MolNFT v1 · #88585 · protein

C. crescentus mreb, single filament, ADP, A22 inhibitor

4CZG · Rod shape-determining protein mreb: “C. crescentus mreb, single filament, ADP, A22 inhibitor”. X-ray diffraction, 3 ligands (QH3, ADP, MG), 1 pocket (best druggability 0.79). MolNFT v1 #88585 on GenesisL1: 3D structure, binding…

PDB: 4CZG
Type: protein
Length: 322 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Rod shape-determining protein mreb
UniProt: B8H609
Ligands: QH3, ADP, MG
Pockets: 1 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Rod shape-determining protein mreb	protein	322	40% helix, 29% strand	B8H609

Ligands and binding sites

QH3 · 3,4-dichlorobenzyl carbamimidothioate · ligand · chains A
ADP · Adenosine-5'-diphosphate · ligand · chains A
MG · Magnesium ion · metal · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	395	0.79	0.88	65	QH3, ADP, MG

Compared structures

4CZG · C. crescentus MreB, single filament, ADP, A22 inhibitor · 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 B8H609
Elsewhere: RCSB PDB 4CZG · PDBe 4CZG · UniProt B8H609

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