MolNFT v1 · #85443 · protein

3D structure of dotu from francisella novicida

4ACL · Tssl: “3D structure of dotu from francisella novicida”. X-ray diffraction, 2 ligands (AU, NA), 3 pockets (best druggability 0.43). MolNFT v1 #85443 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4ACL
Type: protein
Length: 310 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tssl
UniProt: A0Q7H7
Ligands: AU, NA
Pockets: 3 · best druggability 0.43

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 1% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Tssl	protein	155	73% helix, 1% strand	A0Q7H7

Ligands and binding sites

AU · Gold ion · metal · 12 copies · chains A, B
NA · Sodium ion · metal
EDO · 1,2-ethanediol · additive · 2 copies · chains A

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

Pockets

3 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	161	0.43	0.74	23	AU
2	104	0.38	0.75	19	EDO
3	103	0.37	0.74	18	empty

Interfaces

1 interface between chains.

A–B · 538 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

4ACL · 3D Structure of DotU from Francisella novicida · 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
Every structure of UniProt A0Q7H7
Elsewhere: RCSB PDB 4ACL · PDBe 4ACL · UniProt A0Q7H7

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