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MolNFT v1 · #184159 · protein + RNA

Nontypeable haemophillus influenzae sapa in complex with heme

7OFW · ABC-type transport system, periplasmic component, involved…: “Nontypeable haemophillus influenzae sapa in complex with heme”. X-ray diffraction, 1 ligand (HEM), 8 pockets (best druggability 0.74). MolNFT v1 #184159 on GenesisL1: 3D…

PDB
7OFW
Type
protein + RNA
Length
511 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ABC-type transport system, periplasmic component, involved in antimicrobial peptide…
UniProt
Q4QL73
Ligands
HEM
Pockets
8 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 27% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AABC-type transport system, periplasmic component, involved in antimicrobial peptide resistanceprotein49327% helix, 23% strandQ4QL73
CRNA (5'- R(P*CP*CP*CP*CP*CP*CP*CP*CP*CP*GP*GP*GP*GP*GP*GP*GP*GP*G)-3')rna18——

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · chains A

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

Pockets

8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1750.740.9725empty
2850.710.9520empty
32510.710.8651empty
4710.580.8823empty
51610.520.7925empty

Interfaces

1 interface between chains.

  • A–C · 233 Ų buried · 8 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 7OFW · Nontypeable Haemophillus influenzae SapA in complex with heme · the same entry in another collection · chain A against A, TM-score 1.00

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