3A79: TLR2-TLR6-Pam2CSK4 complex

Crystal structure of TLR2-TLR6-Pam2CSK4 complex. Determined by X-ray diffraction at 2.9 Å resolution. Released 24 Nov 2009.

Method: X-ray diffraction
Resolution: 2.9 Å
Organisms: Mus musculus, Eptatretus burgeri, synthetic construct
Chains: 3
Atoms: 8,906
Mol. weight: 134.74 kDa
Ligands: NAG, PXS
Released: 24 Nov 2009

Explore 3A79 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

3A79 contains 28 α-helices and 67 β-strands across 3 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: 17 helices, 34 β-strands

Element	Residues	Length	Sheet
β-strand	35-37	3	1
β-strand	56-58	3	1
β-strand	66-67	2	2
β-strand	80-82	3	1
β-strand	90-91	2	2
β-strand	104-106	3	1
β-strand	128-130	3	1
β-strand	153-158	6	1
β-strand	164-165	2	3
β-strand	175-183	9	1
β-strand	188-189	2	3
β-strand	199-206	8	1
β-strand	209	1	4
α-helix	210-212	3
α-helix	213-219	7
β-strand	224	1	1
β-strand	226-230	5	1
β-strand	233	1	4
β-strand	253-256	4	1
β-strand	260-262	3	4
α-helix	263-269	7
α-helix	270-274	5
β-strand	281-284	4	1
β-strand	288-290	3	4
α-helix	299-304	6
β-strand	311-315	5	1
β-strand	318	1	4
α-helix	322-324	3
β-strand	326	1	5
α-helix	329-331	3
β-strand	340-344	5	1
α-helix	353-358	6
β-strand	364-366	3	1
α-helix	374-380	7
β-strand	391-393	3	1
α-helix	402-408	7
α-helix	409-411	3
β-strand	417-419	3	1
α-helix	425-428	4
β-strand	440-442	3	1
β-strand	461-463	3	1
β-strand	481-483	3	1
α-helix	492-494	3
β-strand	503-505	3	6
α-helix	514-515	2
β-strand	527-529	3	6
α-helix	543-551	9
α-helix	559-560	2
β-strand	561	1	7
α-helix	562	1
β-strand	568	1	7

Chain B: 11 helices, 32 β-strands

Element	Residues	Length	Sheet
β-strand	35-37	3	8
β-strand	56-58	3	8
α-helix	69-71	3
β-strand	80-82	3	8
β-strand	90-91	2	9
β-strand	104-106	3	8
β-strand	114-115	2	9
β-strand	125-127	3	8
β-strand	135	1	10
α-helix	140-144	5
β-strand	150-154	5	8
β-strand	157	1	10
α-helix	164-166	3
β-strand	171-178	8	8
β-strand	190-193	4	11
α-helix	194-195	2
β-strand	196-203	8	8
β-strand	214-217	4	11
β-strand	220-229	10	8
α-helix	235-246	12
β-strand	252-261	10	8
α-helix	263-273	11
β-strand	278-288	11	8
β-strand	306-314	9	8
α-helix	321-329	9
β-strand	335-339	5	8
α-helix	347-349	3
β-strand	357-359	3	8
β-strand	381-383	3	8
β-strand	391	1	12
α-helix	394-397	4
β-strand	407-409	3	8
β-strand	416	1	12
β-strand	432-434	3	8
α-helix	442-445	4
β-strand	454-456	3	8
β-strand	477-479	3	8
β-strand	502-503	2	8
β-strand	509	1	13
α-helix	513-525	13
β-strand	530-531	2	8
β-strand	537	1	8
β-strand	544	1	13

Chain C: 0 helices, 1 β-strand

Element	Residues	Length	Sheet
β-strand	12	1	5

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Toll-like receptor 2, Variable lymphocyte receptor B	A	protein	580	Mus musculus, Eptatretus burgeri	Q4G1L2 (AlphaFold model), Q9QUN7 (AlphaFold model)
Toll-like receptor 6, Variable lymphocyte receptor B	B	protein	562	Mus musculus, Eptatretus burgeri	Q4G1L3 (AlphaFold model), Q9EPW9 (AlphaFold model)
Pam2CSK4	C	protein	6	synthetic construct

Sequence of entity 1 (A), FASTA

>3A79_1 Toll-like receptor 2, Variable lymphocyte receptor B (chains A)
MLRALWLFWILVAITVLFSKRCSAQESLSCDASGVCDGRSRSFTSIPSGLTAAMKSLDLS
FNKITYIGHGDLRACANLQVLILKSSRINTIEGDAFYSLGSLEHLDLSDNHLSSLSSSWF
GPLSSLKYLNLMGNPYQTLGVTSLFPNLTNLQTLRIGNVETFSEIRRIDFAGLTSLNELE
IKALSLRNYQSQSLKSIRDIHHLTLHLSESAFLLEIFADILSSVRYLELRDTNLARFQFS
PLPVDEVSSPMKKLAFRGSVLTDESFNELLKLLRYILELSEVEFDDCTLNGLGDFNPSES
DVVSELGKVETVTIRRLHIPQFYLFYDLSTVYSLLEKVKRITVENSKVFLVPCSFSQHLK
SLEFLDLSENLMVEEYLKNSACKGAWPSLQTLVLSQNHLRSMQKTGEILLTLKNLTSLDI
SRNTFHPMPDSCQWPEKMRFLNLSSTGIRVVKTCIPQTLEVLDVSNNNLDSFSLFLPRLQ
ELYISRNKLKTLPDASLFPVLLVMKIASNQLKSVPDGIFDRLTSLQKIWLHTNPWDCSCP
RIDYLSRWLNKNSQKEQGSAKCSGSGKPVRSIICPTLVPR

Sequence of entity 2 (B), FASTA

>3A79_2 Toll-like receptor 6, Variable lymphocyte receptor B (chains B)
MSQDRKPIVGSFHFVCALALIVGSMTPFSNELESMVDYSNRNLTHVPKDLPPRTKALSLS
QNSISELRMPDISFLSELRVLRLSHNRIRSLDFHVFLFNQDLEYLDVSHNRLQNISCCPM
ASLRHLDLSFNDFDVLPVCKEFGNLTKLTFLGLSAAKFRQLDLLPVAHLHLSCILLDLVS
YHIKGGETESLQIPNTTVLHLVFHPNSLFSVQVNMSVNALGHLQLSNIKLNDENCQRLMT
FLSELTRGPTLLNVTLQHIETTWKCSVKLFQFFWPRPVEYLNIYNLTITERIDREEFTYS
ETALKSLMIEHVKNQVFLFSKEALYSVFAEMNIKMLSISDTPFIHMVCPPSPSSFTFLNF
TQNVFTDSVFQGCSTLKRLQTLILQRNGLKNFFKVALMTKNMSSLETLDVSLNSLNSHAY
DRTCAWAESILVLNLSSNMLTGSVFRCLPPKVKVLDLHNNRIMSIPKDVTHLQALQELNV
ASNQLKSVPDGVFDRLTSLQYIWLHDNPWDCTCPGIRYLSEWINKHSGVVRNSAGSVAPD
SAKCSGSGKPVRSIICPTLVPR

Sequence of entity 3 (C), FASTA

>3A79_3 Pam2CSK4 (chains C)
CSKKKK

Ligands and cofactors

ID	Name	Formula	Copies
NAG	2-acetamido-2-deoxy-beta-D-glucopyranose	C8 H15 N O6	5
PXS	(2S)-propane-1,2-diyl dihexadecanoate	C35 H68 O4	1

Primary citation

Recognition of lipopeptide patterns by Toll-like receptor 2-Toll-like receptor 6 heterodimer. Kang, J.Y., Nan, X., Jin, M.S. et al. Immunity (2009) 31:873-884. DOI 10.1016/j.immuni.2009.09.018 · PubMed

Other PDB entries of the same protein (UniProt Q4G1L2 (AlphaFold model), which also has an AlphaFold model), best resolution first:

2Z62 1.7 Å, Crystal structure of the TV3 hybrid of human TLR4 and hagfish VLRB.61
2Z66 1.9 Å, Crystal structure of the VT3 hybrid of human TLR4 and hagfish VLRB.61
2Z63 2.0 Å, Crystal structure of the TV8 hybrid of human TLR4 and hagfish VLRB.61
5GY2 2.1 Å, Crystal structure of a complex between Bacillus subtilis flagellin and zebrafish…
7MLM 2.1 Å, Crystal structure of mouse TLR4/MD-2 in complex with sulfatides
4QXE 2.2 Å, Crystal structure of LGR4 fused with hagfish VLR
4QXF 2.25 Å, crystal structure of human LGR4 and Rspo1
6BXA 2.3 Å, Crystal structure of N-terminal fragment of Zebrafish Toll-Like Receptor 5 (TLR5) with…
2O6R 2.3 Å, Structural diversity of the hagfish Variable Lymphocyte Receptors B61
4BV4 2.35 Å, Structure and allostery in Toll-Spatzle recognition
3UL7 2.37 Å, Crystal structure of the TV3 mutant F63W
4QDH 2.4 Å, Crystal Structure of the C-terminal Domain of Mouse TLR9

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