MolNFT v1 · #144323 · protein

Crystal structure of medicago truncatula thermospermine synthase (mttsps) in complex with 5'-S-(3-aminopropyl)-5'-thioadenosine

6BQ3: “Crystal structure of medicago truncatula thermospermine synthase (mttsps) in complex with…”. X-ray diffraction, 1 ligand (DSH), 8 pockets (best druggability 0.84). MolNFT v1 #144323 on GenesisL1: 3D structure, binding sites and…

PDB: 6BQ3
Type: protein
Length: 584 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Thermospermine synthase
UniProt: G7K2D1
Ligands: DSH
Pockets: 8 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 33% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Thermospermine synthase	protein	292	36% helix, 33% strand	G7K2D1

Ligands and binding sites

DSH · 5'-S-(3-aminopropyl)-5'-thioadenosine · ligand · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	269	0.84	0.96	34	empty
2	522	0.77	0.84	65	DSH
3	511	0.76	0.84	64	DSH
4	53	0.33	0.78	11	empty
5	85	0.33	0.73	19	empty

Interfaces

1 interface between chains.

A–B · 1699 Å² buried · 27 hydrogen bonds · protein-protein

Compared structures

6BQ3 · Crystal structure of Medicago truncatula Thermospermine Synthase (MtTSPS) in complex with… · the same entry in another collection · chain B against B, 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 G7K2D1
Elsewhere: RCSB PDB 6BQ3 · PDBe 6BQ3 · UniProt G7K2D1

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