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MolNFT v1 · #148005 · protein

Structure of the arsenite-bound form of aiox from rhizobium sp. str. nt-26

6EU7 · Putative periplasmic phosphite-binding-like protein (pbl)…: “Structure of the arsenite-bound form of aiox from rhizobium sp. str. nt-26”. X-ray diffraction, 12 pockets (best druggability 0.71). MolNFT v1 #148005 on GenesisL1: 3D…

PDB
6EU7
Type
protein
Length
1,552 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative periplasmic phosphite-binding-like protein (pbl) ptxb-like protein designated…
UniProt
L0NML6
Pockets
12 · best druggability 0.71

Structure

x-ray diffraction · 3 distinct chains · 44% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CPutative periplasmic phosphite-binding-like protein (pbl) ptxb-like protein designated aioxprotein26046% helix, 23% strandL0NML6
BPutative periplasmic phosphite-binding-like protein (pbl) ptxb-like protein designated aioxprotein26144% helix, 22% strandL0NML6
D, E, FPutative periplasmic phosphite-binding-like protein (pbl) ptxb-like protein designated aioxprotein25744% helix, 22% strandL0NML6

Pockets

12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17510.710.7770empty
26490.700.7855empty
36580.690.7758empty
42390.560.7834empty
51500.480.7723empty

Interfaces

5 interfaces between chains.

  • B–E · 571 Ų buried · 1 hydrogen bond · protein-protein
  • E–F · 546 Ų buried · 5 hydrogen bonds · protein-protein
  • C–D · 546 Ų buried · 5 hydrogen bonds · protein-protein
  • A–B · 544 Ų buried · 5 hydrogen bonds · protein-protein
  • A–D · 421 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 modified (nonstandard).

Compared structures

  • 6EU7 · Structure of the arsenite-bound form of AioX from Rhizobium sp. str. NT-26 · the same entry in another collection · chain A against A, TM-score 1.00

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