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MolNFT v1 · #99689 · protein

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

4MAX · Cyanoglobin: “Crystal structure of synechococcus sp. pcc 7002 globin at cryogenic temperature with heme modification”. X-ray diffraction, 2 ligands (HEB, SO4), 2 pockets (best druggability 0.87). MolNFT v1 #99689 on GenesisL1: 3D…

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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