MolNFT v1 · #98818 · protein

Crystal structure of plant lectin with two metal binding sites from cicer arietinum at 2.6 ångström resolution

4LL2: “Crystal structure of plant lectin with two metal binding sites from cicer arietinum at 2.6 ångström resolution”. X-ray diffraction, 3 ligands (NA, CA, SO4), 2 pockets (best druggability 0.39). MolNFT v1 #98818 on GenesisL1: 3D…

PDB: 4LL2
Type: protein
Length: 448 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Lectin
UniProt: G1K3R9
Ligands: NA, CA, SO4
Pockets: 2 · best druggability 0.39

Structure

x-ray diffraction · 1 distinct chain · 17% helix, 38% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Lectin	protein	224	17% helix, 38% strand	G1K3R9

Ligands and binding sites

NA · Sodium ion · metal · chains A
CA · Calcium ion · metal · chains B
SO4 · Sulfate ion · ion · 2 copies · chains A, B
PEG · Di(hydroxyethyl)ether · additive · chains B

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

Pockets

2 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	62	0.39	0.80	14	empty
2	54	0.36	0.79	13	empty

Interfaces

1 interface between chains.

A–B · 688 Å² buried · 11 hydrogen bonds · protein-protein

Compared structures

4LL2 · Crystal structure of plant lectin with two metal binding sites from cicer arietinum at… · 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 G1K3R9
Elsewhere: RCSB PDB 4LL2 · PDBe 4LL2 · UniProt G1K3R9

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