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H/L (SLPH/SLPL) complex from C. difficile (CD630 strain)

Analyse H/L (SLPH/SLPL) complex from C. difficile (CD630 strain) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7ACY
Type: protein
Length: 1,382 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: S-layer protein
UniProt: Q183M8
Ligands: SO4
Pockets: 9 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C	S-layer protein	protein	318	25% helix, 31% strand	Q183M8
B, D	S-layer protein	protein	373	39% helix, 18% strand	Q183M8

Ligands and binding sites

SO4 · Sulfate ion · ion · 3 copies · chains A, B, C

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

Pockets

9 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	1181	0.70	0.75	110	empty
2	522	0.66	0.77	46	SO4
3	476	0.64	0.77	50	SO4
4	81	0.38	0.77	14	empty
5	89	0.36	0.75	20	empty

Interfaces

5 interfaces between chains.

C–D · 2465 Å² buried · 44 hydrogen bonds · protein-protein
A–B · 2453 Å² buried · 41 hydrogen bonds · protein-protein
B–D · 586 Å² buried · 6 hydrogen bonds · protein-protein
B–C · 536 Å² buried · 8 hydrogen bonds · protein-protein
A–D · 524 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

7ACY · H/L (SLPH/SLPL) complex from C. difficile (CD630 strain) · 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 Q183M8
Elsewhere: RCSB PDB 7ACY · PDBe 7ACY · UniProt Q183M8

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