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MolNFT v1 · #183723 · protein

ABC transporter nosdfy, nucleotide-free in lipid nanodisc, R-domain 1

7O14 · Probable ABC transporter ATP-binding protein nosf: “ABC transporter nosdfy, nucleotide-free in lipid nanodisc, R-domain 1”. Electron microscopy, 1 ligand (MG), 15 pockets (best druggability 0.79). MolNFT v1 #183723 on GenesisL1: 3D…

PDB
7O14
Type
protein
Length
1,531 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Probable ABC transporter ATP-binding protein nosf; Probable ABC transporter permease…
UniProt
P19844, P19845, P19843
Ligands
MG
Pockets
15 · best druggability 0.79

Structure

electron microscopy · 4 distinct chains · 42% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B, CProbable ABC transporter ATP-binding protein nosfprotein30731% helix, 19% strandP19844
DProbable ABC transporter permease protein nosyprotein26778% helix, 0% strandP19845
EProbable ABC transporter permease protein nosyprotein24877% helix, 0% strandP19845
AProbable ABC transporter binding protein nosdprotein4027% helix, 36% strandP19843

Ligands and binding sites

  • MG · Magnesium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18890.790.8173empty
28830.790.8298empty
36830.720.7959empty
42540.670.8430empty
51110.630.8719empty

Interfaces

7 interfaces between chains.

  • B–C · 2814 Ų buried · 35 hydrogen bonds · protein-protein
  • C–D · 1154 Ų buried · 14 hydrogen bonds · protein-protein
  • B–E · 1136 Ų buried · 6 hydrogen bonds · protein-protein
  • D–A · 912 Ų buried · 8 hydrogen bonds · protein-protein
  • E–A · 850 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 7O14 · ABC transporter NosDFY, nucleotide-free in lipid nanodisc, R-domain 1 · the same entry in another collection · chain A against A, TM-score 1.00
  • P19843 · AlphaFold monomer V2.0 prediction for probable ABC transporter binding protein nosd… · a predicted model of the same protein · chain A against A, TM-score 0.96
  • P19845 · AlphaFold monomer V2.0 prediction for probable ABC transporter permease protein nosy… · a predicted model of the same protein · chain E against A, TM-score 0.95
  • P19844 · AlphaFold monomer V2.0 prediction for probable ABC transporter ATP- binding protein nosf… · a predicted model of the same protein · chain B against A, TM-score 0.89

Analyse

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