MolNFT v1 · #121774 · protein

X-ray crystal structure of allo-THR31-shk

5I5C · Kappa-stichotoxin-SHE3A: “X-ray crystal structure of allo-THR31-shk”. X-ray diffraction, 2 ligands (LI, SO4). MolNFT v1 #121774 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5I5C
Type: protein
Length: 105 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Kappa-stichotoxin-SHE3A
UniProt: P29187
Ligands: LI, SO4

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Kappa-stichotoxin-SHE3A	protein	35	46% helix, 0% strand	P29187

Ligands and binding sites

LI · Lithium ion · metal · 2 copies · chains B, C
SO4 · Sulfate ion · ion · 4 copies · chains A, C, B
GOL · Glycerol · additive · chains C

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

Interfaces

2 interfaces between chains.

A–C · 411 Å² buried · 7 hydrogen bonds · protein-protein
A–B · 381 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 9 disulfide, 3 modified (disulfide, nonstandard).

Compared structures

5I5C · X-ray crystal structure of allo-Thr31-ShK · the same entry in another collection · chain A against A, TM-score 1.00
P29187 · AlphaFold monomer V2.0 prediction for kappa-stichotoxin-SHE3A (P29187) · a predicted model of the same protein · chain A against A, TM-score 0.92

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 P29187
Elsewhere: RCSB PDB 5I5C · PDBe 5I5C · UniProt P29187

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