2Z64: Mouse TLR4 and mouse MD-2 complex

Crystal structure of mouse TLR4 and mouse MD-2 complex. Determined by X-ray diffraction at 2.84 Å resolution. Released 18 Sept 2007.

Method: X-ray diffraction
Resolution: 2.84 Å
Organism: Mus musculus
Chains: 2
Atoms: 6,302
Mol. weight: 87.78 kDa
Ligands: NAG
Released: 18 Sept 2007

Explore 2Z64 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

2Z64 contains 16 α-helices and 57 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 14 helices, 46 β-strands

Element	Residues	Length	Sheet
β-strand	29-32	4	1
β-strand	36-38	3	1
β-strand	57-59	3	1
β-strand	67-68	2	2
β-strand	81-83	3	1
β-strand	91-92	2	2
β-strand	105-107	3	1
β-strand	129-131	3	1
β-strand	153-155	3	1
α-helix	168-171	4
β-strand	178-180	3	1
β-strand	188-189	2	3
β-strand	206-208	3	1
β-strand	216-217	2	3
β-strand	225-233	9	1
α-helix	239-248	10
β-strand	252-260	9	1
α-helix	273-276	4
β-strand	283-289	7	1
α-helix	299-301	3
α-helix	303-305	3
β-strand	310-314	5	1
β-strand	332-336	5	1
β-strand	353-357	5	1
β-strand	359	1	4
β-strand	364	1	5
β-strand	375-377	3	1
β-strand	381	1	4
β-strand	384	1	5
β-strand	385-388	4	6
α-helix	391-394	4
β-strand	401-403	3	1
β-strand	409-412	4	6
β-strand	424-426	3	1
β-strand	431-433	3	6
β-strand	449-451	3	1
β-strand	458-459	2	7
β-strand	473-475	3	1
β-strand	480-481	2	7
α-helix	482-484	3
β-strand	485-486	2	8
β-strand	498-500	3	1
β-strand	508-509	2	8
β-strand	522-524	3	1
β-strand	532-534	3	9
α-helix	535-537	3
β-strand	546-548	3	1
β-strand	556-558	3	9
α-helix	561-563	3
β-strand	570-572	3	1
β-strand	578	1	10
α-helix	582-584	3
α-helix	585-593	9
α-helix	595-597	3
β-strand	598	1	1
α-helix	601-603	3
β-strand	605	1	11
β-strand	606	1	10
β-strand	615	1	11
α-helix	616-618	3

Chain C: 2 helices, 11 β-strands

Element	Residues	Length	Sheet
β-strand	23-26	4	12
β-strand	31-36	6	12
β-strand	47-49	3	13
α-helix	51-53	3
β-strand	57-65	9	13
β-strand	74-80	7	12
β-strand	81-82	2	14
β-strand	85-86	2	14
β-strand	90-93	4	12
α-helix	103-106	4
β-strand	113-121	9	13
β-strand	130-139	10	12
β-strand	145-154	10	12

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Toll-like receptor 4	A	protein	599	Mus musculus	Q9QUK6 (AlphaFold model)
Lymphocyte antigen 96	C	protein	135	Mus musculus	Q9JHF9 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>2Z64_1 Toll-like receptor 4 (chains A)
PCIEVVPNITYQCMDQKLSKVPDDIPSSTKNIDLSFNPLKILKSYSFSNFSELQWLDLSR
CEIETIEDKAWHGLHHLSNLILTGNPIQSFSPGSFSGLTSLENLVAVETKLASLESFPIG
QLITLKKLNVAHNFIHSCKLPAYFSNLTNLVHVDLSYNYIQTITVNDLQFLRENPQVNLS
LDMSLNPIDFIQDQAFQGIKLHELTLRGNFNSSNIMKTCLQNLAGLHVHRLILGEFKDER
NLEIFEPSIMEGLCDVTIDEFRLTYTNDFSDDIVKFHCLANVSAMSLAGVSIKYLEDVPK
HFKWQSLSIIRCQLKQFPTLDLPFLKSLTLTMNKGSISFKKVALPSLSYLDLSRNALSFS
GCCSYSDLGTNSLRHLDLSFNGAIIMSANFMGLEELQHLDFQHSTLKRVTEFSAFLSLEK
LLYLDISYTNTKIDFDGIFLGLTSLNTLKMAGNSFKDNTLSNVFANTTNLTFLDLSKCQL
EQISWGVFDTLHRLQLLNMSHNNLLFLDSSHYNQLYSLSTLDCSFNRIETSKGILQHFPK
SLAFFNLTNNSVACICEHQKFLQWVKEQKQFLVNVEQMTCATPVEMNTSLVLDFNNSTC

Sequence of entity 2 (C), FASTA

>2Z64_2 Lymphocyte antigen 96 (chains C)
QQWFCNSSDAIISYSYCDHLKFPISISSEPCIRLRGTNGFVHVEFIPRGNLKYLYFNLFI
SVNSIELPKRKEVLCHGHDDDYSFCRALKGETVNTSIPFSFEGILFPKGHYRCVAEAIAG
DTEEKLFCLNFTIIH

Ligands and cofactors

ID	Name	Formula	Copies
NAG	2-acetamido-2-deoxy-beta-D-glucopyranose	C8 H15 N O6	9

Primary citation

Crystal Structure of the TLR4-MD-2 Complex with Bound Endotoxin Antagonist Eritoran. Kim, H.M., Park, B.S., Kim, J.-I. et al. Cell (2007) 130:906-917. DOI 10.1016/j.cell.2007.08.002 · PubMed

Other PDB entries of the same protein (UniProt Q9QUK6 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7MLM 2.1 Å, Crystal structure of mouse TLR4/MD-2 in complex with sulfatides
3VQ2 2.48 Å, Crystal structure of mouse TLR4/MD-2/LPS complex
5IJC 2.57 Å, The crystal structure of mouse TLR4/MD-2/neoseptin-3 complex
8WQT 2.6 Å, Cryo-EM Structure of Mouse TLR4/MD-2/DLAM1 complex
8WRY 2.6 Å, Cryo-EM Structure of Mouse TLR4/MD-2/DLAM3 Complex
3VQ1 2.7 Å, Crystal structure of mouse TLR4/MD-2/lipid IVa complex
5IJD 2.7 Å, The crystal structure of mouse TLR4/MD-2/lipid A complex
5IJB 2.91 Å, The ligand-free structure of the mouse TLR4/MD-2 complex
8WSA 3.1 Å, Cryo-EM Structure of Mouse TLR4/MD-2/DLAM5 Complex

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