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Crystal structure of apo-form furx

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

PDB: 3S1L
Type: protein
Length: 1,356 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Zinc-containing alcohol dehydrogenase superfamily
UniProt: Q46UZ9
Ligands: ZN
Pockets: 14 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Zinc-containing alcohol dehydrogenase superfamily	protein	339	31% helix, 29% strand	Q46UZ9

Ligands and binding sites

ZN · Zinc ion · metal · 8 copies · chains A, B, C, D
P6G · Hexaethylene glycol · additive · 4 copies · chains A, B, C, D

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

Pockets

14 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	485	0.78	0.86	76	P6G
2	484	0.78	0.86	66	P6G
3	490	0.78	0.85	72	P6G
4	483	0.77	0.85	74	P6G
5	387	0.62	0.77	43	empty

Interfaces

6 interfaces between chains.

C–D · 1621 Å² buried · 22 hydrogen bonds · protein-protein
A–B · 1612 Å² buried · 21 hydrogen bonds · protein-protein
A–C · 571 Å² buried · 3 hydrogen bonds · protein-protein
B–D · 570 Å² buried · 2 hydrogen bonds · protein-protein
A–D · 565 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

3S1L · Crystal Structure of Apo-form FurX · 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 Q46UZ9
Elsewhere: RCSB PDB 3S1L · PDBe 3S1L · UniProt Q46UZ9

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