MolNFT v1 · #127746 · protein

Crystal structure of ruminococcus flavefaciens' type III complex containing the fifth cohesin from scaffoldin B and the dockerin from scaffoldin a

5N5P · Putative cellulosomal scaffoldin protein: “Crystal structure of ruminococcus flavefaciens' type III complex containing the fifth cohesin from scaffoldin…”. X-ray diffraction, 2 ligands (CCN, CA), 1 pocket (best druggability 0.37).…

PDB: 5N5P
Type: protein
Length: 449 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative cellulosomal scaffoldin protein
UniProt: A0AEF4, A0AEF3
Ligands: CCN, CA
Pockets: 1 · best druggability 0.37

Structure

x-ray diffraction · 3 distinct chains · 12% helix, 44% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Putative cellulosomal scaffoldin protein	protein	138	2% helix, 56% strand	A0AEF4
B, D	Putative cellulosomal scaffoldin protein	protein	87	41% helix, 5% strand	A0AEF3
C	Putative cellulosomal scaffoldin protein	protein	137	2% helix, 56% strand	A0AEF4

Ligands and binding sites

CCN · Acetonitrile · ligand · chains A
CA · Calcium ion · metal · 4 copies · chains B, D

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	87	0.37	0.76	20	empty

Interfaces

3 interfaces between chains.

A–B · 791 Å² buried · 9 hydrogen bonds · protein-protein
C–D · 784 Å² buried · 6 hydrogen bonds · protein-protein
A–C · 432 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

5N5P · Crystal structure of Ruminococcus flavefaciens' type III complex containing the fifth… · 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 A0AEF4
Every structure of UniProt A0AEF3
Elsewhere: RCSB PDB 5N5P · PDBe 5N5P · UniProt A0AEF4 · UniProt A0AEF3

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