MolNFT v1 · #167788 · protein

N-acetylmannosamine-6-phosphate 2-epimerase from staphylococcus aureus (strain mrsa USA300)

6VVA: “N-acetylmannosamine-6-phosphate 2-epimerase from staphylococcus aureus (strain mrsa USA300)”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.60). MolNFT v1 #167788 on GenesisL1: 3D structure, binding sites and…

PDB: 6VVA
Type: protein
Length: 444 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: N-acetylmannosamine-6-phosphate 2-epimerase
EC: 5.1.3.9
UniProt: X5EM89
Ligands: CL
Pockets: 3 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	N-acetylmannosamine-6-phosphate 2-epimerase (EC 5.1.3.9)	protein	222	41% helix, 17% strand	X5EM89

Ligands and binding sites

CL · Chloride ion · ion · 2 copies · chains A, B
CIT · Citric acid · additive · 2 copies · chains A, B

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	322	0.60	0.78	47	empty
2	224	0.60	0.80	23	CIT
3	230	0.59	0.80	24	CIT

Interfaces

1 interface between chains.

A–B · 485 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

6VVA · N-Acetylmannosamine-6-phosphate 2-epimerase from Staphylococcus aureus (strain MRSA… · 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 X5EM89
Elsewhere: RCSB PDB 6VVA · PDBe 6VVA · UniProt X5EM89

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