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A ferredoxin-like metallo-beta-lactamase superfamily protein from thermoanaerobacter tengcongensis

Analyse A ferredoxin-like metallo-beta-lactamase superfamily protein from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2P4Z
Type
protein
Length
551 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Metal-dependent hydrolases of the beta-lactamase superfamily II
UniProt
Q8R8V2
Ligands
FE
Pockets
9 · best druggability 0.59

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMetal-dependent hydrolases of the beta-lactamase superfamily IIprotein27530% helix, 30% strandQ8R8V2
BMetal-dependent hydrolases of the beta-lactamase superfamily IIprotein27630% helix, 30% strandQ8R8V2

Ligands and binding sites

  • FE · Fe (III) ion · metal · 4 copies · chains A, B

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
12590.590.7925FE
22180.590.8025FE
31060.470.8017empty
41030.450.7817empty
5590.430.8220empty

Interfaces

1 interface between chains.

  • A–B · 1189 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 2P4Z · A Ferredoxin-like Metallo-beta-lactamase Superfamily Protein from Thermoanaerobacter… · the same entry in another collection · chain A against A, TM-score 1.00

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