MolNFT v1 · #11894 · protein

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

1K09 · Core module I: “Solution structure of betacore, a designed water soluble four-stranded antiparallel B-sheet protein”. Solution nmr, 2 ligands (MPT, NH2). MolNFT v1 #11894 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

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).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Core module I	protein	24	0% helix, 25% strand	P00974
B	Core module II	protein	24	0% helix, 17% strand	P00974

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 Å² 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

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P00974
Elsewhere: RCSB PDB 1K09 · PDBe 1K09 · UniProt P00974

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