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Structure of the CA2+-bound activated form of the S100A4 metastasis factor

Analyse Structure of the CA2+-bound activated form of the S100A4 metastasis factor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2Q91
Type: protein
Length: 192 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: S100A4 metastasis factor
UniProt: P26447
Ligands: CA
Pockets: 2 · best druggability 0.39

Structure

x-ray diffraction · 1 distinct chain · 63% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	S100A4 metastasis factor	protein	96	63% helix, 4% strand	P26447

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

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	88	0.39	0.77	16	empty
2	86	0.36	0.75	17	empty

Interfaces

1 interface between chains.

A–B · 1497 Å² buried · 13 hydrogen bonds · protein-protein

Compared structures

2Q91 · Structure of the Ca2+-Bound Activated Form of the S100A4 Metastasis Factor · the same entry in another collection · chain A against A, TM-score 1.00
P26447 · AlphaFold monomer V2.0 prediction for protein S100-A4 (P26447) · a predicted model of the same protein · chain A against A, TM-score 0.88

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 P26447
Elsewhere: RCSB PDB 2Q91 · PDBe 2Q91 · UniProt P26447

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