MolNFT v1 · #167649 · protein

Structure of a pseudomurein peptide ligase type C from methanothermus fervidus

6VR7 · Mur ligase middle domain protein: “Structure of a pseudomurein peptide ligase type C from methanothermus fervidus”. X-ray diffraction, 3 ligands (AAE, ZN, SO4), 2 pockets (best druggability 0.75). MolNFT v1 #167649 on GenesisL1: 3D…

PDB: 6VR7
Type: protein
Length: 485 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mur ligase middle domain protein
UniProt: E3GXV7
Ligands: AAE, ZN, SO4
Pockets: 2 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mur ligase middle domain protein	protein	485	35% helix, 21% strand	E3GXV7

Ligands and binding sites

AAE · Acetoacetic acid · ligand · chains A
ZN · Zinc ion · metal · chains A
SO4 · Sulfate ion · ion · 2 copies · chains A
GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

2 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	616	0.75	0.82	94	AAE
2	61	0.27	0.73	15	empty

Compared structures

6VR7 · Structure of a pseudomurein peptide ligase type C from Methanothermus fervidus · 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 E3GXV7
Elsewhere: RCSB PDB 6VR7 · PDBe 6VR7 · UniProt E3GXV7

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