MolNFT v2 · #158868 · protein

X-ray structure of a secreted C11 cysteine protease from Bacteroides thetaiotaomicron iotapain"

6NAG · Clostripain-related protein: “X-ray structure of a secreted C11 cysteine protease from Bacteroides thetaiotaomicron iotapain"”. X-ray diffraction at 2.683, 1 ligand (PRO), 7 pockets (best druggability 0.55). MolNFT v2 #158868 on…

PDB: 6NAG
Type: protein
Length: 701 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 2.683
Source: Bacteroides thetaiotaomicron (strain ATCC 29148 / DSM 2079 / NCTC 10582 / E50 /…
Molecule: Clostripain-related protein
UniProt: Q8A9T8
Ligands: PRO
Pockets: 7 · best druggability 0.55

Structure

x-ray diffraction · resolution 2.683 · 2 distinct chains · 36% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Clostripain-related protein	protein	351	37% helix, 25% strand	Q8A9T8
B	Clostripain-related protein	protein	350	36% helix, 26% strand	Q8A9T8

Ligands and binding sites

PRO · Proline · ligand · 3 copies · chains A, B

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

Pockets

7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	194	0.55	0.79	33	empty
2	161	0.53	0.80	29	empty
3	79	0.43	0.80	14	empty
4	90	0.42	0.78	15	empty
5	108	0.36	0.74	23	empty

Interfaces

1 interface between chains.

A–B · 475 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

6NAG · X-ray structure of a secreted C11 cysteine protease from bacteroides thetaiotaomicron… · 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 Q8A9T8
Elsewhere: RCSB PDB 6NAG · PDBe 6NAG · UniProt Q8A9T8

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