4AEI: AaHII-Fab4C1 complex

Crystal structure of the AaHII-Fab4C1 complex. Determined by X-ray diffraction at 2.3 Å resolution. Released 7 Mar 2012.

Method: X-ray diffraction
Resolution: 2.3 Å
Organisms: ANDROCTONUS AUSTRALIS HECTOR, MUS MUSCULUS
Chains: 9
Atoms: 11,864
Mol. weight: 169.17 kDa
Released: 7 Mar 2012

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

Secondary structure: helices and β-sheets

4AEI contains 45 α-helices and 155 β-strands across 9 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: 1 helix, 7 β-strands

Element	Residues	Length	Sheet
β-strand	2-5	4	1
β-strand	6	1	2
β-strand	7	1	3
β-strand	13	1	3
α-helix	19-28	10
β-strand	33-40	8	1
β-strand	43-51	9	1
β-strand	57	1	2

Chains B and C: 1 helix, 7 β-strands

Element	Residues	Length	Sheet
β-strand	2-5	4	4
β-strand	6	1	5
β-strand	7	1	6
β-strand	13	1	6
α-helix	19-28	10
β-strand	33-41	9	4
β-strand	43-51	9	4
β-strand	57	1	5

Chain H: 7 helices, 22 β-strands

Element	Residues	Length	Sheet
β-strand	3-7	5	10
β-strand	11-12	2	11
β-strand	18-25	8	10
α-helix	29-31	3
β-strand	34-39	6	12
β-strand	45-51	7	12
β-strand	58-59	2	12
β-strand	69-73	5	10
β-strand	78-83	6	10
α-helix	88-90	3
β-strand	92-98	7	12
β-strand	109-110	2	12
β-strand	114-116	3	12
β-strand	117-118	2	11
α-helix	122-123	2
β-strand	124	1	13
α-helix	125-126	2
β-strand	127-131	5	14
β-strand	142-152	11	14
β-strand	153	1	13
β-strand	158-161	4	15
α-helix	162-164	3
β-strand	170-172	3	14
α-helix	173-175	3
β-strand	176-178	3	14
β-strand	181-191	11	14
β-strand	201-206	6	15
α-helix	207-209	3
β-strand	211-216	6	15

Chain I: 7 helices, 22 β-strands

Element	Residues	Length	Sheet
β-strand	3-7	5	16
β-strand	11-12	2	17
β-strand	18-25	8	16
α-helix	29-31	3
β-strand	34-39	6	18
β-strand	45-51	7	18
β-strand	58-59	2	18
β-strand	69-73	5	16
β-strand	78-83	6	16
α-helix	88-90	3
β-strand	92-98	7	18
β-strand	109-110	2	18
β-strand	114-116	3	18
β-strand	117-118	2	17
α-helix	122-123	2
β-strand	124	1	19
α-helix	125-126	2
β-strand	127-131	5	20
β-strand	144-152	9	20
β-strand	153	1	19
β-strand	158-161	4	21
α-helix	162-164	3
β-strand	170-172	3	20
α-helix	173-175	3
β-strand	176-178	3	20
β-strand	181-189	9	20
β-strand	201-206	6	21
α-helix	207-209	3
β-strand	211-216	6	21

Chain J: 6 helices, 21 β-strands

Element	Residues	Length	Sheet
β-strand	3-7	5	22
β-strand	10-12	3	23
β-strand	18-25	8	22
α-helix	29-31	3
β-strand	34-39	6	23
β-strand	45-51	7	23
β-strand	58-59	2	23
β-strand	69-73	5	22
α-helix	74-76	3
β-strand	78-83	6	22
α-helix	88-90	3
β-strand	92-98	7	23
β-strand	109-110	2	23
β-strand	114-118	5	23
β-strand	124	1	24
β-strand	127-131	5	25
β-strand	144-152	9	25
β-strand	153	1	24
β-strand	158-161	4	26
α-helix	162-164	3
β-strand	170-172	3	25
α-helix	173-175	3
β-strand	176-177	2	25
β-strand	182-189	8	25
β-strand	201-206	6	26
α-helix	207-209	3
β-strand	211-216	6	26

Chain L: 8 helices, 23 β-strands

Element	Residues	Length	Sheet
β-strand	4-7	4	27
β-strand	10-13	4	12
β-strand	19-25	7	27
β-strand	30	1	28
β-strand	36	1	28
β-strand	38-43	6	12
β-strand	49-54	6	12
β-strand	58-59	2	12
α-helix	60	1
β-strand	67-72	6	27
β-strand	75-80	6	27
α-helix	85-87	3
β-strand	89-95	7	12
α-helix	101	1
β-strand	102-103	2	12
β-strand	107-111	5	12
β-strand	116	1	29
α-helix	117-118	2
β-strand	119-123	5	30
α-helix	124-126	3
α-helix	127-131	5
β-strand	134-144	11	30
β-strand	145	1	29
β-strand	149-155	7	31
β-strand	158-160	3	31
β-strand	164-168	5	30
α-helix	169-172	4
β-strand	178-187	10	30
α-helix	188-192	5
β-strand	196-203	8	31
β-strand	210-215	6	31

Chain M: 7 helices, 23 β-strands

Element	Residues	Length	Sheet
β-strand	4-7	4	32
β-strand	10-13	4	18
β-strand	19-25	7	32
β-strand	30	1	33
β-strand	36	1	33
β-strand	38-43	6	18
β-strand	50-54	5	18
β-strand	58-59	2	18
α-helix	60	1
β-strand	67-72	6	32
β-strand	75-80	6	32
α-helix	85-87	3
β-strand	89-95	7	18
α-helix	101	1
β-strand	102-103	2	18
β-strand	107-111	5	18
β-strand	116	1	34
β-strand	119-123	5	35
α-helix	124-126	3
α-helix	127-131	5
β-strand	134-144	11	35
β-strand	145	1	34
β-strand	150-155	6	36
β-strand	158-160	3	36
β-strand	164-168	5	35
α-helix	169-172	4
β-strand	178-187	10	35
α-helix	188-191	4
β-strand	196-203	8	36
β-strand	206-215	10	36

Chain N: 7 helices, 23 β-strands

Element	Residues	Length	Sheet
β-strand	4-7	4	37
β-strand	10-14	5	23
β-strand	19-25	7	37
β-strand	30	1	38
β-strand	36	1	38
β-strand	38-43	6	23
β-strand	49-54	6	23
β-strand	58-59	2	23
α-helix	60	1
β-strand	67-72	6	37
β-strand	75-80	6	37
α-helix	85-87	3
β-strand	89-95	7	23
α-helix	101	1
β-strand	102-103	2	23
β-strand	107-112	6	23
β-strand	116	1	39
β-strand	119-123	5	40
α-helix	124-126	3
α-helix	127-132	6
β-strand	134-144	11	40
β-strand	145	1	39
β-strand	150-155	6	41
β-strand	159-160	2	41
β-strand	164-168	5	40
α-helix	169-172	4
β-strand	178-187	10	40
α-helix	188-193	6
β-strand	196-203	8	41
β-strand	206-215	10	41

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Alpha-mammal toxin AAH2	A, B, C	protein	65	ANDROCTONUS AUSTRALIS HECTOR	P01484 (AlphaFold model)
FAB antibody heavy chain	H, I, J	protein	229	MUS MUSCULUS
FAB antibody light chain	L, M, N	protein	219	MUS MUSCULUS

Sequence of entity 1 (A, B, C), FASTA

>4AEI_1 ALPHA-MAMMAL TOXIN AAH2 (chains A, B, C)
VKDGYIVDDVNCTYFCGRNAYCNEECTKLKGESGYCQWASPYGNACYCYKLPDHVRTKGP
GRCHX

Sequence of entity 2 (H, I, J), FASTA

>4AEI_2 FAB ANTIBODY HEAVY CHAIN (chains H, I, J)
EVHLVESGGGLVKPGGSLKLSCAASGFTFSGYYMYWVRQTPEKRLEWVASISDGGSFTYY
PDSVKGRFTISRDNAKNNLYLQMSSLRSDDTAMYYCSRPDDYSYDGFAYWGQGTLVTVSA
AKTTPPSVYPLAPGSAAQTNSMVTLGCLVKGYFPEPVTVTWNSGSLSSGVHTFPAVLQSD
LYTLSSSVTVPSSTWPSETVTCNVAHPASSTKVDKKIVPRDCGCKPCIC

Sequence of entity 3 (L, M, N), FASTA

>4AEI_3 FAB ANTIBODY LIGHT CHAIN (chains L, M, N)
DVLMTQSPLSLPVSLGDQASISCRSSQSIVHSNGNTYLEWYLQKPGQSPNLLIYKVSNRF
SGVPDRFSGSGSGTDFTLKISRVEAEDLGVYYCFQGSHVPLTFGAGTKLELKRADAAPTV
SIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSM
SSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC

Primary citation

Structural Insights Into Antibody Sequestering and Neutralizing of Na+-Channel & [Alpha]-Type Modulator from Old-World Scorpion Venom. Fabrichny, I.P., Mondielli, G., Conrod, S. et al. J Biol Chem (2012) 287:14136. DOI 10.1074/JBC.M111.315382 · PubMed

Other PDB entries of the same protein (UniProt P01484 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1AHO 0.96 Å, The ab initio structure determination and refinement of a scorpion protein toxin
1PTX 1.3 Å, Crystal structure of toxin II from the scorpion androctonus australis hector refined at…
1SEG 1.3 Å, Crystal structure of a toxin chimera between Lqh-alpha-IT from the scorpion Leiurus…
6NT4 3.5 Å, Cryo-EM structure of a human-cockroach hybrid Nav channel bound to alpha-scorpion toxin…

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