MolNFT v1 · #101784 · protein

Crystal structure of npudnab intein

4O1R · Replicative DNA helicase: “Crystal structure of npudnab intein”. X-ray diffraction, 2 ligands (NA, CL), 1 pocket (best druggability 0.29). MolNFT v1 #101784 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4O1R
Type: protein
Length: 142 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Replicative DNA helicase
UniProt: B2IVH9
Ligands: NA, CL
Pockets: 1 · best druggability 0.29

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 58% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Replicative DNA helicase	protein	142	5% helix, 58% strand	B2IVH9

Ligands and binding sites

NA · Sodium ion · metal · 3 copies · chains A
CL · Chloride ion · ion · 4 copies · chains A
GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	56	0.29	0.75	17	empty

Compared structures

4O1R · Crystal structure of NpuDnaB intein · 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 B2IVH9
Elsewhere: RCSB PDB 4O1R · PDBe 4O1R · UniProt B2IVH9

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