7Q1U: Hedgehog acyltransferase

Structure of Hedgehog acyltransferase (HHAT) in complex with megabody 177 bound to non-hydrolysable palmitoyl-CoA (Composite Map). Determined by electron microscopy at 2.7 Å resolution. Released 8 Jun 2022.

Method: Electron microscopy
Resolution: 2.7 Å
Organisms: Homo sapiens, Escherichia coli K-12
Chains: 2
Atoms: 11,115
Mol. weight: 163.7 kDa
Ligands: PLM, MG, HD6, HEM
Released: 8 Jun 2022

Explore 7Q1U in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7Q1U contains 58 α-helices and 64 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: 28 helices, 2 β-strands

Element	Residues	Length	Sheet
α-helix	4-31	28
α-helix	33-40	8
β-strand	43-44	2	1
β-strand	52-53	2	1
α-helix	58-66	9
α-helix	67-71	5
α-helix	72-88	17
α-helix	93-129	37
α-helix	133-146	14
α-helix	150-159	10
α-helix	163-187	25
α-helix	201-208	8
α-helix	211-213	3
α-helix	217-219	3
α-helix	222-229	8
α-helix	237-264	28
α-helix	267-272	6
α-helix	274-277	4
α-helix	282-314	33
α-helix	318-324	7
α-helix	325-327	3
α-helix	331-337	7
α-helix	340-346	7
α-helix	347-351	5
α-helix	360-378	19
α-helix	383-407	25
α-helix	409-418	10
α-helix	421-456	36
α-helix	457-462	6
α-helix	468-490	23

Chain B: 30 helices, 62 β-strands

Element	Residues	Length	Sheet
β-strand	26-30	5	2
β-strand	34-35	2	3
α-helix	37	1
β-strand	38-41	4	4
α-helix	43-52	10
β-strand	57-59	3	4
α-helix	61-69	9
α-helix	76-78	3
α-helix	83-91	9
α-helix	96-99	4
β-strand	103-107	5	5
β-strand	113-118	6	5
β-strand	120-121	2	6
α-helix	123-142	20
α-helix	146-166	21
β-strand	168-169	2	7
β-strand	174-175	2	7
β-strand	178-179	2	6
β-strand	193	1	6
α-helix	201-204	4
α-helix	205-209	5
α-helix	214-224	11
β-strand	256-257	2	8
α-helix	258-270	13
α-helix	274-287	14
β-strand	300-301	2	8
β-strand	308-309	2	8
α-helix	315-327	13
α-helix	351-353	3
β-strand	361	1	9
β-strand	366-370	5	10
β-strand	376	1	10
β-strand	381	1	11
β-strand	388-390	3	11
β-strand	392	1	9
β-strand	405-409	5	11
β-strand	412-415	4	11
β-strand	422-427	6	12
β-strand	430-431	2	12
α-helix	432-433	2
β-strand	435-441	7	13
β-strand	444-450	7	13
β-strand	455-462	8	13
β-strand	467-475	9	13
β-strand	480-487	8	12
β-strand	491-495	5	10
β-strand	498-499	2	10
β-strand	504	1	10
α-helix	505-508	4
β-strand	515-518	4	13
β-strand	523-526	4	13
β-strand	531-532	2	14
β-strand	536-537	2	14
β-strand	543-548	6	13
β-strand	553-557	5	12
β-strand	560-567	8	12
β-strand	571-580	10	13
α-helix	583-598	16
α-helix	600-618	19
α-helix	626-641	16
β-strand	643-644	2	15
β-strand	647	1	16
β-strand	650	1	16
β-strand	654-655	2	15
β-strand	669	1	17
α-helix	671-681	11
α-helix	686-698	13
α-helix	701-702	2
β-strand	718	1	18
β-strand	719	1	17
α-helix	725-727	3
β-strand	735	1	18
α-helix	744-755	12
α-helix	758-778	21
β-strand	790-791	2	5
β-strand	798	1	19
α-helix	803	1
β-strand	804	1	19
β-strand	805-809	5	4
β-strand	812-819	8	2
α-helix	823-825	3
β-strand	828-833	6	20
β-strand	840-845	6	20
β-strand	851-853	3	20
β-strand	861-866	6	2
β-strand	871-876	6	2
α-helix	881-883	3
β-strand	885-892	8	20
α-helix	896-898	3
β-strand	902-904	3	20
β-strand	908-910	3	20
β-strand	911-912	2	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Protein-cysteine N-palmitoyltransferase HHAT	A	protein	503	Homo sapiens	Q5VTY9 (AlphaFold model)
Megabody 177	B	protein	919	Escherichia coli K-12	P42592 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>7Q1U_1 Protein-cysteine N-palmitoyltransferase HHAT (chains A)
MLPRWELALYLLASLGFHFYSFYEVYKVSREHEEELDQEFELETDTLFGGLKKDATDFEW
SFWMEWGKQWLVWLLLGHMVVSQMATLLARKHRPWILMLYGMWACWCVLGTPGVAMVLLH
TTISFCVAQFRSQLLTWLCSLLLLSTLRLQGVEEVKRRWYKTENEYYLLQFTLTVRCLYY
TNFSLELCWQQLPAASTSYSFPWMLAYVFYYPVLHNGPILSFSEFIKQMQQQEHDSLKAS
LCVLALGLGRLLCWWWLAELMAHLMYMHAIYSSIPLLETVSCWTLGGLALAQVLFFYVKY
LVLFGVPALLMRLDGLTPPALPRCVSTMFSFTGMWRYFDVGLHNFLIRYVYIPVGGSQHG
LLGTLFSTAMTFAFVSYWHGGYDYLWCWAALNWLGVTVENGVRRLVETPCIQDSLARYFS
PQARRRFHAALASCSTSMLILSNLVFLGGNEVGKTYWNRIFIQGWPWVTLSVLGFLYCYS
HVGIAWAQTYATDGTETSQVAPA

Sequence of entity 2 (B), FASTA

>7Q1U_2 Megabody 177 (chains B)
MKYLLPTAAAGLLLLAAQPAMAQVQLVESGGGLVKEETQSGLNNYARVVEKGQYDSLEIP
AQVAASWESGRDDAAVFGFIDKEQLDKYVANGGKRSDWTVKFAENRSQDGTLLGYSLLQE
SVDQASYMYSDNHYLAEMATILGKPEEAKRYRQLAQQLADYINTCMFDPTTQFYYDVRIE
DKPLANGCAGKPIVERGKGPEGWSPLFNGAATQANADAVVKVMLDPKEFNTFVPLGTAAL
TNPAFGADIYWRGRVWVDQFWFGLKGMERYGYRDDALKLADTFFRHAKGLTADGPIQENY
NPLTGAQQGAPNFSWSAAHLYMLYNDFFRKQASGGGSGGGGSGGGGSGNADNYKNVINRT
GAPQYMKDYDYDDHQRFNPFFDLGAWHGHLLPDGPNTMGGFPGVALLTEEYINFMASNFD
RLTVWQDGKKVDFTLEAYSIPGALVQKLTAKDVQVEMTLRFATPRTSLLETKITSNKPLD
LVWDGELLEKLEAKEGKPLSDKTIAGEYPDYQRKISATRDGLKVTFGKVRATWDLLTSGE
SEYQVHKSLPVQTEINGNRFTSKAHINGSTTLYTTYSHLLTAQEVSKEQMQIRDILARPA
FYLTASQQRWEEYLKKGLTNPDATPEQTRVAVKAIETLNGNWRSPGGAVKFNTVTPSVTG
RWFSGNQTWPWDTWKQAFAMAHFNPDIAKENIRAVFSWQIQPGDSVRPQDVGFVPDLIAW
NLSPERGGDGGNWNERNTKPSLAAWSVMEVYNVTQDKTWVAEMYPKLVAYHDWWLRNRDH
NGNGVPEYGATRDKAHNTESGEMLFTVKKSLRLSCTASGAIFSTYDVSWYRQAPEKPREL
VAIITRGGNTHYADTVKGRFTISRDNAKKTVNLQMNSLKPEDTAVYYCHAGVQGAMLGPR
NYWGQGTQVTVSSHHHHHH

Ligands and cofactors

ID	Name	Formula	Copies
PLM	Palmitic acid	C16 H32 O2	2
MG	Magnesium ion	Mg	1
HD6	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxo…	C37 H68 N7 O16 P3 S	1
HEM	Protoporphyrin IX containing FE	C34 H32 Fe N4 O4	1
CLR	Cholesterol	C27 H46 O	1

Primary citation

Structure, mechanism, and inhibition of Hedgehog acyltransferase. Coupland, C.E., Andrei, S.A., Ansell, T.B. et al. Mol Cell (2021) 81:5025-5038.e10. DOI 10.1016/j.molcel.2021.11.018 · PubMed

Other PDB entries of the same protein (UniProt Q5VTY9 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6UJO 2.25 Å, HHAT L75F Neoantigen Peptide KQWLVWLFL Presented by HLA-A206
6UJQ 2.55 Å, HHAT Wild Type Peptide KQWLVWLLL Presented by HLA-A206
6UK4 2.7 Å, Complex of T cell Receptor with HHAT Neoantigen Peptide KQWLVWLFL Presented by HLA-A206
7MHY 2.7 Å, Human Hedgehog acyltransferase (HHAT) in complex with palmitoyl-CoA and two Fab antibody…
7URF 2.8 Å, Human HHAT H379C in complex with SHH N-terminal peptide
6P64 3.05 Å, Alpha-beta TCR Binding to Neoantigen KQWLVWLFL Presented by HLA-A206
6UK2 3.14 Å, Complex of T cell Receptor with HHAT Wild Type Peptide KQWLVWLLL Presented by HLA-A206
7MHZ 3.2 Å, Human Hedgehog acyltransferase (HHAT) in complex with a palmitoylated Hedgehog peptide…
7Q6Z 3.59 Å, Structure of Hedgehog acyltransferase (HHAT) in complex with megabody 177 bound to…

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