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Crystal structure of synechococcus sp. pcc 7002 globin at cryogenic temperature with heme modification

Analyse Crystal structure of synechococcus sp. pcc 7002 globin at cryogenic temperature… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4MAX
Type
protein
Length
369 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cyanoglobin
UniProt
Q8RT58
Ligands
HEB, SO4
Pockets
2 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 76% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CCyanoglobinprotein12376% helix, 0% strandQ8RT58

Ligands and binding sites

  • HEB · Heme B/C · ligand · 3 copies · chains A, B, C
  • SO4 · Sulfate ion · ion · 8 copies · chains A, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111840.870.87105HEB, SO4
22460.720.8631HEB

Interfaces

3 interfaces between chains.

  • B–C · 405 Ų buried · 2 hydrogen bonds · protein-protein
  • A–B · 404 Ų buried · 4 hydrogen bonds · protein-protein
  • A–C · 392 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 covalent (covalent ligand).

Compared structures

  • 4MAX · Crystal structure of Synechococcus sp. PCC 7002 globin at cryogenic temperature with heme… · the same entry in another collection · chain A against A, TM-score 1.00

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