MolNFT v1 · #22246 · protein

Crystal structure analysis of the 6-oxo camphor hydrolase HIS122ALA mutant bound to its natural product (2S,4S)-alpha-campholinic acid

1SZO · 6-oxocamphor hydrolase: “Crystal structure analysis of the 6-oxo camphor hydrolase HIS122ALA mutant bound to its natural product…”. X-ray diffraction, 2 ligands (CAX, CA), 20 pockets (best druggability 0.90). MolNFT v1 #22246 on…

PDB: 1SZO
Type: protein
Length: 2,984 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 6-oxocamphor hydrolase
UniProt: Q93TU6
Ligands: CAX, CA
Pockets: 20 · best druggability 0.90

Structure

x-ray diffraction · 4 distinct chains · 51% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, G, I, J, K	6-oxocamphor hydrolase	protein	249	51% helix, 18% strand	Q93TU6
B, C, E, H	6-oxocamphor hydrolase	protein	248	51% helix, 18% strand	Q93TU6
D	6-oxocamphor hydrolase	protein	251	50% helix, 18% strand	Q93TU6
F, L	6-oxocamphor hydrolase	protein	248	51% helix, 18% strand	Q93TU6

Ligands and binding sites

CAX · (2S,4S)-4-(2,2-dihydroxyethyl)-2,3,3-trimethylcyclopentanone · ligand · 12 copies · chains A, B, C, D, E, F, G, H, I, J, K, L
CA · Calcium ion · metal · 4 copies · chains A, B, C, D, E, F, G, H, I, J, K, L

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	993	0.90	0.93	130	CA
2	720	0.89	0.93	92	CA
3	395	0.86	0.94	45	empty
4	344	0.86	0.95	45	empty
5	361	0.86	0.95	47	empty

Interfaces

32 interfaces between chains.

H–K · 1405 Å² buried · 21 hydrogen bonds · protein-protein
A–D · 1376 Å² buried · 20 hydrogen bonds · protein-protein
C–F · 1364 Å² buried · 22 hydrogen bonds · protein-protein
B–E · 1351 Å² buried · 18 hydrogen bonds · protein-protein
D–E · 1336 Å² buried · 20 hydrogen bonds · protein-protein

Compared structures

1SZO · Crystal Structure Analysis of the 6-Oxo Camphor Hydrolase His122Ala Mutant Bound to Its… · the same entry in another collection · chain L against L, 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 Q93TU6
Elsewhere: RCSB PDB 1SZO · PDBe 1SZO · UniProt Q93TU6

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.