag
Glu -15	-	expression tag
Asp -14	-	expression tag
Asn -13	-	expression tag
Asp -12	-	expression tag
Ile -11	-	expression tag
Ile -10	-	expression tag
Glu -9	-	expression tag
Ala -8	-	expression tag
His -7	-	expression tag
Arg -6	-	expression tag
Glu -5	-	expression tag
Gln -4	-	expression tag
Ile -3	-	expression tag
Gly -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	44696.6
Non-Polymers*	Number of molecules	7
	Total formula weight	764.6
All*	Total formula weight	45461.3

*Water molecules are not included.