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The crystal structure of bacillus subtilis mobb

Analyse The crystal structure of bacillus subtilis mobb in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4NKR
Type: protein
Length: 758 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Molybdopterin-guanine dinucleotide biosynthesis protein B
UniProt: E0U3U4
Ligands: SO4
Pockets: 8 · best druggability 0.73

Structure

x-ray diffraction · 3 distinct chains · 29% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, D	Molybdopterin-guanine dinucleotide biosynthesis protein B	protein	148	29% helix, 28% strand	E0U3U4
B	Molybdopterin-guanine dinucleotide biosynthesis protein B	protein	151	31% helix, 29% strand	E0U3U4
E	Molybdopterin-guanine dinucleotide biosynthesis protein B	protein	163	28% helix, 26% strand	E0U3U4

Ligands and binding sites

SO4 · Sulfate ion · ion · 13 copies · chains A, B, C, D, E

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	562	0.73	0.81	57	SO4
2	346	0.63	0.79	38	empty
3	158	0.52	0.79	24	empty
4	156	0.52	0.79	21	empty
5	106	0.34	0.73	17	SO4

Interfaces

5 interfaces between chains.

B–E · 2453 Å² buried · 41 hydrogen bonds · protein-protein
C–D · 2071 Å² buried · 32 hydrogen bonds · protein-protein
A–C · 705 Å² buried · 10 hydrogen bonds · protein-protein
A–B · 279 Å² buried · 3 hydrogen bonds · protein-protein
B–C · 111 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

4NKR · The Crystal structure of Bacillus subtilis MobB · 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 E0U3U4
Elsewhere: RCSB PDB 4NKR · PDBe 4NKR · UniProt E0U3U4

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