MolNFT v1 · #158300 · protein

Crystal structure of GH115 enzyme AXYAGU115A from amphibacillus xylanus

6NPS: “Crystal structure of GH115 enzyme AXYAGU115A from amphibacillus xylanus”. X-ray diffraction, 1 ligand (CL), 20 pockets (best druggability 0.72). MolNFT v1 #158300 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6NPS
Type: protein
Length: 1,926 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: AXYAGU115A
UniProt: K0J4X5
Ligands: CL
Pockets: 20 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	AXYAGU115A	protein	968	32% helix, 24% strand	K0J4X5
B	AXYAGU115A	protein	958	32% helix, 24% strand	K0J4X5

Ligands and binding sites

CL · Chloride ion · ion · 3 copies · chains A, B
GOL · Glycerol · additive · 19 copies · chains A, B

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

Pockets

20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	58	0.72	0.99	23	empty
2	58	0.71	0.98	23	empty
3	189	0.63	0.83	28	GOL
4	211	0.61	0.82	28	empty
5	182	0.61	0.83	31	empty

Interfaces

1 interface between chains.

A–B · 1611 Å² buried · 29 hydrogen bonds · protein-protein

Compared structures

6NPS · Crystal structure of GH115 enzyme AxyAgu115A from Amphibacillus xylanus · 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 K0J4X5
Elsewhere: RCSB PDB 6NPS · PDBe 6NPS · UniProt K0J4X5

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