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B. thetaiotaomicron susd

Analyse B. thetaiotaomicron susd in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3CKC
Type: protein
Length: 1,001 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Susd
UniProt: Q8A1G2
Ligands: CA
Pockets: 8 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 6% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Susd	protein	501	46% helix, 6% strand	Q8A1G2
B	Susd	protein	500	46% helix, 6% strand	Q8A1G2

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains A, B
EDO · 1,2-ethanediol · additive · 12 copies · chains A, B
PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B
MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	969	0.71	0.75	83	EDO
2	145	0.48	0.78	25	EDO
3	139	0.47	0.77	25	empty
4	111	0.41	0.76	21	EDO, PEG
5	130	0.41	0.75	26	EDO, PEG

Interfaces

1 interface between chains.

A–B · 429 Å² buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 2 modified (oxidation).

Compared structures

3CKC · B. thetaiotaomicron SusD · the same entry in another collection · chain A against A, TM-score 1.00
Q8A1G2 · AlphaFold monomer V2.0 prediction for starch-binding protein susd (Q8A1G2) · 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 Q8A1G2
Elsewhere: RCSB PDB 3CKC · PDBe 3CKC · UniProt Q8A1G2

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