MolNFT v1 · #102847 · protein

Structure of bacillus subtilis mobb

4OYH · Molybdopterin-guanine dinucleotide biosynthesis protein B: “Structure of bacillus subtilis mobb”. X-ray diffraction, 1 ligand (SO4), 6 pockets (best druggability 0.74). MolNFT v1 #102847 on GenesisL1: 3D structure, binding sites and…

PDB: 4OYH
Type: protein
Length: 746 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: 6 · best druggability 0.74

Structure

x-ray diffraction · 3 distinct chains · 30% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, D	Molybdopterin-guanine dinucleotide biosynthesis protein B	protein	148	30% helix, 27% strand	E0U3U4
B	Molybdopterin-guanine dinucleotide biosynthesis protein B	protein	152	30% helix, 28% strand	E0U3U4
E	Molybdopterin-guanine dinucleotide biosynthesis protein B	protein	150	31% helix, 29% 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

6 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	692	0.74	0.80	58	SO4
2	164	0.49	0.77	28	empty
3	128	0.47	0.78	25	empty
4	73	0.32	0.75	18	empty
5	52	0.32	0.77	9	empty

Interfaces

5 interfaces between chains.

B–E · 2187 Å² buried · 40 hydrogen bonds · protein-protein
C–D · 2061 Å² buried · 32 hydrogen bonds · protein-protein
A–C · 713 Å² buried · 11 hydrogen bonds · protein-protein
A–B · 267 Å² buried · 2 hydrogen bonds · protein-protein
B–C · 132 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

4OYH · 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 4OYH · PDBe 4OYH · UniProt E0U3U4

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