MolNFT v1 · #119934 · protein

The structure of the H302A mutant of stld

5GK2 · Ketosynthase stld: “The structure of the H302A mutant of stld”. X-ray diffraction, 15 pockets (best druggability 0.79). MolNFT v1 #119934 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5GK2
Type: protein
Length: 1,514 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ketosynthase stld
UniProt: Q7N4Z6
Pockets: 15 · best druggability 0.79

Structure

x-ray diffraction · 3 distinct chains · 38% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ketosynthase stld	protein	380	38% helix, 24% strand	Q7N4Z6
B, C	Ketosynthase stld	protein	379	38% helix, 24% strand	Q7N4Z6
D	Ketosynthase stld	protein	376	38% helix, 25% strand	Q7N4Z6

Pockets

15 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	123	0.79	0.97	35	empty
2	371	0.77	0.87	89	empty
3	915	0.77	0.80	107	empty
4	396	0.75	0.86	91	empty
5	57	0.71	0.97	22	empty

Interfaces

3 interfaces between chains.

C–D · 2954 Å² buried · 26 hydrogen bonds · protein-protein
A–B · 2921 Å² buried · 26 hydrogen bonds · protein-protein
B–C · 595 Å² buried · 15 hydrogen bonds · protein-protein

Compared structures

5GK2 · The structure of the H302A mutant of StlD · 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 Q7N4Z6
Elsewhere: RCSB PDB 5GK2 · PDBe 5GK2 · UniProt Q7N4Z6

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