MolNFT v1 · #63689 · protein

Crystal structure determination of indian flying fox (pteropus giganteus) at 1.62 a resolution

3FH9 · Hemoglobin alpha chain: “Crystal structure determination of indian flying fox (pteropus giganteus) at 1.62 a resolution”. X-ray diffraction, 2 ligands (HEM, OXY), 4 pockets (best druggability 0.73). MolNFT v1 #63689 on GenesisL1: 3D…

PDB: 3FH9
Type: protein
Length: 287 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hemoglobin alpha chain; Hemoglobin beta chain
Ligands: HEM, OXY
Pockets: 4 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 75% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hemoglobin alpha chain	protein	141	74% helix, 0% strand	—
B	Hemoglobin beta chain	protein	146	77% helix, 0% strand	—

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
OXY · Oxygen molecule · ion · 2 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	280	0.73	0.85	27	HEM, OXY
2	208	0.67	0.84	24	HEM, OXY
3	246	0.59	0.79	36	empty
4	73	0.35	0.76	17	empty

Interfaces

1 interface between chains.

A–B · 901 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

3FH9 · Crystal structure determination of indian flying fox (Pteropus giganteus) at 1.62 A… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 3FH9 · PDBe 3FH9

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