4TW1: Possible leukocidin subunit

Name: PDB 4TW1: Crystal structure of the octameric pore complex of the Staphylococcus aureus Bi-component Toxin LukGH
Published: 2014-11-12
License: https://creativecommons.org/publicdomain/zero/1.0/
Keywords: toxin

Crystal structure of the octameric pore complex of the Staphylococcus aureus Bi-component Toxin LukGH. Determined by X-ray diffraction at 2.8 Å resolution. Released 12 Nov 2014.

Method: X-ray diffraction
Resolution: 2.8 Å
Organism: Staphylococcus aureus
Chains: 16
Atoms: 37,620
Mol. weight: 588.07 kDa
Released: 12 Nov 2014

Explore 4TW1 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4TW1 contains 71 α-helices and 358 β-strands across 16 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: 5 helices, 24 β-strands

Element	Residues	Length	Sheet
β-strand	19-29	11	1
β-strand	34-44	11	1
β-strand	48	1	2
β-strand	51-62	12	1
β-strand	66-67	2	3
β-strand	75-90	16	3
β-strand	97-103	7	1
α-helix	104-106	3
β-strand	111-123	13	4
β-strand	136-137	2	4
β-strand	139-151	13	4
β-strand	153-157	5	3
β-strand	165-172	8	3
β-strand	175-177	3	5
β-strand	180-182	3	5
β-strand	195-196	2	6
β-strand	200	1	7
α-helix	209-211	3
β-strand	213	1	7
α-helix	214-215	2
α-helix	216-218	3
α-helix	221-224	4
β-strand	226-227	2	1
β-strand	231-237	7	1
β-strand	244-265	22	3
β-strand	268-272	5	3
β-strand	273	1	6
β-strand	275-291	17	3
β-strand	297-302	6	3

Chain B: 4 helices, 22 β-strands

Element	Residues	Length	Sheet
α-helix	36-39	4
β-strand	45-55	11	8
β-strand	60-70	11	8
β-strand	74	1	1
β-strand	77-88	12	8
β-strand	92-95	4	9
β-strand	103-118	16	9
β-strand	123-129	7	8
β-strand	136-148	13	4
β-strand	159-174	16	4
β-strand	176-180	5	9
β-strand	188-195	8	9
β-strand	197-200	4	10
β-strand	203-206	4	10
β-strand	214	1	11
β-strand	221	1	12
β-strand	224	1	12
α-helix	225-228	4
β-strand	229	1	11
α-helix	232-234	3
α-helix	237-240	4
β-strand	242-243	2	8
β-strand	247-253	7	8
β-strand	259-275	17	9
β-strand	285-302	18	9
β-strand	307-316	10	9

Chain C: 5 helices, 22 β-strands

Element	Residues	Length	Sheet
β-strand	19-29	11	13
β-strand	34-44	11	13
β-strand	48	1	8
β-strand	51-62	12	13
β-strand	66-67	2	14
β-strand	75-90	16	14
β-strand	97-103	7	13
α-helix	104-106	3
α-helix	108-109	2
β-strand	110-125	16	4
β-strand	135-149	15	4
β-strand	153-157	5	14
β-strand	165-172	8	14
β-strand	175-177	3	15
β-strand	180-182	3	15
β-strand	195	1	14
β-strand	200	1	16
α-helix	209-211	3
β-strand	213	1	16
α-helix	216-218	3
α-helix	221-224	4
β-strand	226-227	2	13
β-strand	231-237	7	13
β-strand	244-263	20	14
β-strand	270-280	11	14
β-strand	283-291	9	14
β-strand	296-303	8	14

Chain D: 3 helices, 25 β-strands

Element	Residues	Length	Sheet
α-helix	40-42	3
β-strand	45	1	17
β-strand	48-55	8	18
β-strand	60-69	10	18
β-strand	70	1	17
β-strand	74	1	13
β-strand	77-83	7	18
β-strand	86	1	18
β-strand	87-88	2	19
β-strand	92-95	4	20
β-strand	103-106	4	20
β-strand	110-117	8	20
β-strand	123-129	7	18
β-strand	138-152	15	4
β-strand	158-173	16	4
β-strand	176-180	5	20
β-strand	188-195	8	20
β-strand	197-200	4	21
β-strand	203-206	4	21
β-strand	214	1	22
α-helix	225-227	3
β-strand	229	1	22
α-helix	237-241	5
β-strand	242-243	2	19
β-strand	247-253	7	18
β-strand	259-275	17	20
β-strand	285-302	18	20
β-strand	307-316	10	20

Chain E: 5 helices, 22 β-strands

Element	Residues	Length	Sheet
β-strand	19-29	11	23
β-strand	34-44	11	23
β-strand	48	1	18
β-strand	51-62	12	23
β-strand	66-67	2	24
β-strand	75-90	16	24
β-strand	97-103	7	23
α-helix	105-106	2
α-helix	108-110	3
β-strand	111-128	18	4
β-strand	131-149	19	4
β-strand	153-158	6	24
β-strand	165-172	8	24
β-strand	175-177	3	25
β-strand	180-182	3	25
β-strand	195	1	24
β-strand	200	1	26
β-strand	213	1	26
α-helix	214-215	2
α-helix	216-218	3
α-helix	221-224	4
β-strand	226-227	2	23
β-strand	231-237	7	23
β-strand	244-263	20	24
β-strand	270-276	7	24
β-strand	281-291	11	24
β-strand	296-303	8	24

Chain F: 4 helices, 22 β-strands

Element	Residues	Length	Sheet
α-helix	37-39	3
β-strand	45-47	3	27
β-strand	48	1	28
β-strand	50-55	6	27
β-strand	60-70	11	27
β-strand	74	1	23
β-strand	77-88	12	27
β-strand	92-95	4	29
β-strand	103-118	16	29
β-strand	123-129	7	27
β-strand	138-149	12	4
β-strand	159-174	16	4
β-strand	176-180	5	29
β-strand	188-195	8	29
β-strand	197-200	4	30
β-strand	203-206	4	30
β-strand	214	1	31
α-helix	225-228	4
β-strand	229	1	31
α-helix	232-234	3
α-helix	237-240	4
β-strand	242-243	2	27
β-strand	247-253	7	27
β-strand	259-275	17	29
β-strand	285-302	18	29
β-strand	307-316	10	29

Chain G: 5 helices, 23 β-strands

Element	Residues	Length	Sheet
β-strand	19-29	11	32
β-strand	34-44	11	32
β-strand	48	1	28
β-strand	51-57	7	32
β-strand	60-62	3	32
β-strand	66-67	2	33
β-strand	75-90	16	33
β-strand	97-103	7	32
α-helix	104-106	3
α-helix	108-109	2
β-strand	110-127	18	4
β-strand	132-137	6	4
β-strand	140-149	10	4
β-strand	153-157	5	33
β-strand	165-172	8	33
β-strand	175-177	3	34
β-strand	180-182	3	34
β-strand	195	1	33
β-strand	200	1	35
β-strand	213	1	35
α-helix	214-215	2
α-helix	216-218	3
α-helix	221-224	4
β-strand	226-227	2	32
β-strand	231-237	7	32
β-strand	244-265	22	33
β-strand	268-291	24	33
β-strand	296-303	8	33

Chain H: 4 helices, 21 β-strands

Element	Residues	Length	Sheet
α-helix	40-42	3
β-strand	45-55	11	2
β-strand	60-70	11	2
β-strand	74	1	32
β-strand	77-88	12	2
β-strand	92-95	4	36
β-strand	103-106	4	36
β-strand	108-118	11	36
β-strand	123-129	7	2
β-strand	138-152	15	4
β-strand	157-173	17	4
β-strand	176-180	5	36
β-strand	188-195	8	36
β-strand	197-200	4	37
β-strand	203-206	4	37
β-strand	214	1	38
α-helix	225-228	4
β-strand	229	1	38
α-helix	232-234	3
α-helix	237-240	4
β-strand	242-243	2	2
β-strand	247-253	7	2
β-strand	259-275	17	36
β-strand	285-302	18	36
β-strand	307-316	10	36

8 more chain groups are not listed. Open the entry in the viewer and use the sequence panel to see them.

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Possible leukocidin subunit	A, C, E, G, I, K, M, O	protein	311	Staphylococcus aureus	Q2FFA3 (AlphaFold model)
Possible leukocidin subunit	B, D, F, H, J, L, N, P	protein	324	Staphylococcus aureus	Q2FFA2 (AlphaFold model)

Sequence of entity 1 (A, C, E, G, I, K, M, O), FASTA

>4TW1_1 Possible leukocidin subunit (chains A, C, E, G, I, K, M, O)
SLKINSEIKQVSEKNLDGDTKMYTRTATTSDSQKNITQSLQFNFLTEPNYDKETVFIKAK
GTIGSGLRILDPNGYWNSTLRWPGSYSVSIQNVDDNNNTNVTDFAPKNQDESREVKYTYG
YKTGGDFSINRGGLTGNITKESNYSETISYQQPSYRTLLDQSTSHKGVGWKVEAHLINNM
GHDHTRQLTNDSDNRTKSEIFSLTRNGNLWAKDNFTPKDKMPVTVSEGFNPEFLAVMSHD
KKDKGKSQFVVHYKRSMDEFKIDWNRHGFWGYWSGENHVDKKEEKLSALYEVDWKTHNVK
FVKVLNDNEKK

Sequence of entity 2 (B, D, F, H, J, L, N, P), FASTA

>4TW1_2 Possible leukocidin subunit (chains B, D, F, H, J, L, N, P)
NSAHKDSQDQNKKEHVDKSQQKDKRNVTNKDKNSTAPDDIGKNGKITKRTETVYDEKTNI
LQNLQFDFIDDPTYDKNVLLVKKQGSIHSNLKFESHKEEKNSNWLKYPSEYHVDFQVKRN
RKTEILDQLPKNKISTAKVDSTFSYSSGGKFDSTKGIGRTSSNSYSKTISYNQQNYDTIA
SGKNNNWHVHWSVIANDLKYGGEVKNRNDELLFYRNTRIATVENPELSFASKYRYPALVR
SGFNPEFLTYLSNEKSNEKTQFEVTYTRNQDILKNRPGIHYAPPILEKNKDGQRLIVTYE
VDWKNKTVKVVDKYSDDNKPYKEG

Primary citation

Structure-Function Analysis of Heterodimer Formation, Oligomerization, and Receptor Binding of the Staphylococcus aureus Bi-component Toxin LukGH. Badarau, A., Rouha, H., Malafa, S. et al. J Biol Chem (2015) 290:142-156. DOI 10.1074/jbc.M114.598110 · PubMed

Other PDB entries of the same protein (UniProt Q2FFA3 (AlphaFold model), which also has an AlphaFold model), best resolution first:

5K59 2.84 Å, Crystal structure of LukGH from Staphylococcus aureus in complex with a neutralising…
9N38 3.9 Å, Cryo EM structure of LukAB (LukGH) toxin from Staphylococcus aureus in complex with…

Browse structure collections

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