MolNFT v1 · #179030 · protein

Apo structure of a pseudomurein peptide ligase type E from methanothermus fervidus

7JT8 · Mur ligase middle domain protein: “Apo structure of a pseudomurein peptide ligase type E from methanothermus fervidus”. X-ray diffraction, 2 ligands (MG, SO4), 4 pockets (best druggability 0.67). MolNFT v1 #179030 on GenesisL1: 3D…

PDB: 7JT8
Type: protein
Length: 482 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mur ligase middle domain protein
EC: 6.3.2.13
UniProt: E3GZ29
Ligands: MG, SO4
Pockets: 4 · best druggability 0.67

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
I	Mur ligase middle domain protein (EC 6.3.2.13)	protein	482	39% helix, 22% strand	E3GZ29

Ligands and binding sites

MG · Magnesium ion · metal · chains I
SO4 · Sulfate ion · ion · 4 copies · chains I

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	481	0.67	0.79	57	MG, SO4
2	134	0.42	0.75	23	empty
3	77	0.34	0.76	13	empty
4	65	0.29	0.74	21	empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

7JT8 · Apo structure of a pseudomurein peptide ligase type E from Methanothermus fervidus · the same entry in another collection · chain I against I, 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 E3GZ29
Elsewhere: RCSB PDB 7JT8 · PDBe 7JT8 · UniProt E3GZ29

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