MolNFT v1 · #40026 · protein

Crystal structure of the molybdenum cofactor biosynthesis protein C (TTHA1789) from thermus theromophilus HB8

2IDE: “Crystal structure of the molybdenum cofactor biosynthesis protein C (TTHA1789) from thermus theromophilus HB8”. X-ray diffraction, 1 ligand (PO4), 19 pockets (best druggability 0.89). MolNFT v1 #40026 on GenesisL1: 3D structure…

PDB: 2IDE
Type: protein
Length: 1,769 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Molybdenum cofactor biosynthesis protein C
UniProt: Q5SHE1
Ligands: PO4
Pockets: 19 · best druggability 0.89

Structure

x-ray diffraction · 5 distinct chains · 32% helix, 33% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Molybdenum cofactor biosynthesis protein C	protein	148	33% helix, 33% strand	Q5SHE1
B, H, J, K, L	Molybdenum cofactor biosynthesis protein C	protein	148	31% helix, 33% strand	Q5SHE1
C, D, E, G	Molybdenum cofactor biosynthesis protein C	protein	147	33% helix, 32% strand	Q5SHE1
F	Molybdenum cofactor biosynthesis protein C	protein	146	32% helix, 36% strand	Q5SHE1
I	Molybdenum cofactor biosynthesis protein C	protein	147	33% helix, 32% strand	Q5SHE1

Ligands and binding sites

PO4 · Phosphate ion · ion · 12 copies · chains A, F, C, D, B, E, G, L, H, K, I, J

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

Pockets

19 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	909	0.89	0.92	99	empty
2	590	0.88	0.93	77	empty
3	269	0.81	0.93	54	empty
4	110	0.73	0.94	28	empty
5	480	0.67	0.79	52	PO4

Interfaces

36 interfaces between chains.

G–L · 1874 Å² buried · 15 hydrogen bonds · protein-protein
B–E · 1871 Å² buried · 19 hydrogen bonds · protein-protein
C–D · 1855 Å² buried · 16 hydrogen bonds · protein-protein
A–F · 1832 Å² buried · 14 hydrogen bonds · protein-protein
H–K · 1831 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

2IDE · Crystal Structure of the molybdenum cofactor biosynthesis protein C (TTHA1789) from… · 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 Q5SHE1
Elsewhere: RCSB PDB 2IDE · PDBe 2IDE · UniProt Q5SHE1

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