MolNFT v1 · #152927 · protein

Crystal structure of conserved hypothetical protein SAV0927 from staphylococcus aureus subsp. aureus MU50

6IY0: “Crystal structure of conserved hypothetical protein SAV0927 from staphylococcus aureus subsp. aureus MU50”. X-ray diffraction, 1 ligand (CL), 6 pockets (best druggability 0.70). MolNFT v1 #152927 on GenesisL1: 3D structure, binding…

PDB: 6IY0
Type: protein
Length: 727 residues
Chains: 10
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: SAV0927
UniProt: A0A0H3JQV2
Ligands: CL
Pockets: 6 · best druggability 0.70

Structure

x-ray diffraction · 9 distinct chains · 24% helix, 44% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	SAV0927	protein	70	30% helix, 43% strand	A0A0H3JQV2
B	SAV0927	protein	72	21% helix, 43% strand	A0A0H3JQV2
C	SAV0927	protein	85	29% helix, 44% strand	A0A0H3JQV2
D	SAV0927	protein	84	29% helix, 45% strand	A0A0H3JQV2
E, F	SAV0927	protein	88	26% helix, 44% strand	A0A0H3JQV2
G	SAV0927	protein	86	27% helix, 43% strand	A0A0H3JQV2
H	SAV0927	protein	87	29% helix, 44% strand	A0A0H3JQV2
I	SAV0927	protein	35	0% helix, 40% strand	A0A0H3JQV2
J	SAV0927	protein	32	0% helix, 50% strand	A0A0H3JQV2

Ligands and binding sites

CL · Chloride ion · ion · chains E

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

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	606	0.70	0.78	53	empty
2	601	0.69	0.78	57	empty
3	487	0.67	0.79	47	empty
4	221	0.57	0.79	27	empty
5	52	0.36	0.79	12	empty

Interfaces

17 interfaces between chains.

E–F · 2047 Å² buried · 46 hydrogen bonds · protein-protein
G–H · 1984 Å² buried · 43 hydrogen bonds · protein-protein
C–D · 1892 Å² buried · 37 hydrogen bonds · protein-protein
A–B · 1553 Å² buried · 31 hydrogen bonds · protein-protein
I–J · 861 Å² buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 30 modified (engineered).

Compared structures

6IY0 · Crystal structure of conserved hypothetical protein SAV0927 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 A0A0H3JQV2
Elsewhere: RCSB PDB 6IY0 · PDBe 6IY0 · UniProt A0A0H3JQV2

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