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MolNFT v1 · #138603 · protein

De novo design of covalently constrained meso-size protein scaffolds with unique tertiary structures

5WOC · Ser-pro-glu-glu-arg-ala-gln-leu-cys-thr-ala-ala-glu-lys…: “De novo design of covalently constrained meso-size protein scaffolds with unique tertiary structures”. Solution nmr, 1 ligand (B74). MolNFT v1 #138603 on GenesisL1: 3D…

PDB
5WOC
Type
protein
Length
38 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ser-pro-glu-glu-arg-ala-gln-leu-cys-thr-ala-ala-glu-lys- ala-asp-glu-leu-gly
Ligands
B74

Structure

solution nmr · 1 distinct chain · 89% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BSer-pro-glu-glu-arg-ala-gln-leu-cys-thr-ala-ala-glu-lys- ala-asp-glu-leu-glyprotein1989% helix, 0% strand—

Ligands and binding sites

  • B74 · (3-methylphenyl)methanol · ligand · chains A, B

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

Interfaces

1 interface between chains.

  • A–B · 442 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

  • 5WOC · De Novo Design of Covalently Constrained Meso-size Protein Scaffolds with Unique Tertiary… · the same entry in another collection · chain A against A, TM-score 1.00

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