MolNFT v1 · #153094 · protein

Crystal structure of maltotriose-complex of pula from klebsiella pneumoniae

6J34 · Pullulanase: “Crystal structure of maltotriose-complex of pula from klebsiella pneumoniae”. X-ray diffraction, 2 ligands (GLC, MG), 8 pockets (best druggability 0.63). MolNFT v1 #153094 on GenesisL1: 3D structure, binding sites and…

PDB: 6J34
Type: protein
Length: 930 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pullulanase
UniProt: W9BQ28
Ligands: GLC, MG
Pockets: 8 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pullulanase	protein	930	31% helix, 22% strand	W9BQ28

Ligands and binding sites

GLC · alpha-D-glucopyranose · sugar · 6 copies · chains A
MG · Magnesium ion · metal · 4 copies · chains A
GOL · Glycerol · additive · 4 copies · chains A
ACT · Acetate ion · additive · chains A

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

Pockets

8 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	259	0.63	0.81	39	empty
2	301	0.59	0.78	37	GLC
3	150	0.48	0.78	25	empty
4	145	0.42	0.75	20	empty
5	51	0.37	0.80	14	empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

6J34 · Crystal Structure of maltotriose-complex of PulA from Klebsiella pneumoniae · 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 6J34 · PDBe 6J34 · UniProt W9BQ28

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