MolNFT v1 · #73975 · protein

Helicase domain of reverse gyrase from thermotoga maritima

3OIY · Reverse gyrase helicase domain: “Helicase domain of reverse gyrase from thermotoga maritima”. X-ray diffraction, 2 ligands (POP, CL), 8 pockets (best druggability 0.83). MolNFT v1 #73975 on GenesisL1: 3D structure, binding sites and…

PDB: 3OIY
Type: protein
Length: 807 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Reverse gyrase helicase domain
Ligands: POP, CL
Pockets: 8 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Reverse gyrase helicase domain	protein	407	48% helix, 15% strand	—
B	Reverse gyrase helicase domain	protein	400	46% helix, 16% strand	—

Ligands and binding sites

POP · Pyrophosphate 2- · ligand · chains A
CL · Chloride ion · ion · chains A

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

Pockets

8 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	1116	0.83	0.84	112	empty
2	237	0.70	0.86	39	empty
3	172	0.50	0.77	28	empty
4	108	0.40	0.77	21	empty
5	68	0.38	0.78	20	empty

Interfaces

1 interface between chains.

A–B · 1662 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

3OIY · Helicase domain of reverse gyrase from Thermotoga maritima · 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
Elsewhere: RCSB PDB 3OIY · PDBe 3OIY

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