MolNFT v1 · #157512 · protein

Structure of L509V CAO1 - growth condition 1

6N1Y · Carotenoid oxygenase: “Structure of L509V CAO1 - growth condition 1”. X-ray diffraction, 2 ligands (FE2, CL), 20 pockets (best druggability 0.88). MolNFT v1 #157512 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6N1Y
Type: protein
Length: 1,988 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Carotenoid oxygenase
UniProt: A0A0B0DIC8
Ligands: FE2, CL
Pockets: 20 · best druggability 0.88

Structure

x-ray diffraction · 1 distinct chain · 8% helix, 38% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Carotenoid oxygenase	protein	497	8% helix, 38% strand	A0A0B0DIC8

Ligands and binding sites

FE2 · Fe (II) ion · metal · 4 copies · chains A, B, C, D
CL · Chloride ion · ion · 4 copies · chains A, B, C, D

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

Pockets

20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1064	0.88	0.89	142	empty
2	782	0.84	0.87	104	empty
3	664	0.84	0.88	80	empty
4	631	0.84	0.88	81	empty
5	641	0.84	0.88	77	empty

Interfaces

4 interfaces between chains.

B–D · 1522 Å² buried · 37 hydrogen bonds · protein-protein
A–C · 1519 Å² buried · 37 hydrogen bonds · protein-protein
B–C · 385 Å² buried · 3 hydrogen bonds · protein-protein
A–D · 372 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

6N1Y · Structure of L509V CAO1 - growth condition 1 · 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 A0A0B0DIC8
Elsewhere: RCSB PDB 6N1Y · PDBe 6N1Y · UniProt A0A0B0DIC8

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