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Crystal structure of substrate binding domain 1 (SBD1) of ABC transporter glnpq in complex with asparagine

Analyse Crystal structure of substrate binding domain 1 (SBD1) of ABC transporter glnpq… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6FXG
Type
protein
Length
675 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Amino acid ABC transporter membrane protein paat family
UniProt
A0A1V0NHP2
Ligands
ASN
Pockets
9 · best druggability 0.74

Structure

x-ray diffraction · 3 distinct chains · 38% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAmino acid ABC transporter membrane protein paat familyprotein22538% helix, 26% strandA0A1V0NHP2
BAmino acid ABC transporter membrane protein paat familyprotein22638% helix, 26% strandA0A1V0NHP2
CAmino acid ABC transporter membrane protein paat familyprotein22438% helix, 26% strandA0A1V0NHP2

Ligands and binding sites

  • ASN · Asparagine · ligand · 3 copies · chains A, B, C

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

Pockets

9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19770.740.7781empty
22370.530.7626empty
3790.450.8117empty
4620.440.8216empty
51070.390.7625empty

Interfaces

2 interfaces between chains.

  • A–B · 539 Ų buried · 7 hydrogen bonds · protein-protein
  • B–C · 382 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 6FXG · Crystal structure of substrate binding domain 1 (SBD1) OF ABC transporter GLNPQ in… · the same entry in another collection · chain C against C, TM-score 1.00

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