MolNFT v1 · #78923 · protein

Crystal structure of a mutant T41S of a betagamma-crystallin domain from clostridium beijerinckii

3SO0 · Clostrillin: “Crystal structure of a mutant T41S of a betagamma-crystallin domain from clostridium beijerinckii”. X-ray diffraction, 1 ligand (CA), 5 pockets (best druggability 0.57). MolNFT v1 #78923 on GenesisL1: 3D structure…

PDB: 3SO0
Type: protein
Length: 674 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Clostrillin
UniProt: A6LX94
Ligands: CA
Pockets: 5 · best druggability 0.57

Structure

x-ray diffraction · 6 distinct chains · 8% helix, 45% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, E	Clostrillin	protein	86	7% helix, 45% strand	A6LX94
B	Clostrillin	protein	87	7% helix, 39% strand	A6LX94
C	Clostrillin	protein	84	7% helix, 44% strand	A6LX94
D	Clostrillin	protein	85	7% helix, 46% strand	A6LX94
F, G	Clostrillin	protein	87	10% helix, 45% strand	A6LX94
H	Clostrillin	protein	72	10% helix, 54% strand	A6LX94

Ligands and binding sites

CA · Calcium ion · metal · 13 copies · chains A, B, C, D, E, F, G

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

Pockets

5 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	381	0.57	0.75	42	CA
2	293	0.52	0.75	29	empty
3	77	0.33	0.74	16	empty
4	53	0.27	0.73	13	empty
5	58	0.26	0.73	18	empty

Interfaces

8 interfaces between chains.

A–C · 362 Å² buried · 12 hydrogen bonds · protein-protein
E–H · 350 Å² buried · 11 hydrogen bonds · protein-protein
F–G · 339 Å² buried · 10 hydrogen bonds · protein-protein
B–D · 331 Å² buried · 8 hydrogen bonds · protein-protein
D–G · 321 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

3SO0 · Crystal structure of a mutant T41S of a betagamma-crystallin domain from Clostridium… · 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 A6LX94
Elsewhere: RCSB PDB 3SO0 · PDBe 3SO0 · UniProt A6LX94

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