MolNFT v1 · #52962 · protein

Crystal structure of kasa of mycobacterium tuberculosis with bound tlm

2WGE · 3-oxoacyl-[acyl-carrier-protein] synthase 1: “Crystal structure of kasa of mycobacterium tuberculosis with bound tlm”. X-ray diffraction, 2 ligands (TLM, NA), 3 pockets (best druggability 0.70). MolNFT v1 #52962 on GenesisL1: 3D…

PDB: 2WGE
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: TLM, NA
Pockets: 3 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 39% 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	39% helix, 20% strand	P63454

Ligands and binding sites

TLM · Thiolactomycin · ligand · chains A
NA · Sodium ion · metal · chains A
GOL · Glycerol · additive · 7 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	156	0.70	0.89	33	IPA, TLM
2	86	0.52	0.84	23	GOL
3	66	0.44	0.82	17	empty

Compared structures

2WGE · Crystal structure of KasA of Mycobacterium tuberculosis with bound TLM · 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 2WGE · PDBe 2WGE · UniProt P63454

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