MolNFT v1 · #1521 · protein

Solution structure of rat apo-S100B using dipolar couplings

1B4C · Protein (S-100 protein, beta chain): “Solution structure of rat apo-S100B using dipolar couplings”. Solution nmr, 2 pockets (best druggability 0.60). MolNFT v1 #1521 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1B4C
Type: protein
Length: 184 residues
Chains: 2
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein (S-100 protein, beta chain)
UniProt: P04631
Pockets: 2 · best druggability 0.60

Structure

solution nmr · 1 distinct chain · 62% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Protein (S-100 protein, beta chain)	protein	92	62% helix, 2% strand	P04631

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	218	0.60	0.80	43	empty
2	165	0.49	0.77	27	empty

Interfaces

1 interface between chains.

A–B · 1376 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

1B4C · Solution structure of rat apo-S100B using dipolar couplings · the same entry in another collection · chain A against A, TM-score 1.00
P04631 · AlphaFold monomer V2.0 prediction for protein S100-B (P04631) · a predicted model of the same protein · chain A against A, TM-score 0.60

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 P04631
Elsewhere: RCSB PDB 1B4C · PDBe 1B4C · UniProt P04631

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