MolNFT v1 · #111575 · protein

Crystal structure of photoactivated adenylyl cyclase of a cyanobacteriaoscillatoria acuminata in orthorhombic form

4YUT · Family 3 adenylate cyclase: “Crystal structure of photoactivated adenylyl cyclase of a cyanobacteriaoscillatoria acuminata in orthorhombic…”. X-ray diffraction, 1 ligand (FMN), 10 pockets (best druggability 0.80). MolNFT v1 #111575…

PDB: 4YUT
Type: protein
Length: 702 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Family 3 adenylate cyclase
EC: 4.6.1.1
UniProt: K9TLZ5
Ligands: FMN
Pockets: 10 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Family 3 adenylate cyclase (EC 4.6.1.1)	protein	351	44% helix, 26% strand	K9TLZ5

Ligands and binding sites

FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B

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

Pockets

10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	968	0.80	0.81	84	empty
2	198	0.65	0.84	22	FMN
3	155	0.61	0.84	20	FMN
4	233	0.52	0.76	38	empty
5	166	0.47	0.76	29	empty

Interfaces

1 interface between chains.

A–B · 4165 Å² buried · 25 hydrogen bonds · protein-protein

Compared structures

4YUT · Crystal structure of photoactivated adenylyl cyclase of a cyanobacteriaOscillatoria… · 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 K9TLZ5
Elsewhere: RCSB PDB 4YUT · PDBe 4YUT · UniProt K9TLZ5

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