MolNFT v1 · #50492 · protein

Crystal structure analysis of a surface entropy reduction mutant of S. pneumoniae fabf

2RJT · Beta-ketoacyl-acp synthase II: “Crystal structure analysis of a surface entropy reduction mutant of S. pneumoniae fabf”. X-ray diffraction, 10 pockets (best druggability 0.81). MolNFT v1 #50492 on GenesisL1: 3D structure, binding…

PDB: 2RJT
Type: protein
Length: 1,632 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-ketoacyl-acp synthase II
EC: 2.3.1.41
UniProt: Q9FBC2
Pockets: 10 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D, C, B	Beta-ketoacyl-acp synthase II (EC 2.3.1.41)	protein	408	39% helix, 22% strand	Q9FBC2

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1060	0.81	0.82	84	empty
2	452	0.79	0.87	74	empty
3	208	0.72	0.88	34	empty
4	316	0.71	0.84	48	empty
5	145	0.63	0.86	33	empty

Interfaces

4 interfaces between chains.

D–C · 3046 Å² buried · 27 hydrogen bonds · protein-protein
A–B · 3028 Å² buried · 24 hydrogen bonds · protein-protein
D–B · 694 Å² buried · 5 hydrogen bonds · protein-protein
A–D · 232 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

2RJT · Crystal Structure Analysis of a Surface Entropy Reduction Mutant of S. pneumoniae FabF · 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 Q9FBC2
Elsewhere: RCSB PDB 2RJT · PDBe 2RJT · UniProt Q9FBC2

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