MolNFT v1 · #97954 · protein

Crystal structure of N-terminal acetylated yeast SIR3 bah domain

4KUI · Regulatory protein SIR3: “Crystal structure of N-terminal acetylated yeast SIR3 bah domain”. X-ray diffraction, 2 pockets (best druggability 0.37). MolNFT v1 #97954 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4KUI
Type: protein
Length: 202 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Regulatory protein SIR3
UniProt: P06701
Pockets: 2 · best druggability 0.37

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 36% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Regulatory protein SIR3	protein	202	29% helix, 36% strand	P06701

Ligands and binding sites

IPA · Isopropyl alcohol · additive · chains A
ACY · Acetic acid · additive · chains A

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

Pockets

2 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	82	0.37	0.76	18	empty
2	51	0.25	0.73	20	empty

Modifications

Observed in the structure: 1 modified (nonstandard).

Compared structures

4KUI · Crystal structure of N-terminal acetylated yeast Sir3 BAH domain · the same entry in another collection · chain A against A, TM-score 1.00
P06701 · AlphaFold monomer V2.0 prediction for regulatory protein SIR3 (P06701) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P06701
Elsewhere: RCSB PDB 4KUI · PDBe 4KUI · UniProt P06701

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