4X6E: CD1a binary complex with lysophosphatidylcholine

CD1a binary complex with lysophosphatidylcholine. Determined by X-ray diffraction at 2.1 Å resolution. Released 28 Jan 2015.

Method: X-ray diffraction
Resolution: 2.1 Å
Organism: Homo sapiens
Chains: 2
Atoms: 3,147
Mol. weight: 45.19 kDa
Ligands: 42H, MLT
Released: 28 Jan 2015

Explore 4X6E in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4X6E contains 14 α-helices and 30 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: 11 helices, 19 β-strands

Element	Residues	Length	Sheet
β-strand	10-17	8	1
β-strand	25-32	8	1
β-strand	35-41	7	1
β-strand	46-49	4	1
α-helix	52-55	4
α-helix	60-84	25
α-helix	91	1
β-strand	95-102	8	1
β-strand	112-118	7	1
β-strand	121-127	7	1
β-strand	130-133	4	1
α-helix	139-148	10
α-helix	152-160	9
α-helix	161-165	5
α-helix	166-181	16
β-strand	185	1	2
β-strand	188-193	6	3
α-helix	197-198	2
β-strand	201-211	11	3
β-strand	212	1	2
β-strand	217-222	6	4
β-strand	225-226	2	4
β-strand	231-232	2	3
β-strand	236-237	2	3
β-strand	243-252	10	3
α-helix	253-255	3
β-strand	259-264	6	4
α-helix	266-268	3
β-strand	273-276	4	4
α-helix	279-281	3

Chain B: 3 helices, 11 β-strands

Element	Residues	Length	Sheet
β-strand	3	1	5
α-helix	4-5	2
β-strand	6-11	6	6
β-strand	21-30	10	6
β-strand	31	1	5
β-strand	36-41	6	7
β-strand	44-45	2	7
α-helix	46	1
β-strand	50-51	2	6
α-helix	52-54	3
β-strand	55-56	2	6
β-strand	62-70	9	6
β-strand	78-83	6	7
β-strand	91-94	4	7

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
T-cell surface glycoprotein CD1a	A	protein	281	Homo sapiens	P06126 (AlphaFold model)
Beta-2-microglobulin	B	protein	105	Homo sapiens	P61769 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4X6E_1 T-cell surface glycoprotein CD1a (chains A)
LKEPLSFHVIWIASFYNHSWKQNLVSGWLSDLQTHTWDSNSSTIVFLWPWSRGNFSNEEW
KELETLFRIRTIRSFEGIRRYAHELQFEYPFEIQVTGGCELHSGKVSGSFLQLAYQGSDF
VSFQNNSWLPYPVAGNMAKHFCKVLNQNQHENDITHNLLSDTCPRFILGLLDAGKAHLQR
QVKPEAWLSHGPSPGPGHLQLVCHVSGFYPKPVWVMWMRGEQEQQGTQRGDILPSADGTW
YLRATLEVAAGEAADLSCRVKHSSLEGQDIVLYWEGSLVPR

Sequence of entity 2 (B), FASTA

>4X6E_2 Beta-2-microglobulin (chains B)
IQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDW
SFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDMGSLVPR

Ligands and cofactors

ID	Name	Formula	Copies
42H	(4R,7R,18Z)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos…	C26 H53 N O7 P	1
MLT	D-malate	C4 H6 O5	1

Primary citation

alpha beta T cell antigen receptor recognition of CD1a presenting self lipid ligands. Birkinshaw, R.W., Pellicci, D.G., Cheng, T.Y. et al. Nat Immunol (2015) 16:258-266. DOI 10.1038/ni.3098 · PubMed

Other PDB entries of the same protein (UniProt P06126 (AlphaFold model), which also has an AlphaFold model), best resolution first:

5J1A 1.86 Å, Antigen presenting molecule
4X6F 1.91 Å, CD1a binary complex with sphingomyelin
7SH4 2.0 Å, CD1a-phosphatidylglycerol binary structure
7KP1 2.02 Å, CD1a-42:2 SM binary complex
9OHZ 2.14 Å, Crystal structure of CD1a presenting ganglioside GD3
1ONQ 2.15 Å, Crystal Structure of CD1a in Complex with a Sulfatide
6NUX 2.2 Å, CD1a-lipid binary complex
7KOZ 2.25 Å, CD1a-36:2 SM binary complex
7KP0 2.4 Å, CD1a-42:1 SM binary complex
7RYN 2.7 Å, CD1a-sulfatide-gdTCR complex
1XZ0 2.8 Å, Crystal structure of CD1a in complex with a synthetic mycobactin lipopeptide
4X6C 2.8 Å, CD1a ternary complex with lysophosphatidylcholine and BK6 TCR

Browse structure collections

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