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Streptavidin iron-porphyrin

Analyse Streptavidin iron-porphyrin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7ZOF
Type
protein
Length
490 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Streptavidin
UniProt
P22629
Ligands
JLL, FE
Pockets
7 · best druggability 0.62

Structure

x-ray diffraction · 2 distinct chains · 8% helix, 54% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, DStreptavidinprotein1228% helix, 54% strandP22629
B, CStreptavidinprotein1238% helix, 54% strandP22629

Ligands and binding sites

  • JLL · (2R)-2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-[[(5Z,10Z,14Z,19Z)-15-[[[(2R)-2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3-sulfo-propanoyl]amino]methyl]-1,4,21,23-tetrahydroporphyrin-5-yl]methylamino]-3-oxidanylidene-propane-1-sulfonic acid · ligand · 2 copies · chains A, C, B, D
  • FE · Fe (III) ion · metal · 2 copies
  • IMD · Imidazole · additive · 4 copies · chains A, C, B, D

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

Pockets

7 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13070.620.8053empty
21050.610.8725IMD
3940.610.8720empty
41160.580.8425empty
51070.570.8429IMD

Interfaces

6 interfaces between chains.

  • A–B · 1665 Ų buried · 32 hydrogen bonds · protein-protein
  • C–D · 1652 Ų buried · 28 hydrogen bonds · protein-protein
  • A–C · 542 Ų buried · 4 hydrogen bonds · protein-protein
  • B–D · 541 Ų buried · 4 hydrogen bonds · protein-protein
  • B–C · 211 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 7ZOF · Streptavidin Iron-Porphyrin · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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