5IJC

The crystal structure of mouse TLR4/MD-2/neoseptin-3 complex

Replaces:  5HG4

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C (A, B)	Toll-like receptor 4,Variable lymphocyte receptor B	polymer	635	71649.8	2	UniProt (Q9QUK6) UniProt (Q4G1L2) Pfam (PF13855) Pfam (PF11921)	Mus musculus (Mouse)
2	B, D (C, D)	Lymphocyte antigen 96	polymer	191	21761.9	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	5	In PDB GlyTouCan (G42666HT)
4	J, K, L, M, O... (A, C, B, D)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	11	Chemie (NAG)
5	N, P, Q, V (A, B, D)	neoseptin 3	non-polymer		474.6	4	Chemie (V2A)
6	AA, BA, Y, Z (B, D, A, C)	water	water		18.0	213	Chemie (HOH)

Sequence modifications

A, B: 26 - 544 (UniProt: Q9QUK6)

PDB	External Database	Details
Met -15	-	expression tag
Leu -14	-	expression tag
Leu -13	-	expression tag
Val -12	-	expression tag
Asn -11	-	expression tag
Gln -10	-	expression tag
Ser -9	-	expression tag
His -8	-	expression tag
Gln -7	-	expression tag
Gly -6	-	expression tag
Phe -5	-	expression tag
Asn -4	-	expression tag
Lys -3	-	expression tag
Glu -2	-	expression tag
His -1	-	expression tag
Thr 0	-	expression tag
Ser 1	-	expression tag
Lys 2	-	expression tag
Met 3	-	expression tag
Val 4	-	expression tag
Ser 5	-	expression tag
Ala 6	-	expression tag
Ile 7	-	expression tag
Val 8	-	expression tag
Leu 9	-	expression tag
Tyr 10	-	expression tag
Val 11	-	expression tag
Leu 12	-	expression tag
Leu 13	-	expression tag
Ala 14	-	expression tag
Ala 15	-	expression tag
Ala 16	-	expression tag
Ala 17	-	expression tag
His 18	-	expression tag
Ser 19	-	expression tag
Ala 20	-	expression tag
Phe 21	-	expression tag
Ala 22	-	expression tag
Ala 23	-	expression tag
Asp 24	-	expression tag
Pro 25	-	expression tag

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

PDB	External Database	Details
Met -22	-	expression tag
Leu -21	-	expression tag
Leu -20	-	expression tag
Val -19	-	expression tag
Asn -18	-	expression tag
Gln -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
Gln -14	-	expression tag
Gly -13	-	expression tag
Phe -12	-	expression tag
Asn -11	-	expression tag
Lys -10	-	expression tag
Glu -9	-	expression tag
His -8	-	expression tag
Thr -7	-	expression tag
Ser -6	-	expression tag
Lys -5	-	expression tag
Met -4	-	expression tag
Val -3	-	expression tag
Ser -2	-	expression tag
Ala -1	-	expression tag
Ile 0	-	expression tag
Val 1	-	expression tag
Leu 2	-	expression tag
Tyr 3	-	expression tag
Val 4	-	expression tag
Leu 5	-	expression tag
Leu 6	-	expression tag
Ala 7	-	expression tag
Ala 8	-	expression tag
Ala 9	-	expression tag
Ala 10	-	expression tag
His 11	-	expression tag
Ser 12	-	expression tag
Ala 13	-	expression tag
Phe 14	-	expression tag
Ala 15	-	expression tag
Ala 16	-	expression tag
Asp 17	-	expression tag
Pro 18	-	expression tag
Lys 161	-	expression tag
Gly 162	-	expression tag
Glu 163	-	expression tag
Asn 164	-	expression tag
Leu 165	-	expression tag
Tyr 166	-	expression tag
Phe 167	-	expression tag
Gln 168	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	186823.2
Branched	Number of molecules	5
	Total formula weight	2122.0
Non-Polymers*	Number of molecules	15
	Total formula weight	4331.7
All*	Total formula weight	193276.9

*Water molecules are not included.