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MolNFT v1 · #159565 · protein

Crystal structure of an N-terminal fragment of cancer associated tropomyosin 3.1 (TPM3.1)

6OTN · Tropomyosin alpha-3 chain: “Crystal structure of an N-terminal fragment of cancer associated tropomyosin 3.1 (TPM3.1)”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.42). MolNFT v1 #159565 on GenesisL1: 3D…

PDB
6OTN
Type
protein
Length
282 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tropomyosin alpha-3 chain
UniProt
P06753
Ligands
SO4
Pockets
3 · best druggability 0.42

Structure

x-ray diffraction · 4 distinct chains · 96% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATropomyosin alpha-3 chainprotein6997% helix, 0% strandP06753
BTropomyosin alpha-3 chainprotein6794% helix, 0% strandP06753
CTropomyosin alpha-3 chainprotein7596% helix, 0% strandP06753
DTropomyosin alpha-3 chainprotein7196% helix, 0% strandP06753

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains A, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11570.420.7420empty
2560.310.7615empty
3520.300.7613empty

Interfaces

3 interfaces between chains.

  • C–D · 2045 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 1848 Ų buried · 9 hydrogen bonds · protein-protein
  • A–C · 1089 Ų buried · 29 hydrogen bonds · protein-protein

Compared structures

  • 6OTN · Crystal Structure of an N-terminal Fragment of Cancer Associated Tropomyosin 3.1 (Tpm3.1) · the same entry in another collection · chain D against D, TM-score 1.00
  • P06753 · AlphaFold monomer V2.0 prediction for tropomyosin alpha-3 chain (P06753) · a predicted model of the same protein · chain A against A, TM-score 0.94

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