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Crystal structure of a putative 3-oxoacyl-[acyl-carrier PROTEIN]REDUCTASE from helicobacter pylori 26695

Analyse Crystal structure of a putative 3-oxoacyl-[acyl-carrier PROTEIN]REDUCTASE from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4IJK
Type: protein
Length: 927 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 3-ketoacyl-acyl carrier protein reductase (fabg)
EC: 1.1.1.100
UniProt: O25286
Ligands: NA
Pockets: 5 · best druggability 0.78

Structure

x-ray diffraction · 4 distinct chains · 49% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	3-ketoacyl-acyl carrier protein reductase (fabg) (EC 1.1.1.100)	protein	236	49% helix, 17% strand	O25286
B	3-ketoacyl-acyl carrier protein reductase (fabg) (EC 1.1.1.100)	protein	225	48% helix, 17% strand	O25286
C	3-ketoacyl-acyl carrier protein reductase (fabg) (EC 1.1.1.100)	protein	237	49% helix, 16% strand	O25286
D	3-ketoacyl-acyl carrier protein reductase (fabg) (EC 1.1.1.100)	protein	229	49% helix, 17% strand	O25286

Ligands and binding sites

NA · Sodium ion · metal · chains B, C

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

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	947	0.78	0.80	74	empty
2	317	0.59	0.77	43	empty
3	354	0.59	0.76	41	empty
4	264	0.51	0.75	40	empty
5	183	0.47	0.75	33	empty

Interfaces

6 interfaces between chains.

A–D · 1614 Å² buried · 14 hydrogen bonds · protein-protein
B–C · 1608 Å² buried · 15 hydrogen bonds · protein-protein
C–D · 1491 Å² buried · 22 hydrogen bonds · protein-protein
A–B · 1454 Å² buried · 21 hydrogen bonds · protein-protein
A–C · 169 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

4IJK · Crystal structure of a putative 3-oxoacyl-[acyl-carrier protein]reductase from… · 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 O25286
Elsewhere: RCSB PDB 4IJK · PDBe 4IJK · UniProt O25286

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