MolNFT v1 · #46895 · protein

E. COLI glmu- complex with udp-glcnac, CoA and glcn-1-PO4

2OI6 · Bifunctional protein glmu: “E. COLI glmu- complex with udp-glcnac, CoA and glcn-1-PO4”. X-ray diffraction, 6 ligands (GP1, COA, UD1), 6 pockets (best druggability 0.75). MolNFT v1 #46895 on GenesisL1: 3D structure, binding sites and…

PDB: 2OI6
Type: protein
Length: 902 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Bifunctional protein glmu
EC: 2.7.7.23, 2.3.1.157
UniProt: P0ACC7
Ligands: GP1, COA, UD1, MG, CO, SO4
Pockets: 6 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 21% helix, 34% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Bifunctional protein glmu (EC 2.7.7.23, 2.3.1.157)	protein	450	21% helix, 34% strand	P0ACC7
B	Bifunctional protein glmu (EC 2.7.7.23, 2.3.1.157)	protein	452	20% helix, 34% strand	P0ACC7

Ligands and binding sites

GP1 · 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose · ligand · 2 copies · chains A, B
COA · Coenzyme A · ligand · 2 copies · chains A, B
UD1 · Uridine-diphosphate-N-acetylglucosamine · ligand · 2 copies · chains A, B
MG · Magnesium ion · metal · 3 copies · chains A, B
CO · Cobalt (II) ion · metal · 2 copies · chains A, B
SO4 · Sulfate ion · ion · chains B

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

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	423	0.75	0.85	39	SO4, UD1
2	539	0.68	0.78	47	UD1
3	116	0.41	0.76	15	empty
4	150	0.40	0.73	23	empty
5	67	0.36	0.77	12	empty

Interfaces

1 interface between chains.

A–B · 153 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

2OI6 · E. coli GlmU- Complex with UDP-GlcNAc, CoA and GlcN-1-PO4 · the same entry in another collection · chain A against A, TM-score 1.00
P0ACC7 · AlphaFold monomer V2.0 prediction for bifunctional protein glmu (P0ACC7) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P0ACC7
Elsewhere: RCSB PDB 2OI6 · PDBe 2OI6 · UniProt P0ACC7

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