MolNFT v1 · #57282 · protein

Crystal structure of outer membrane protein porb from neisseria meningitidis in complex with sucrose

3A2S · Outer membrane protein II: “Crystal structure of outer membrane protein porb from neisseria meningitidis in complex with sucrose”. X-ray diffraction, 2 ligands (GLC, FRU), 4 pockets (best druggability 0.69). MolNFT v1 #57282 on…

PDB: 3A2S
Type: protein
Length: 341 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Outer membrane protein II
Ligands: GLC, FRU
Pockets: 4 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 59% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
X	Outer membrane protein II	protein	341	6% helix, 59% strand	—

Ligands and binding sites

GLC · alpha-D-glucopyranose · sugar · chains X
FRU · beta-D-fructofuranose · sugar · chains X
LDA · Lauryl dimethylamine-N-oxide · additive · chains X

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

Pockets

4 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	815	0.69	0.76	81	GLC, FRU, LDA
2	125	0.66	0.88	23	empty
3	190	0.47	0.75	31	empty
4	99	0.37	0.75	18	empty

Compared structures

3A2S · Crystal Structure of outer membrane protein PorB from Neisseria meningitidis in complex… · the same entry in another collection · chain X against X, 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 3A2S · PDBe 3A2S

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