MolNFT v1 · #68974 · protein

Crystal structure of hypothetical protein from staphylococcus aureus

3KBY · Putative uncharacterized protein: “Crystal structure of hypothetical protein from staphylococcus aureus”. X-ray diffraction, 4 pockets (best druggability 0.60). MolNFT v1 #68974 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 3KBY
Type: protein
Length: 290 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative uncharacterized protein
UniProt: Q7WTC8
Pockets: 4 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 60% helix, 3% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Putative uncharacterized protein	protein	145	60% helix, 3% strand	Q7WTC8

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 9 copies · chains A, B

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

Pockets

4 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	281	0.60	0.79	34	EDO
2	75	0.39	0.78	18	empty
3	68	0.35	0.76	13	EDO
4	57	0.35	0.78	14	EDO

Interfaces

1 interface between chains.

A–B · 1374 Å² buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 modified (engineered).

Compared structures

3KBY · Crystal structure of hypothetical protein from Staphylococcus aureus · 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 Q7WTC8
Elsewhere: RCSB PDB 3KBY · PDBe 3KBY · UniProt Q7WTC8

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