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Solution structure of betacore, a designed water soluble four-stranded antiparallel B-sheet protein

Analyse Solution structure of betacore, a designed water soluble four-stranded… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1K09
Type
protein
Length
48 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Core module I; Core module II
UniProt
P00974
Ligands
MPT, NH2

Structure

solution nmr · 2 distinct chains · 0% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACore module Iprotein240% helix, 25% strandP00974
BCore module IIprotein240% helix, 17% strandP00974

Ligands and binding sites

  • MPT · Beta-mercaptopropionic acid · ligand · 2 copies · chains A, B
  • NH2 · Amino group · ion · 2 copies · 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 · 634 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 covalent, 4 modified (covalent ligand, nonstandard).

Compared structures

  • 1K09 · Solution structure of BetaCore, A Designed Water Soluble Four-Stranded Antiparallel… · the same entry in another collection · chain A against A, TM-score 1.00
  • P00974 · AlphaFold monomer V2.0 prediction for pancreatic trypsin inhibitor (P00974) · a predicted model of the same protein · chain A against A, TM-score 0.18

Analyse

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