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Crystal structure of hemoglobin from turkey (meleagiris gallopova) crystallized in orthorhombic form at 1.4 ångström resolution

Analyse Crystal structure of hemoglobin from turkey (meleagiris gallopova) crystallized… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6ZMX
Type
protein
Length
568 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hemoglobin subunit alpha-a; Hemoglobin beta chain
UniProt
P81023, P84479
Ligands
HEM, NA
Pockets
5 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 78% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CHemoglobin subunit alpha-aprotein13875% helix, 0% strandP81023
B, DHemoglobin beta chainprotein14680% helix, 0% strandP84479

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D
  • NA · Sodium ion · metal · chains D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16390.840.8878HEM
27140.840.8770empty
32410.750.8831HEM
42010.730.8832HEM
52020.690.8624HEM

Interfaces

6 interfaces between chains.

  • A–B · 1019 Ų buried · 11 hydrogen bonds · protein-protein
  • C–D · 1011 Ų buried · 12 hydrogen bonds · protein-protein
  • B–C · 394 Ų buried · 4 hydrogen bonds · protein-protein
  • A–D · 392 Ų buried · 3 hydrogen bonds · protein-protein
  • B–D · 321 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 6ZMX · Crystal structure of hemoglobin from turkey (Meleagiris gallopova) crystallized in… · the same entry in another collection · chain A against A, TM-score 1.00
  • P81023 · AlphaFold monomer V2.0 prediction for hemoglobin subunit alpha-a (P81023) · a predicted model of the same protein · chain A against A, TM-score 0.99

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