MolNFT v1 · #113329 · protein

S. enterica hisa with mutations D7N, D10G, DUP13-15

5AC7: “S. enterica hisa with mutations D7N, D10G, DUP13-15”. X-ray diffraction, 2 ligands (NA, SO4), 3 pockets (best druggability 0.86). MolNFT v1 #113329 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5AC7
Type: protein
Length: 493 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
EC: 5.3.1.16
UniProt: V7IJE3
Ligands: NA, SO4
Pockets: 3 · best druggability 0.86

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	(EC 5.3.1.16)	protein	246	37% helix, 26% strand	V7IJE3
B	(EC 5.3.1.16)	protein	247	38% helix, 26% strand	V7IJE3

Ligands and binding sites

NA · Sodium ion · metal · chains A
SO4 · Sulfate ion · ion · 3 copies · chains A, B
GOL · Glycerol · additive · 2 copies · chains A, B

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	1075	0.86	0.87	120	SO4
2	86	0.32	0.74	16	SO4
3	68	0.31	0.75	17	empty

Interfaces

1 interface between chains.

A–B · 801 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

5AC7 · S. enterica HisA with mutations D7N, D10G, dup13-15 · 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 5AC7 · PDBe 5AC7 · UniProt V7IJE3

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