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Rhombohedral crystal form of the epob nrps cyclization-docking bidomain from sorangium cellulosum

Analyse Rhombohedral crystal form of the epob nrps cyclization-docking bidomain from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5T81
Type: protein
Length: 1,003 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Epob
UniProt: Q9KIZ9
Pockets: 17 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Epob	protein	503	39% helix, 20% strand	Q9KIZ9
B	Epob	protein	500	37% helix, 21% strand	Q9KIZ9

Ligands and binding sites

GOL · Glycerol · additive · chains A, B

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

Pockets

17 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	815	0.78	0.82	91	GOL
2	88	0.78	0.99	27	empty
3	834	0.77	0.81	63	empty
4	1116	0.77	0.79	97	empty
5	73	0.75	0.98	26	empty

Interfaces

1 interface between chains.

A–B · 1410 Å² buried · 16 hydrogen bonds · protein-protein

Compared structures

5T81 · Rhombohedral crystal form of the EpoB NRPS cyclization-docking bidomain from Sorangium… · 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 Q9KIZ9
Elsewhere: RCSB PDB 5T81 · PDBe 5T81 · UniProt Q9KIZ9

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