MolNFT v1 · #83163 · protein

Crystal structure of monomeric frac (second crystal form)

3W9P · Fragaceatoxin C: “Crystal structure of monomeric frac (second crystal form)”. X-ray diffraction, 4 pockets (best druggability 0.54). MolNFT v1 #83163 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3W9P
Type: protein
Length: 349 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fragaceatoxin C
UniProt: B9W5G6
Pockets: 4 · best druggability 0.54

Structure

x-ray diffraction · 2 distinct chains · 13% helix, 48% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Fragaceatoxin C	protein	175	13% helix, 49% strand	B9W5G6
B	Fragaceatoxin C	protein	174	13% helix, 48% strand	B9W5G6

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	253	0.54	0.77	26	empty
2	320	0.53	0.74	35	empty
3	77	0.34	0.75	15	empty
4	70	0.32	0.75	17	empty

Interfaces

1 interface between chains.

A–B · 180 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

3W9P · Crystal structure of monomeric FraC (second crystal form) · the same entry in another collection · chain A against A, TM-score 1.00
B9W5G6 · AlphaFold monomer V2.0 prediction for delta-actitoxin-AFR1A (B9W5G6) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 B9W5G6
Elsewhere: RCSB PDB 3W9P · PDBe 3W9P · UniProt B9W5G6

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