1UUP: Exotoxin type A

Name: PDB 1UUP: Crystal Structure of A Dimeric Form of Streptococcal Pyrogenic Exotoxin A (SpeA1).
Published: 2004-08-12
License: https://creativecommons.org/publicdomain/zero/1.0/
Keywords: toxin

Crystal Structure of A Dimeric Form of Streptococcal Pyrogenic Exotoxin A (SpeA1). Determined by X-ray diffraction at 2.6 Å resolution. Released 12 Aug 2004.

Method: X-ray diffraction
Resolution: 2.6 Å
Organism: STREPTOCOCCUS PYOGENES
Chains: 4
Atoms: 7,388
Mol. weight: 103.54 kDa
Ligands: ZN
Released: 12 Aug 2004

Explore 1UUP in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1UUP contains 35 α-helices and 76 β-strands across 4 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: 10 helices, 19 β-strands

Element	Residues	Length	Sheet
α-helix	1002-1004	3
α-helix	1006-1008	3
α-helix	1012-1014	3
α-helix	1019-1026	8
α-helix	1028-1029	2
β-strand	1030-1035	6	1
β-strand	1039	1	2
β-strand	1045-1048	4	2
β-strand	1052	1	3
β-strand	1055	1	3
β-strand	1057-1061	5	2
α-helix	1065-1072	8
β-strand	1076-1080	5	1
β-strand	1083	1	2
β-strand	1096-1100	5	2
β-strand	1103-1105	3	1
β-strand	1110-1123	14	4
β-strand	1126-1137	12	4
β-strand	1139-1141	3	5
α-helix	1142-1157	16
β-strand	1161	1	6
β-strand	1163	1	6
β-strand	1167-1175	9	4
α-helix	1180-1181	2
β-strand	1182-1185	4	4
α-helix	1194-1197	4
α-helix	1198-1201	4
β-strand	1206-1208	3	5
β-strand	1213-1220	8	4

Chain B: 9 helices, 19 β-strands

Element	Residues	Length	Sheet
α-helix	2002-2004	3
α-helix	2010-2011	2
α-helix	2012-2014	3
α-helix	2019-2026	8
β-strand	2030-2035	6	7
β-strand	2039	1	8
β-strand	2045-2048	4	8
β-strand	2052	1	9
β-strand	2055	1	9
β-strand	2057-2061	5	8
α-helix	2065-2071	7
β-strand	2076-2080	5	7
β-strand	2083	1	8
β-strand	2096-2100	5	8
β-strand	2103-2105	3	7
β-strand	2110-2123	14	10
β-strand	2126-2137	12	10
β-strand	2139-2141	3	11
α-helix	2142-2157	16
β-strand	2161	1	12
β-strand	2163	1	12
β-strand	2167-2175	9	10
α-helix	2180-2181	2
β-strand	2182-2185	4	10
α-helix	2194-2197	4
α-helix	2198-2201	4
β-strand	2206-2208	3	11
β-strand	2213-2220	8	10

Chain C: 8 helices, 19 β-strands

Element	Residues	Length	Sheet
α-helix	3010-3011	2
α-helix	3012-3014	3
α-helix	3019-3026	8
α-helix	3028-3029	2
β-strand	3030-3035	6	13
β-strand	3039	1	14
β-strand	3045-3048	4	14
β-strand	3052	1	15
β-strand	3055	1	15
β-strand	3057-3061	5	14
α-helix	3065-3072	8
β-strand	3076-3080	5	13
β-strand	3083	1	14
β-strand	3096-3100	5	14
β-strand	3103-3105	3	13
β-strand	3110-3123	14	16
β-strand	3127-3137	11	16
β-strand	3139-3141	3	17
α-helix	3142-3157	16
β-strand	3161	1	18
β-strand	3163	1	18
β-strand	3167-3175	9	16
β-strand	3182-3185	4	16
α-helix	3194-3197	4
α-helix	3198-3201	4
β-strand	3206-3208	3	17
β-strand	3213-3220	8	16

Chain D: 8 helices, 19 β-strands

Element	Residues	Length	Sheet
α-helix	4010-4011	2
α-helix	4012-4014	3
α-helix	4019-4026	8
α-helix	4028-4029	2
β-strand	4030-4035	6	19
β-strand	4037-4039	3	20
β-strand	4045-4048	4	20
β-strand	4052	1	21
β-strand	4055	1	21
β-strand	4057-4061	5	20
α-helix	4065-4071	7
β-strand	4076-4080	5	19
β-strand	4083	1	20
β-strand	4096-4100	5	20
β-strand	4103-4105	3	19
β-strand	4110-4123	14	22
β-strand	4126-4137	12	22
β-strand	4139-4141	3	23
α-helix	4142-4157	16
β-strand	4161	1	24
β-strand	4163	1	24
β-strand	4169-4175	7	22
β-strand	4182-4185	4	22
α-helix	4194-4197	4
α-helix	4198-4201	4
β-strand	4206-4208	3	23
β-strand	4213-4219	7	22

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Exotoxin type A	A, B, C, D	protein	221	STREPTOCOCCUS PYOGENES	P0DJY7 (AlphaFold model)

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

>1UUP_1 EXOTOXIN TYPE A (chains A, B, C, D)
QQDPDPSQLHRSSLVKNLQNIYFLYEGDPVTHENVKSVDQLLSHDLIYNVSGPNYDKLKT
ELKNQEMATLFKDKNVDIYGVEYYHLCYLCENAERSACIYGGVTNHEGNHLEIPKKIVVK
VSIDGIQSLSFDIETNKKMVTAQELDYKVRKYLTDNKQLYTNGPSKYETGYIKFIPKNKE
SFWFDFFPEPEFTQSKYLMIYKDNETLDSNTSQIEVYLTTK

Ligands and cofactors

ID	Name	Formula	Copies
ZN	Zinc ion	Zn	4

Primary citation

Crystal Structure of a Dimeric Form of Streptococcal Pyrogenic Exotoxin a (Spea1). Baker, M.D., Gendlina, I., Collins, C.M. et al. Protein Sci (2004) 13:2285. DOI 10.1110/PS.04826804 · PubMed

Other PDB entries of the same protein (UniProt P0DJY7 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1L0Y 2.5 Å, T cell receptor beta chain complexed with superantigen SpeA soaked with zinc
1B1Z 2.57 Å, Streptococcal pyrogenic exotoxin A1
1L0X 2.8 Å, TCR beta chain complexed with streptococcal superantigen SpeA
1HA5 2.82 Å, Structural features of a zinc-binding site in the superantigen streptococcal pyrogenic…
1FNV 3.6 Å, Structure of streptococcal pyrogenic exotoxin a
1FNW 3.9 Å, Crystal structure of streptococcal pyrogenic exotoxin a

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