MolNFT v1 · #99389 · protein

Crystal structure of hypothetical protein SAV0944 from staphylococcus aureus subsp. aureus MU50

4M20 · Uncharacterized protein: “Crystal structure of hypothetical protein SAV0944 from staphylococcus aureus subsp. aureus MU50”. X-ray diffraction, 1 ligand (COA), 5 pockets (best druggability 0.75). MolNFT v1 #99389 on GenesisL1: 3D…

PDB: 4M20
Type: protein
Length: 483 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Uncharacterized protein
UniProt: Q99VD7
Ligands: COA
Pockets: 5 · best druggability 0.75

Structure

x-ray diffraction · 3 distinct chains · 22% helix, 49% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Uncharacterized protein	protein	121	22% helix, 48% strand	Q99VD7
B, C	Uncharacterized protein	protein	121	21% helix, 50% strand	Q99VD7
D	Uncharacterized protein	protein	120	21% helix, 48% strand	Q99VD7

Ligands and binding sites

COA · Coenzyme A · ligand · 2 copies · chains A, B, D, C

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

Pockets

5 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	520	0.75	0.83	81	COA
2	310	0.68	0.82	46	COA
3	263	0.63	0.81	41	empty
4	74	0.41	0.80	14	empty
5	91	0.40	0.77	18	empty

Interfaces

6 interfaces between chains.

C–D · 1323 Å² buried · 21 hydrogen bonds · protein-protein
A–B · 1226 Å² buried · 21 hydrogen bonds · protein-protein
B–C · 557 Å² buried · 16 hydrogen bonds · protein-protein
A–D · 540 Å² buried · 16 hydrogen bonds · protein-protein
B–D · 297 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

4M20 · Crystal Structure of hypothetical protein SAV0944 from Staphylococcus aureus subsp.… · 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 Q99VD7
Elsewhere: RCSB PDB 4M20 · PDBe 4M20 · UniProt Q99VD7

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