MolNFT v1 · #184510 · protein

Ignisphaera aggregans GH53 catalytic domain

7OSK · Arabinogalactan endo-1,4-beta-galactosidase: “Ignisphaera aggregans GH53 catalytic domain”. X-ray diffraction, 2 ligands (CA, CL), 4 pockets (best druggability 0.55). MolNFT v1 #184510 on GenesisL1: 3D structure, binding sites and…

PDB: 7OSK
Type: protein
Length: 720 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Arabinogalactan endo-1,4-beta-galactosidase
EC: 3.2.1.89
UniProt: E0SSW8
Ligands: CA, CL
Pockets: 4 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Arabinogalactan endo-1,4-beta-galactosidase (EC 3.2.1.89)	protein	360	38% helix, 16% strand	E0SSW8

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains A, B
CL · Chloride ion · ion · 2 copies · chains A, B
HEZ · Hexane-1,6-diol · additive · 7 copies · chains A, B

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

Pockets

4 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	197	0.55	0.79	24	HEZ
2	181	0.55	0.79	21	HEZ
3	54	0.26	0.73	12	empty
4	50	0.23	0.73	14	empty

Interfaces

1 interface between chains.

A–B · 93 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

7OSK · Ignisphaera aggregans GH53 catalytic domain · 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 E0SSW8
Elsewhere: RCSB PDB 7OSK · PDBe 7OSK · UniProt E0SSW8

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