MolNFT v1 · #121562 · protein

High-resolution crystal structure of the minor DNA-binding pilin comp from neisseria meningitidis in fusion with mbp

5HZ7: “High-resolution crystal structure of the minor DNA-binding pilin comp from neisseria meningitidis in fusion…”. X-ray diffraction, 3 ligands (GLC, BGC, NA), 6 pockets (best druggability 0.72). MolNFT v1 #121562 on GenesisL1: 3D…

PDB: 5HZ7
Type: protein
Length: 490 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Comp
Ligands: GLC, BGC, NA
Pockets: 6 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Comp	protein	490	40% helix, 22% strand	—

Ligands and binding sites

GLC · alpha-D-glucopyranose · sugar · 3 copies · chains A
BGC · beta-D-glucopyranose · sugar · chains A
NA · Sodium ion · metal · 5 copies · chains A
EDO · 1,2-ethanediol · additive · 2 copies · chains A

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

Pockets

6 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	390	0.72	0.83	31	GLC, BGC
2	260	0.54	0.76	34	NA
3	165	0.48	0.77	24	empty
4	65	0.33	0.76	15	empty
5	60	0.31	0.75	15	empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

5HZ7 · High-resolution crystal structure of the minor DNA-binding pilin ComP from Neisseria… · 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 5HZ7 · PDBe 5HZ7

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