MolNFT v1 · #71859 · protein

Crystal structure of a mandelate RACEMASE/MUCONATE lactonizing enzyme from shewanella pealeana

3MQT · Mandelate RACEMASE/MUCONATE lactonizing protein: “Crystal structure of a mandelate RACEMASE/MUCONATE lactonizing enzyme from shewanella pealeana”. X-ray diffraction, 1 ligand (MG), 20 pockets (best druggability 0.90). MolNFT v1…

PDB: 3MQT
Type: protein
Length: 9,063 residues
Chains: 24
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mandelate RACEMASE/MUCONATE lactonizing protein
UniProt: A8H7M5
Ligands: MG
Pockets: 20 · best druggability 0.90

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, G, M, N, S, X	Mandelate RACEMASE/MUCONATE lactonizing protein	protein	377	41% helix, 16% strand	A8H7M5
E, F, H, I, J, K, L, O, P, Q, R, T, U, V, W	Mandelate RACEMASE/MUCONATE lactonizing protein	protein	378	41% helix, 17% strand	A8H7M5

Ligands and binding sites

MG · Magnesium ion · metal · 12 copies · chains A, D, E, F, G, H, K, L, U, V, W, X

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	913	0.90	0.93	165	empty
2	642	0.88	0.93	129	empty
3	198	0.83	0.97	26	empty
4	203	0.83	0.96	25	empty
5	181	0.83	0.97	25	empty

Interfaces

56 interfaces between chains.

Q–U · 1691 Å² buried · 17 hydrogen bonds · protein-protein
J–W · 1675 Å² buried · 17 hydrogen bonds · protein-protein
C–F · 1674 Å² buried · 21 hydrogen bonds · protein-protein
I–L · 1673 Å² buried · 19 hydrogen bonds · protein-protein
O–S · 1670 Å² buried · 18 hydrogen bonds · protein-protein

Compared structures

3MQT · Crystal structure of a mandelate racemase/muconate lactonizing enzyme from Shewanella… · 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 A8H7M5
Elsewhere: RCSB PDB 3MQT · PDBe 3MQT · UniProt A8H7M5

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.