MolNFT v1 · #67718 · protein

Crystal structure of enolpyruvyl-udp-glcnac synthase (MURA):UDP-N- acetylmuramic ACID:PHOSPHITE from escherichia COLI

3ISS · Udp-N-acetylglucosamine 1-carboxyvinyltransferase: “Crystal structure of enolpyruvyl-udp-glcnac synthase (MURA):UDP-N- acetylmuramic ACID:PHOSPHITE from…”. X-ray diffraction, 2 ligands (EPU, PO3), 20 pockets (best druggability…

PDB: 3ISS
Type: protein
Length: 5,016 residues
Chains: 12
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Udp-N-acetylglucosamine 1-carboxyvinyltransferase
EC: 2.5.1.7
UniProt: P0A749
Ligands: EPU, PO3
Pockets: 20 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D, E, F, G, H, I, J, K, L	Udp-N-acetylglucosamine 1-carboxyvinyltransferase (EC 2.5.1.7)	protein	418	34% helix, 28% strand	P0A749

Ligands and binding sites

EPU · Uridine-diphosphate-2(N-acetylglucosaminyl) butyric acid · ligand · 12 copies · chains A, B, C, D, E, F, G, H, I, J, K, L
PO3 · Phosphite ion · ion · 12 copies · chains A, B, C, D, E, F, G, H, I, J, K, L

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	664	0.86	0.90	83	PO3, EPU
2	650	0.85	0.90	94	PO3, EPU
3	640	0.85	0.90	93	PO3, EPU
4	505	0.84	0.90	69	PO3, EPU
5	470	0.84	0.91	59	PO3, EPU

Interfaces

25 interfaces between chains.

K–L · 1264 Å² buried · 11 hydrogen bonds · protein-protein
E–H · 1249 Å² buried · 10 hydrogen bonds · protein-protein
F–G · 1225 Å² buried · 11 hydrogen bonds · protein-protein
I–J · 1223 Å² buried · 10 hydrogen bonds · protein-protein
C–D · 1215 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

3ISS · Crystal structure of enolpyruvyl-UDP-GlcNAc synthase (MurA):UDP-N-acetylmuramic… · the same entry in another collection · chain L against L, 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 P0A749
Elsewhere: RCSB PDB 3ISS · PDBe 3ISS · UniProt P0A749

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