MolNFT v1 · #90046 · protein

E. cloacae C115D/R120A mura in the unliganded state

4E7G · Udp-N-acetylglucosamine 1-carboxyvinyltransferase: “E. cloacae C115D/R120A mura in the unliganded state”. X-ray diffraction, 3 pockets (best druggability 0.71). MolNFT v1 #90046 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 4E7G
Type: protein
Length: 419 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Udp-N-acetylglucosamine 1-carboxyvinyltransferase
EC: 2.5.1.7
UniProt: P33038
Pockets: 3 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 27% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Udp-N-acetylglucosamine 1-carboxyvinyltransferase (EC 2.5.1.7)	protein	419	35% helix, 27% strand	P33038

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 12 copies · chains A
PEG · Di(hydroxyethyl)ether · additive · chains A
ACT · Acetate ion · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	709	0.71	0.78	77	EDO, ACT
2	99	0.45	0.79	18	empty
3	60	0.26	0.73	24	PEG

Modifications

Observed in the structure: 1 modified (nonstandard).

Compared structures

4E7G · E. cloacae C115D/R120A MurA in the unliganded state · the same entry in another collection · chain A against A, TM-score 1.00
P33038 · AlphaFold monomer V2.0 prediction for udp-N-acetylglucosamine 1-carboxyvinyltransferase… · a predicted model of the same protein · chain A against A, TM-score 0.95

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 P33038
Elsewhere: RCSB PDB 4E7G · PDBe 4E7G · UniProt P33038

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