MolNFT v1 · #42180 · protein

Solution structure and dynamics of S100A5 in the CA2+ -bound states

2KAY · Protein S100-A5: “Solution structure and dynamics of S100A5 in the CA2+ -bound states”. Solution nmr, 1 ligand (CA), 1 pocket (best druggability 0.27). MolNFT v1 #42180 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2KAY
Type: protein
Length: 184 residues
Chains: 2
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein S100-A5
UniProt: P33763
Ligands: CA
Pockets: 1 · best druggability 0.27

Structure

solution nmr · 1 distinct chain · 66% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Protein S100-A5	protein	92	66% helix, 4% strand	P33763

Ligands and binding sites

CA · Calcium ion · metal · 4 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	57	0.27	0.73	12	empty

Interfaces

1 interface between chains.

A–B · 1580 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

2KAY · Solution structure and dynamics of S100A5 in the Ca2+ -bound states · the same entry in another collection · chain A against A, TM-score 1.00
P33763 · AlphaFold monomer V2.0 prediction for protein S100-A5 (P33763) · a predicted model of the same protein · chain A against A, TM-score 0.89

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 P33763
Elsewhere: RCSB PDB 2KAY · PDBe 2KAY · UniProt P33763

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.