MolNFT v1 · #184519 · protein

DENOVOTIM6-sb, a de novo designed tim barrel with a salt-bridge cluster (crystal form 1)

7OSV: “DENOVOTIM6-sb, a de novo designed tim barrel with a salt-bridge cluster (crystal form 1)”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.54). MolNFT v1 #184519 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 7OSV
Type: protein
Length: 173 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: DENOVOTIM6-sb
Ligands: SO4
Pockets: 1 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	DENOVOTIM6-sb	protein	173	41% helix, 23% strand	—

Ligands and binding sites

SO4 · Sulfate ion · ion · chains A
ACT · Acetate ion · additive · 2 copies · chains A
PEG · Di(hydroxyethyl)ether · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	67	0.54	0.87	11	ACT

Compared structures

7OSV · DeNovoTIM6-SB, a de novo designed TIM barrel with a salt-bridge cluster (crystal form 1) · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 7OSV · PDBe 7OSV

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