MolNFT v1 · #78176 · protein

Crystal structure of a plant albumin from cicer arietinum showing hemagglutination

3S18 · Lectin: “Crystal structure of a plant albumin from cicer arietinum showing hemagglutination”. X-ray diffraction, 5 ligands (CA, NA, CL), 3 pockets (best druggability 0.41). MolNFT v1 #78176 on GenesisL1: 3D structure, binding sites…

PDB: 3S18
Type: protein
Length: 448 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lectin
Ligands: CA, NA, CL, SO4, IOD
Pockets: 3 · best druggability 0.41

Structure

x-ray diffraction · 1 distinct chain · 17% helix, 40% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Lectin	protein	224	17% helix, 40% strand	—

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains A, B
NA · Sodium ion · metal · chains A
CL · Chloride ion · ion · 3 copies · chains A, B
SO4 · Sulfate ion · ion · 2 copies · chains A, B
IOD · Iodide ion · ion · 2 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	50	0.41	0.83	14	empty
2	50	0.36	0.80	13	empty
3	57	0.36	0.78	15	empty

Interfaces

1 interface between chains.

A–B · 711 Å² buried · 12 hydrogen bonds · protein-protein

Compared structures

3S18 · Crystal structure of a plant albumin from cicer arietinum showing hemagglutination · 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
Elsewhere: RCSB PDB 3S18 · PDBe 3S18

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