MolNFT v1 · #63538 · protein

Crystal structure of muconate lactonizing enzyme from klebsiella pneumoniae

3FCP · L-ala-D/L-glu epimerase, a muconate lactonizing enzyme: “Crystal structure of muconate lactonizing enzyme from klebsiella pneumoniae”. X-ray diffraction, 1 ligand (MG), 20 pockets (best druggability 0.85). MolNFT v1 #63538 on…

PDB: 3FCP
Type: protein
Length: 2,837 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: L-ala-D/L-glu epimerase, a muconate lactonizing enzyme
UniProt: A6T9N5
Ligands: MG
Pockets: 20 · best druggability 0.85

Structure

x-ray diffraction · 3 distinct chains · 42% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, H	L-ala-D/L-glu epimerase, a muconate lactonizing enzyme	protein	356	41% helix, 22% strand	A6T9N5
B, C, D, F, G	L-ala-D/L-glu epimerase, a muconate lactonizing enzyme	protein	354	42% helix, 22% strand	A6T9N5
E	L-ala-D/L-glu epimerase, a muconate lactonizing enzyme	protein	355	42% helix, 21% strand	A6T9N5

Ligands and binding sites

MG · Magnesium ion · metal · 8 copies · chains A, B, C, D, E, F, G, H

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

Pockets

20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	933	0.85	0.87	120	empty
2	603	0.84	0.89	83	empty
3	804	0.84	0.87	104	empty
4	991	0.83	0.85	121	empty
5	556	0.83	0.89	73	empty

Interfaces

16 interfaces between chains.

F–H · 1039 Å² buried · 11 hydrogen bonds · protein-protein
A–E · 1036 Å² buried · 18 hydrogen bonds · protein-protein
A–B · 1029 Å² buried · 11 hydrogen bonds · protein-protein
G–H · 1013 Å² buried · 18 hydrogen bonds · protein-protein
D–G · 998 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

3FCP · Crystal structure of Muconate lactonizing enzyme from Klebsiella pneumoniae · 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 A6T9N5
Elsewhere: RCSB PDB 3FCP · PDBe 3FCP · UniProt A6T9N5

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