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Structure of sciw bound to the RHS1 transmembrane domain from salmonella typhimurium

Analyse Structure of sciw bound to the RHS1 transmembrane domain from salmonella… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6XRR
Type: protein
Length: 1,345 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative cytoplasmic protein; Rhs repeat protein
UniProt: Q7CR57, A0A5X2E0H7
Ligands: SO4
Pockets: 20 · best druggability 0.70

Structure

x-ray diffraction · 9 distinct chains · 25% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
E, K	Putative cytoplasmic protein	protein	146	18% helix, 52% strand	Q7CR57
I	Putative cytoplasmic protein	protein	144	21% helix, 51% strand	Q7CR57
J, C	Rhs repeat protein	protein	50	60% helix, 0% strand	A0A5X2E0H7
A, F	Putative cytoplasmic protein	protein	145	19% helix, 52% strand	Q7CR57
B	Putative cytoplasmic protein	protein	147	20% helix, 51% strand	Q7CR57
D	Putative cytoplasmic protein	protein	144	19% helix, 51% strand	Q7CR57
G	Rhs repeat protein	protein	41	71% helix, 0% strand	A0A5X2E0H7
H	Putative cytoplasmic protein	protein	141	19% helix, 54% strand	Q7CR57
L	Rhs repeat protein	protein	46	63% helix, 0% strand	A0A5X2E0H7

Ligands and binding sites

SO4 · Sulfate ion · ion · 12 copies · chains E, J, A, B, D, H, K

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

Pockets

20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	505	0.70	0.80	64	empty
2	599	0.70	0.78	63	empty
3	273	0.58	0.78	35	empty
4	178	0.58	0.82	28	empty
5	205	0.58	0.80	27	empty

Interfaces

19 interfaces between chains.

A–B · 1932 Å² buried · 34 hydrogen bonds · protein-protein
H–K · 1845 Å² buried · 37 hydrogen bonds · protein-protein
E–I · 1841 Å² buried · 38 hydrogen bonds · protein-protein
D–F · 1792 Å² buried · 35 hydrogen bonds · protein-protein
I–J · 1156 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

6XRR · Structure of SciW bound to the Rhs1 Transmembrane Domain from Salmonella typhimurium · the same entry in another collection · chain F against F, 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 Q7CR57
Every structure of UniProt A0A5X2E0H7
Elsewhere: RCSB PDB 6XRR · PDBe 6XRR · UniProt Q7CR57 · UniProt A0A5X2E0H7

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