MolNFT v1 · #98600 · protein

Structure of an unusual S-adenosylmethionine synthetase from campylobacter jejuni

4LE5: “Structure of an unusual S-adenosylmethionine synthetase from campylobacter jejuni”. X-ray diffraction, 10 pockets (best druggability 0.77). MolNFT v1 #98600 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4LE5
Type: protein
Length: 774 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: S-adenosylmethionine synthetase
EC: 2.5.1.6
UniProt: Q5HU08
Pockets: 10 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	S-adenosylmethionine synthetase (EC 2.5.1.6)	protein	388	33% helix, 21% strand	Q5HU08
B	S-adenosylmethionine synthetase (EC 2.5.1.6)	protein	386	33% helix, 20% strand	Q5HU08

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	513	0.77	0.84	62	empty
2	294	0.75	0.88	39	empty
3	856	0.75	0.79	76	empty
4	71	0.64	0.92	20	empty
5	50	0.60	0.93	18	empty

Interfaces

1 interface between chains.

A–B · 2588 Å² buried · 35 hydrogen bonds · protein-protein

Compared structures

4LE5 · Structure of an Unusual S-adenosylmethionine synthetase from Campylobacter jejuni · 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 Q5HU08
Elsewhere: RCSB PDB 4LE5 · PDBe 4LE5 · UniProt Q5HU08

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