MolNFT v1 · #154334 · protein

Crystal structure of a GH18 chitinase from pseudoalteromonas aurantia

6K7Z · GH18 chiitnase: “Crystal structure of a GH18 chitinase from pseudoalteromonas aurantia”. X-ray diffraction, 9 pockets (best druggability 0.78). MolNFT v1 #154334 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6K7Z
Type: protein
Length: 1,100 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: GH18 chiitnase
Pockets: 9 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 44% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	GH18 chiitnase	protein	277	44% helix, 20% strand	—
C, D	GH18 chiitnase	protein	273	44% helix, 19% strand	—

Pockets

9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	694	0.78	0.83	94	empty
2	129	0.60	0.85	22	empty
3	198	0.58	0.81	37	empty
4	197	0.47	0.75	23	empty
5	136	0.47	0.78	22	empty

Interfaces

5 interfaces between chains.

B–C · 390 Å² buried · 6 hydrogen bonds · protein-protein
A–C · 380 Å² buried · 5 hydrogen bonds · protein-protein
B–D · 342 Å² buried · 1 hydrogen bond · protein-protein
C–D · 319 Å² buried · 5 hydrogen bonds · protein-protein
A–B · 310 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

6K7Z · Crystal structure of a GH18 chitinase from Pseudoalteromonas aurantia · 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
Elsewhere: RCSB PDB 6K7Z · PDBe 6K7Z

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