MolNFT v1 · #11966 · protein

Three-dimensional solution structure of apo-S100A1.

1K2H · S-100 protein, alpha chain: “Three-dimensional solution structure of apo-S100A1.”. Solution nmr, 3 pockets (best druggability 0.70). MolNFT v1 #11966 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1K2H
Type: protein
Length: 186 residues
Chains: 2
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: S-100 protein, alpha chain
UniProt: P35467
Pockets: 3 · best druggability 0.70

Structure

solution nmr · 1 distinct chain · 65% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	S-100 protein, alpha chain	protein	93	65% helix, 0% strand	P35467

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	70	0.70	0.95	25	empty
2	115	0.60	0.85	22	empty
3	115	0.59	0.85	25	empty

Interfaces

1 interface between chains.

A–B · 1395 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

1K2H · Three-dimensional Solution Structure of apo-S100A1. · the same entry in another collection · chain A against A, TM-score 1.00
P35467 · AlphaFold monomer V2.0 prediction for protein S100-A1 (P35467) · a predicted model of the same protein · chain A against A, TM-score 0.52

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 P35467
Elsewhere: RCSB PDB 1K2H · PDBe 1K2H · UniProt P35467

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