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Crystal structure of mutant of (Q32A) thioesterase enzyme SAV0944 from staphylococcus aureus subsp. aureus MU50

Analyse Crystal structure of mutant of (Q32A) thioesterase enzyme SAV0944 from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4YBV
Type: protein
Length: 484 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Uncharacterized protein
UniProt: Q99VD7
Pockets: 3 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 21% helix, 48% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Uncharacterized protein	protein	121	21% helix, 48% strand	Q99VD7

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	743	0.77	0.82	83	empty
2	402	0.69	0.81	49	empty
3	316	0.69	0.83	37	empty

Interfaces

6 interfaces between chains.

C–D · 1217 Å² buried · 22 hydrogen bonds · protein-protein
A–B · 1198 Å² buried · 22 hydrogen bonds · protein-protein
B–D · 588 Å² buried · 16 hydrogen bonds · protein-protein
A–C · 581 Å² buried · 13 hydrogen bonds · protein-protein
B–C · 281 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

4YBV · Crystal Structure of mutant of (Q32A) thioesterase enzyme SAV0944 from Staphylococcus… · the same entry in another collection · chain D against D, 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 Q99VD7
Elsewhere: RCSB PDB 4YBV · PDBe 4YBV · UniProt Q99VD7

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