MolNFT v1 · #108245 · protein

Crystal structure of the MSMEG_6754 dehydratase from mycobacterium smegmatis

4V12 · Maoc like domain protein: “Crystal structure of the MSMEG_6754 dehydratase from mycobacterium smegmatis”. X-ray diffraction, 1 ligand (POG), 2 pockets (best druggability 0.78). MolNFT v1 #108245 on GenesisL1: 3D structure, binding…

PDB: 4V12
Type: protein
Length: 337 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Maoc like domain protein
UniProt: A0R724
Ligands: POG
Pockets: 2 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 32% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Maoc like domain protein	protein	337	30% helix, 32% strand	A0R724

Ligands and binding sites

POG · (20S)-2,5,8,11,14,17-hexamethyl-3,6,9,12,15,18-hexaoxahenicosane-1,20-diol · ligand · chains A
BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · 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	925	0.78	0.80	76	POG
2	63	0.33	0.76	15	empty

Compared structures

4V12 · Crystal structure of the MSMEG_6754 dehydratase from Mycobacterium smegmatis · 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 A0R724
Elsewhere: RCSB PDB 4V12 · PDBe 4V12 · UniProt A0R724

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