MolNFT v1 · #52961 · protein

Crystal structure of kasa of mycobacterium tuberculosis

2WGD · 3-oxoacyl-[acyl-carrier-protein] synthase 1: “Crystal structure of kasa of mycobacterium tuberculosis”. X-ray diffraction, 1 ligand (NA), 3 pockets (best druggability 0.63). MolNFT v1 #52961 on GenesisL1: 3D structure, binding sites…

PDB: 2WGD
Type: protein
Length: 415 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3-oxoacyl-[acyl-carrier-protein] synthase 1
EC: 2.3.1.41
UniProt: P63454
Ligands: NA
Pockets: 3 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3-oxoacyl-[acyl-carrier-protein] synthase 1 (EC 2.3.1.41)	protein	415	38% helix, 20% strand	P63454

Ligands and binding sites

NA · Sodium ion · metal · chains A
GOL · Glycerol · additive · 4 copies · chains A
IPA · Isopropyl alcohol · additive · chains A

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	112	0.63	0.88	31	IPA
2	96	0.52	0.83	22	GOL
3	52	0.24	0.72	16	GOL

Compared structures

2WGD · Crystal structure of KasA of Mycobacterium tuberculosis · 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 P63454
Elsewhere: RCSB PDB 2WGD · PDBe 2WGD · UniProt P63454

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