1A8M: Tumor necrosis factor alpha, R31D mutant

Tumor necrosis factor alpha, R31D mutant. Determined by X-ray diffraction at 2.3 Å resolution. Released 17 Jun 1998.

Method: X-ray diffraction
Resolution: 2.3 Å
Organism: Homo sapiens
Chains: 3
Atoms: 3,630
Mol. weight: 51.99 kDa
Released: 17 Jun 1998

Explore 1A8M in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

1A8M contains 3 α-helices and 40 β-strands across 3 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: 2 helices, 15 β-strands

Element	Residues	Length	Sheet
β-strand	13	1	1
β-strand	14	1	2
β-strand	16-17	2	3
β-strand	37	1	2
β-strand	42-43	2	4
β-strand	48-49	2	4
α-helix	50	1
β-strand	54-67	14	3
β-strand	76-83	8	4
β-strand	91-98	8	4
β-strand	113-126	14	3
β-strand	131-136	6	4
α-helix	139-141	3
β-strand	142	1	3
β-strand	151-153	3	3
β-strand	155	1	1
β-strand	156	1	3

Chain B: 0 helices, 14 β-strands

Element	Residues	Length	Sheet
β-strand	13-18	6	5
β-strand	28-29	2	5
β-strand	36-38	3	5
β-strand	42-43	2	6
β-strand	48-49	2	6
β-strand	54-57	4	5
β-strand	60-67	8	5
β-strand	76-83	8	6
β-strand	91-98	8	6
β-strand	113-120	8	5
β-strand	123-126	4	5
β-strand	131-136	6	6
β-strand	142	1	5
β-strand	151-156	6	5

Chain C: 1 helix, 11 β-strands

Element	Residues	Length	Sheet
β-strand	13-18	6	7
α-helix	19	1
β-strand	28-29	2	7
β-strand	36-38	3	7
β-strand	43-44	2	8
β-strand	47-49	3	8
β-strand	54-67	14	7
β-strand	76-83	8	8
β-strand	90-98	9	8
β-strand	113-126	14	7
β-strand	131-136	6	8
β-strand	151-156	6	7

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Tumor necrosis factor alpha	A, B, C	protein	157	Homo sapiens	P01375 (AlphaFold model)

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

>1A8M_1 TUMOR NECROSIS FACTOR ALPHA (chains A, B, C)
VRSSSRTPSDKPVAHVVANPQAEGQLQWLNDRANALLANGVELRDNQLVVPSEGLYLIYS
QVLFKGQGCPSTHVLLTHTISRIAVSYQTKVNLLSAIKSPCQRETPEGAEAKPWYEPIYL
GGVFQLEKGDRLSAEINRPDYLDFAESGQVYFGIIAL

Primary citation

Crystal structure of TNF-alpha mutant R31D with greater affinity for receptor R1 compared with R2. Reed, C., Fu, Z.Q., Wu, J. et al. Protein Eng (1997) 10:1101-1107. DOI 10.1093/protein/10.10.1101 · PubMed

Other PDB entries of the same protein (UniProt P01375 (AlphaFold model), which also has an AlphaFold model), best resolution first:

9OJO 1.36 Å, Crystal structure of TNF alpha in complex with compound 1
5UUI 1.4 Å, Crystal Structure of Spin-Labeled T77C TNFa
4Y6O 1.6 Å, Human SIRT2 in complex with myristoylated peptide (TNF-alphaK20myr)
2E7A 1.8 Å, TNF Receptor Subtype One-selective TNF Mutant with Antagonistic Activity
4TSV 1.8 Å, High resolution crystal structure of a human tnf-alpha mutant
9OJS 1.85 Å, Crystal structure of TNF alpha in complex with compound 4
5M2J 1.9 Å, Complex between human TNF alpha and Llama VHH2
9BN7 1.92 Å, X-ray crystal structure of TNFa-VNAR C4 complex
2AZ5 2.1 Å, Crystal Structure of TNF-alpha with a small molecule inhibitor
3L9J 2.1 Å, Selection of a novel highly specific TNFalpha antagonist: Insight from the crystal…
7JRA 2.1 Å, HUMAN TNF-ALPHA IN COMPLEX WITH 2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}qui…
5M2I 2.15 Å, Structure of human Tumor Necrosis Factor (TNF) in complex with the Llama VHH1

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