MolNFT v1 · #15608 · protein

Design of stable alpha-helical arrays from an idealized tpr motif

1NA0 · Designed protein CTPR3: “Design of stable alpha-helical arrays from an idealized tpr motif”. X-ray diffraction, 5 ligands (IPT, PB, NA), 1 pocket (best druggability 0.37). MolNFT v1 #15608 on GenesisL1: 3D structure, binding sites…

PDB: 1NA0
Type: protein
Length: 238 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Designed protein CTPR3
Ligands: IPT, PB, NA, MG, CL
Pockets: 1 · best druggability 0.37

Structure

x-ray diffraction · 1 distinct chain · 81% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Designed protein CTPR3	protein	119	81% helix, 0% strand	—

Ligands and binding sites

IPT · 1-methylethyl 1-thio-beta-D-galactopyranoside · ligand · 2 copies · chains B
PB · Lead (II) ion · metal · 5 copies · chains A, B
NA · Sodium ion · metal · 2 copies · chains B
MG · Magnesium ion · metal · chains B
CL · Chloride ion · ion · chains B
ACT · Acetate ion · additive · chains B

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

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	0.37	0.79	12	empty

Interfaces

1 interface between chains.

A–B · 192 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

1NA0 · Design of Stable alpha-Helical Arrays from an Idealized TPR Motif · 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 1NA0 · PDBe 1NA0

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