Research workbench

Unliganded E. cloacae mura

Analyse Unliganded E. cloacae mura in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3SPB
Type: protein
Length: 1,676 residues
Chains: 4
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: 14 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 28% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Udp-N-acetylglucosamine 1-carboxyvinyltransferase (EC 2.5.1.7)	protein	419	35% helix, 28% strand	P33038

Pockets

14 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1166	0.80	0.81	159	empty
2	396	0.71	0.82	72	empty
3	381	0.68	0.81	60	empty
4	324	0.68	0.82	46	empty
5	464	0.67	0.79	54	empty

Interfaces

6 interfaces between chains.

B–D · 1229 Å² buried · 16 hydrogen bonds · protein-protein
A–C · 1207 Å² buried · 17 hydrogen bonds · protein-protein
C–D · 782 Å² buried · 14 hydrogen bonds · protein-protein
A–D · 563 Å² buried · 3 hydrogen bonds · protein-protein
B–C · 549 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified (nonstandard).

Compared structures

3SPB · Unliganded E. Cloacae MurA · 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 3SPB · PDBe 3SPB · UniProt P33038

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