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Crystal structure of PH0822

Analyse Crystal structure of PH0822 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2YX6
Type: protein
Length: 444 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hypothetical protein PH0822
UniProt: O58552
Ligands: ADP
Pockets: 7 · best druggability 0.65

Structure

x-ray diffraction · 4 distinct chains · 25% helix, 32% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hypothetical protein PH0822	protein	110	26% helix, 33% strand	O58552
B	Hypothetical protein PH0822	protein	111	26% helix, 30% strand	O58552
C	Hypothetical protein PH0822	protein	112	23% helix, 32% strand	O58552
D	Hypothetical protein PH0822	protein	111	25% helix, 32% strand	O58552

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · chains B, C

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

Pockets

7 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	297	0.65	0.81	27	ADP
2	252	0.54	0.77	38	empty
3	151	0.44	0.75	34	empty
4	82	0.42	0.79	17	empty
5	86	0.38	0.77	17	empty

Interfaces

4 interfaces between chains.

B–C · 821 Å² buried · 8 hydrogen bonds · protein-protein
A–B · 486 Å² buried · 10 hydrogen bonds · protein-protein
C–D · 276 Å² buried · 1 hydrogen bond · protein-protein
B–D · 148 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

2YX6 · Crystal structure of PH0822 · 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 O58552
Elsewhere: RCSB PDB 2YX6 · PDBe 2YX6 · UniProt O58552

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