5IJD

The crystal structure of mouse TLR4/MD-2/lipid A complex

Replaces:  5HG6

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D (A, B)	Toll-like receptor 4, Variable lymphocyte receptor B chimera	polymer	594	67280.7	2	UniProt (Q9QUK6) UniProt (Q4G1L2) Pfam (PF13855) Pfam (PF11921)	Mus musculus (Mouse)
2	B, C (C, D)	Lymphocyte antigen 96	polymer	150	17392.8	2	UniProt (Q9JHF9)	Mus musculus (Mouse)	Ly-96, ESOP-1, Protein MD-2
3	E, F, G, H, I... (E, F, G, H, I...)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	7	In PDB GlyTouCan (G42666HT)
4	L, M, N, S, X (A, C, D, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	5	Chemie (NAG)
5	O, T (C, D)	2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-beta-D-glucopyranose	non-polymer		711.9	2	Chemie (LP4)
6	P, U (C, D)	(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	2	Chemie (LP5)
7	Q, V (C, D)	LAURIC ACID	non-polymer		200.3	2	Chemie (DAO)
8	R, W (C, D)	MYRISTIC ACID	non-polymer		228.4	2	Chemie (MYR)
9	AA, BA, Y, Z (D, B, A, C)	water	water		18.0	232	Chemie (HOH)

Sequence modifications

A, B: 26 - 544 (UniProt: Q9QUK6)
A, B: 545 - 619 (UniProt: Q4G1L2)
C, D: 19 - 160 (UniProt: Q9JHF9)

PDB	External Database	Details
Lys 161	-	cloning artifact
Gly 162	-	cloning artifact
Glu 163	-	cloning artifact
Asn 164	-	cloning artifact
Leu 165	-	cloning artifact
Tyr 166	-	cloning artifact
Phe 167	-	cloning artifact
Gln 168	-	cloning artifact

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	169347.0
Branched	Number of molecules	7
	Total formula weight	2970.8
Non-Polymers*	Number of molecules	13
	Total formula weight	4810.9
All*	Total formula weight	177128.7

*Water molecules are not included.