MolNFT v1 · #57212 · protein

Crystal structure of alginate lyase from agrobacterium tumefaciens C58

3A0O · Oligo alginate lyase: “Crystal structure of alginate lyase from agrobacterium tumefaciens C58”. X-ray diffraction, 1 ligand (CL), 17 pockets (best druggability 0.84). MolNFT v1 #57212 on GenesisL1: 3D structure, binding sites and…

PDB: 3A0O
Type: protein
Length: 1,527 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Oligo alginate lyase
EC: 4.2.2.-
UniProt: A9CEJ9
Ligands: CL
Pockets: 17 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Oligo alginate lyase (EC 4.2.2.-)	protein	764	35% helix, 24% strand	A9CEJ9
B	Oligo alginate lyase (EC 4.2.2.-)	protein	763	34% helix, 24% strand	A9CEJ9

Ligands and binding sites

CL · Chloride ion · ion · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	193	0.84	0.97	38	empty
2	151	0.81	0.97	32	empty
3	751	0.73	0.78	76	empty
4	359	0.70	0.83	36	empty
5	338	0.69	0.83	33	empty

Interfaces

1 interface between chains.

A–B · 921 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

3A0O · Crystal structure of alginate lyase from Agrobacterium tumefaciens C58 · 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 A9CEJ9
Elsewhere: RCSB PDB 3A0O · PDBe 3A0O · UniProt A9CEJ9

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