MolNFT v1 · #119725 · protein

S. enterica hisa mutant D7N, D10G, DUP13-15 (vvr) with substrate profar

5G4W: “S. enterica hisa mutant D7N, D10G, DUP13-15 (vvr) with substrate profar”. X-ray diffraction, 1 ligand (GUO), 1 pocket (best druggability 0.66). MolNFT v1 #119725 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5G4W
Type: protein
Length: 232 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hisa
EC: 5.3.1.16
UniProt: V7IJE3
Ligands: GUO
Pockets: 1 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hisa (EC 5.3.1.16)	protein	232	41% helix, 23% strand	V7IJE3

Ligands and binding sites

GUO · [(2R,3S,4R,5R)-5-[4-aminocarbonyl-5-[(E)-[[(2R,3R,4S, 5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]amino]methylideneamino]imidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate · ligand · chains A
GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	443	0.66	0.79	46	GUO

Compared structures

5G4W · S. enterica HisA mutant D7N, D10G, Dup13-15 (VVR) with substrate ProFAR · 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 V7IJE3
Elsewhere: RCSB PDB 5G4W · PDBe 5G4W · UniProt V7IJE3

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