MolNFT v1 · #140811 · protein

Crystal structure of pullulanase from klebsiella pneumoniae complex at 0.1 mm beta-cyclodextrin

5YN7 · Pula protein: “Crystal structure of pullulanase from klebsiella pneumoniae complex at 0.1 mm beta-cyclodextrin”. X-ray diffraction, 2 ligands (GLC, CA), 7 pockets (best druggability 0.61). MolNFT v1 #140811 on GenesisL1: 3D…

PDB: 5YN7
Type: protein
Length: 1,054 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pula protein
UniProt: W9BQ28
Ligands: GLC, CA
Pockets: 7 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pula protein	protein	1054	28% helix, 23% strand	W9BQ28

Ligands and binding sites

GLC · alpha-D-glucopyranose · sugar · 7 copies · chains A
CA · Calcium ion · metal · 5 copies · chains A
EDO · 1,2-ethanediol · additive · chains A

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

Pockets

7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	223	0.61	0.81	37	empty
2	386	0.60	0.77	45	GLC
3	162	0.48	0.77	25	empty
4	148	0.44	0.76	25	empty
5	93	0.38	0.76	19	empty

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

5YN7 · Crystal structure of Pullulanase from Klebsiella pneumoniae complex at 0.1 mM… · 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 W9BQ28
Elsewhere: RCSB PDB 5YN7 · PDBe 5YN7 · UniProt W9BQ28

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