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MolNFT v1 · #153855 · protein

Crystal structure of the H434A variant of the C-terminal domain of htaa from corynebacterium glutamicum

6JSC · Hypothetical membrane protein: “Crystal structure of the H434A variant of the C-terminal domain of htaa from corynebacterium glutamicum”. X-ray diffraction, 2 ligands (HEM, NA), 3 pockets (best druggability 0.50). MolNFT v1 #153855…

PDB
6JSC
Type
protein
Length
335 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical membrane protein
UniProt
Q8NTB9
Ligands
HEM, NA
Pockets
3 · best druggability 0.50

Structure

x-ray diffraction · 2 distinct chains · 10% helix, 61% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHypothetical membrane proteinprotein16710% helix, 61% strandQ8NTB9
BHypothetical membrane proteinprotein16810% helix, 62% strandQ8NTB9

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
  • NA · Sodium ion · metal · 4 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1900.500.8216HEM
2840.500.8216HEM
31520.450.7627empty

Interfaces

1 interface between chains.

  • A–B · 559 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 6JSC · Crystal structure of the H434A variant of the C-terminal domain of HtaA from… · the same entry in another collection · chain A against A, TM-score 1.00

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