MolNFT v1 · #160629 · protein

Crystal structure of neub, an N-acetylneuraminate synthase from neisseria meningitidis, in complex with manganese, inorganic phosphate, and N-acetylmannosamine (NEUB.MN2+.PI.MANNAC)

6PPZ: “Crystal structure of neub, an N-acetylneuraminate synthase from neisseria meningitidis, in complex with…”. X-ray diffraction, 3 ligands (MN9, MN, PO4), 1 pocket (best druggability 0.66). MolNFT v1 #160629 on GenesisL1: 3D structure…

PDB: 6PPZ
Type: protein
Length: 348 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: N-acetylneuraminate synthase
EC: 2.5.1.56
UniProt: H2VFG5
Ligands: MN9, MN, PO4
Pockets: 1 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	N-acetylneuraminate synthase (EC 2.5.1.56)	protein	348	40% helix, 19% strand	H2VFG5

Ligands and binding sites

MN9 · 2-(acetylamino)-2-deoxy-D-mannose · ligand · chains A
MN · Manganese (II) ion · metal · chains A
PO4 · Phosphate ion · ion · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	322	0.66	0.81	35	MN9, MN, PO4

Compared structures

6PPZ · Crystal structure of NeuB, an N-acetylneuraminate synthase from Neisseria meningitidis… · 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 H2VFG5
Elsewhere: RCSB PDB 6PPZ · PDBe 6PPZ · UniProt H2VFG5

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