MolNFT v1 · #171143 · protein

Capsule O-acetyltransferase of neisseria meningitidis serogroup a

6YUV · Sacc: “Capsule O-acetyltransferase of neisseria meningitidis serogroup a”. X-ray diffraction, 1 ligand (CL), 5 pockets (best druggability 0.42). MolNFT v1 #171143 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6YUV
Type: protein
Length: 492 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Sacc
UniProt: O68216
Ligands: CL
Pockets: 5 · best druggability 0.42

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Sacc	protein	246	43% helix, 21% strand	O68216

Ligands and binding sites

CL · Chloride ion · ion · 2 copies · chains A, B
PGE · Triethylene glycol · additive · chains B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	129	0.42	0.76	27	CL
2	143	0.41	0.75	22	empty
3	118	0.38	0.74	19	empty
4	63	0.31	0.75	18	empty
5	70	0.28	0.72	17	empty

Interfaces

1 interface between chains.

A–B · 900 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

6YUV · Capsule O-acetyltransferase of Neisseria meningitidis serogroup A · 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 O68216
Elsewhere: RCSB PDB 6YUV · PDBe 6YUV · UniProt O68216

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