MolNFT v1 · #48880 · protein

Sall-Y70T with SAM and cl

2Q6O · Hypothetical protein: “Sall-Y70T with SAM and cl”. X-ray diffraction, 2 ligands (SAM, CL), 3 pockets (best druggability 0.74). MolNFT v1 #48880 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2Q6O
Type: protein
Length: 538 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hypothetical protein
UniProt: A4X3Q0
Ligands: SAM, CL
Pockets: 3 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 24% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Hypothetical protein	protein	269	24% helix, 29% strand	A4X3Q0

Ligands and binding sites

SAM · S-adenosylmethionine · ligand · 2 copies · chains A, B
CL · Chloride ion · ion · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	798	0.74	0.79	66	empty
2	194	0.45	0.74	25	empty
3	61	0.34	0.77	15	empty

Interfaces

1 interface between chains.

A–B · 495 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

2Q6O · SalL-Y70T with SAM and Cl · the same entry in another collection · chain B against B, TM-score 1.00
A4X3Q0 · AlphaFold monomer V2.0 prediction for adenosyl-chloride synthase (A4X3Q0) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 A4X3Q0
Elsewhere: RCSB PDB 2Q6O · PDBe 2Q6O · UniProt A4X3Q0

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