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Crystal structure of a putative uncharacterized protein and possible molybdenum cofactor protein from mycobacterium smegmatis

Analyse Crystal structure of a putative uncharacterized protein and possible molybdenum… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3QUA
Type: protein
Length: 358 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative uncharacterized protein
UniProt: A0R2E9
Ligands: UNL
Pockets: 4 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Putative uncharacterized protein	protein	179	44% helix, 18% strand	A0R2E9

Ligands and binding sites

UNL · Unknown ligand · metal · 2 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	168	0.65	0.86	33	UNL
2	155	0.62	0.85	32	UNL
3	70	0.39	0.79	15	empty
4	89	0.39	0.77	20	empty

Interfaces

1 interface between chains.

A–B · 1738 Å² buried · 21 hydrogen bonds · protein-protein

Compared structures

3QUA · Crystal structure of a putative uncharacterized protein and possible Molybdenum cofactor… · 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 A0R2E9
Elsewhere: RCSB PDB 3QUA · PDBe 3QUA · UniProt A0R2E9

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