MolNFT v1 · #73122 · protein

Crystal structure of S100A3 protein expressed in insect cell

3NSO · Protein S100-A3: “Crystal structure of S100A3 protein expressed in insect cell”. X-ray diffraction, 1 pocket (best druggability 0.28). MolNFT v1 #73122 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3NSO
Type: protein
Length: 185 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein S100-A3
UniProt: P33764
Pockets: 1 · best druggability 0.28

Structure

x-ray diffraction · 2 distinct chains · 64% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein S100-A3	protein	93	63% helix, 4% strand	P33764
B	Protein S100-A3	protein	92	64% helix, 4% strand	P33764

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	54	0.28	0.74	15	empty

Interfaces

1 interface between chains.

A–B · 1770 Å² buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

3NSO · Crystal Structure of S100A3 Protein Expressed in Insect Cell · the same entry in another collection · chain A against A, TM-score 1.00
P33764 · AlphaFold monomer V2.0 prediction for protein S100-A3 (P33764) · a predicted model of the same protein · chain A against A, TM-score 0.62

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 P33764
Elsewhere: RCSB PDB 3NSO · PDBe 3NSO · UniProt P33764

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