MolNFT v1 · #108296 · protein

Ketosynthase mxnb

4V2P: “Ketosynthase mxnb”. X-ray diffraction, 3 ligands (NA, PO4, CL), 4 pockets (best druggability 0.86). MolNFT v1 #108296 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4V2P
Type: protein
Length: 657 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ketosynthase
UniProt: T1SF45
Ligands: NA, PO4, CL
Pockets: 4 · best druggability 0.86

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ketosynthase	protein	328	39% helix, 25% strand	T1SF45
B	Ketosynthase	protein	329	39% helix, 25% strand	T1SF45

Ligands and binding sites

NA · Sodium ion · metal · 2 copies · chains A, B
PO4 · Phosphate ion · ion · 7 copies · chains A, B
CL · Chloride ion · ion · chains A, B
MPD · (4S)-2-methyl-2,4-pentanediol · additive · 4 copies · chains A, B

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

Pockets

4 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	959	0.86	0.87	115	MPD
2	758	0.82	0.85	74	MPD
3	132	0.50	0.80	23	PO4
4	82	0.40	0.78	13	PO4

Interfaces

1 interface between chains.

A–B · 2984 Å² buried · 56 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (oxidation).

Compared structures

4V2P · Ketosynthase MxnB · 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 T1SF45
Elsewhere: RCSB PDB 4V2P · PDBe 4V2P · UniProt T1SF45

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