MolNFT v1 · #127842 · protein

S-layer protein rsaa from C. crescentus

5N8P: “S-layer protein rsaa from C. crescentus”. X-ray diffraction, 1 ligand (CA), 7 pockets (best druggability 0.44). MolNFT v1 #127842 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5N8P
Type: protein
Length: 4,668 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: S-layer protein
UniProt: P35828
Ligands: CA
Pockets: 7 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain · 2% helix, 43% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F	S-layer protein	protein	778	2% helix, 43% strand	P35828

Ligands and binding sites

CA · Calcium ion · metal · 114 copies · chains A, B, C, D, E, F

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

Pockets

7 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	170	0.44	0.75	34	empty
2	182	0.44	0.74	36	empty
3	155	0.43	0.75	22	empty
4	76	0.36	0.77	21	empty
5	51	0.29	0.76	13	empty

Interfaces

6 interfaces between chains.

A–B · 584 Å² buried · 6 hydrogen bonds · protein-protein
E–F · 573 Å² buried · 3 hydrogen bonds · protein-protein
C–D · 426 Å² buried · 2 hydrogen bonds · protein-protein
A–C · 349 Å² buried · 3 hydrogen bonds · protein-protein
D–F · 261 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

5N8P · S-layer protein RsaA from C. crescentus · the same entry in another collection · chain C against C, TM-score 1.00
P35828 · AlphaFold monomer V2.0 prediction for S-layer protein (P35828) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P35828
Elsewhere: RCSB PDB 5N8P · PDBe 5N8P · UniProt P35828

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