MolNFT v1 · #93536 · protein

Crystal structure of DR_1245 from deinococcus radiodurans

4H5B · DR_1245 protein: “Crystal structure of DR_1245 from deinococcus radiodurans”. X-ray diffraction, 3 ligands (K, SO4, BR), 3 pockets (best druggability 0.51). MolNFT v1 #93536 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4H5B
Type: protein
Length: 301 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: DR_1245 protein
UniProt: Q9RUY5
Ligands: K, SO4, BR
Pockets: 3 · best druggability 0.51

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 37% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	DR_1245 protein	protein	152	33% helix, 37% strand	Q9RUY5
B	DR_1245 protein	protein	149	34% helix, 38% strand	Q9RUY5

Ligands and binding sites

K · Potassium ion · metal · chains A, B
SO4 · Sulfate ion · ion · 2 copies · chains B, A
BR · Bromide ion · ion · chains A, B
GOL · Glycerol · additive · 5 copies · chains A, B

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

Pockets

3 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	136	0.51	0.80	29	BR
2	108	0.40	0.75	16	empty
3	77	0.33	0.75	21	empty

Interfaces

1 interface between chains.

A–B · 1521 Å² buried · 24 hydrogen bonds · protein-protein

Compared structures

4H5B · Crystal Structure of DR_1245 from Deinococcus radiodurans · 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 Q9RUY5
Elsewhere: RCSB PDB 4H5B · PDBe 4H5B · UniProt Q9RUY5

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