Research workbench

Crystal structure of ralstonia sp. alcohol dehydrogenase in its apo form

Analyse Crystal structure of ralstonia sp. alcohol dehydrogenase in its apo form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4I5D
Type: protein
Length: 1,864 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alclohol DEHYDROGENASE/SHORT-chain dehydrogenase
UniProt: C0IR58
Ligands: SO4
Pockets: 18 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
H, A, B, C, D, E, F, G	Alclohol DEHYDROGENASE/SHORT-chain dehydrogenase	protein	233	48% helix, 20% strand	C0IR58

Ligands and binding sites

SO4 · Sulfate ion · ion · 8 copies · chains A, B, C, D, E, F, G, H

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

Pockets

18 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1112	0.84	0.85	85	empty
2	1186	0.84	0.85	89	empty
3	386	0.64	0.79	39	SO4
4	400	0.64	0.78	41	SO4
5	396	0.64	0.78	38	SO4

Interfaces

13 interfaces between chains.

F–G · 1628 Å² buried · 34 hydrogen bonds · protein-protein
H–A · 1619 Å² buried · 30 hydrogen bonds · protein-protein
B–C · 1616 Å² buried · 31 hydrogen bonds · protein-protein
D–E · 1615 Å² buried · 31 hydrogen bonds · protein-protein
A–C · 1540 Å² buried · 28 hydrogen bonds · protein-protein

Compared structures

4I5D · Crystal structure of Ralstonia sp. alcohol dehydrogenase in its apo form · the same entry in another collection · chain H against H, 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 C0IR58
Elsewhere: RCSB PDB 4I5D · PDBe 4I5D · UniProt C0IR58

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.