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Pentameric formate channel with formate bound

Analyse Pentameric formate channel with formate bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3KLZ
Type
protein
Length
1,281 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative formate transporter 1
UniProt
Q9KRE7
Pockets
20 · best druggability 0.79

Structure

x-ray diffraction · 4 distinct chains · 79% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative formate transporter 1protein25879% helix, 0% strandQ9KRE7
BPutative formate transporter 1protein25680% helix, 0% strandQ9KRE7
C, DPutative formate transporter 1protein25578% helix, 0% strandQ9KRE7
EPutative formate transporter 1protein25781% helix, 0% strandQ9KRE7

Ligands and binding sites

  • FMT · Formic acid · additive · 39 copies · chains A, E, B, D, C
  • BOG · octyl beta-D-glucopyranoside · additive · 14 copies · chains A, B, E, C, D

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

Pockets

20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110120.790.7978BOG, FMT
23980.700.8135BOG, FMT
31760.660.8526FMT
42760.650.8240FMT
52270.640.8226FMT

Interfaces

5 interfaces between chains.

  • A–E · 1767 Ų buried · 12 hydrogen bonds · protein-protein
  • C–D · 1700 Ų buried · 9 hydrogen bonds · protein-protein
  • D–E · 1699 Ų buried · 13 hydrogen bonds · protein-protein
  • B–C · 1653 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 1621 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 3KLZ · Pentameric formate channel with formate bound · the same entry in another collection · chain A against A, TM-score 1.00

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