MolNFT v1 · #177082 · protein

Crystal structure of sesquisabinene B synthase 1 mutant G418A and F419N

7E6W: “Crystal structure of sesquisabinene B synthase 1 mutant G418A and F419N”. X-ray diffraction, 16 pockets (best druggability 0.76). MolNFT v1 #177082 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7E6W
Type: protein
Length: 1,010 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sesquisabinene B synthase 1
UniProt: A0A0A0RDR2
Pockets: 16 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 75% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Sesquisabinene B synthase 1	protein	506	75% helix, 0% strand	A0A0A0RDR2
B	Sesquisabinene B synthase 1	protein	504	75% helix, 0% strand	A0A0A0RDR2

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	220	0.76	0.91	29	empty
2	163	0.74	0.91	28	empty
3	331	0.70	0.83	40	empty
4	480	0.69	0.80	54	empty
5	335	0.69	0.83	39	empty

Interfaces

1 interface between chains.

A–B · 399 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

7E6W · Crystal structure of Sesquisabinene B Synthase 1 mutant G418A and F419N · 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 A0A0A0RDR2
Elsewhere: RCSB PDB 7E6W · PDBe 7E6W · UniProt A0A0A0RDR2

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