MolNFT v1 · #153537 · protein

Crystal structure of mutant D470A of pullulanase from paenibacillus barengoltzii complexed with maltotetraose

6JHI · Pulullanase: “Crystal structure of mutant D470A of pullulanase from paenibacillus barengoltzii complexed with maltotetraose”. X-ray diffraction, 3 ligands (GLC, CA, CL), 7 pockets (best druggability 0.57). MolNFT v1 #153537 on…

PDB: 6JHI
Type: protein
Length: 646 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pulullanase
EC: 3.2.1.41
UniProt: A0A0C5GWS2
Ligands: GLC, CA, CL
Pockets: 7 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pulullanase (EC 3.2.1.41)	protein	646	32% helix, 23% strand	A0A0C5GWS2

Ligands and binding sites

GLC · alpha-D-glucopyranose · sugar · 6 copies · chains A
CA · Calcium ion · metal · 2 copies · chains A
CL · Chloride ion · ion · 2 copies · 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	288	0.57	0.77	34	GLC
2	178	0.52	0.78	26	empty
3	67	0.40	0.80	16	empty
4	80	0.36	0.76	15	empty
5	69	0.33	0.76	24	CA

Compared structures

6JHI · Crystal structure of mutant D470A of Pullulanase from Paenibacillus barengoltzii… · 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 A0A0C5GWS2
Elsewhere: RCSB PDB 6JHI · PDBe 6JHI · UniProt A0A0C5GWS2

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