MolNFT v1 · #152944 · protein

X-ray sequence and high resolution crystal structure of starry sturgeon methemoglobin

6IYI · Alpha chain: “X-ray sequence and high resolution crystal structure of starry sturgeon methemoglobin”. X-ray diffraction, 1 ligand (HEM), 3 pockets (best druggability 0.72). MolNFT v1 #152944 on GenesisL1: 3D structure, binding sites…

PDB: 6IYI
Type: protein
Length: 288 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alpha chain; Beta chain
Ligands: HEM
Pockets: 3 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 80% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Alpha chain	protein	142	80% helix, 0% strand	—
B	Beta chain	protein	146	81% helix, 0% strand	—

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
GOL · Glycerol · additive · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	227	0.72	0.87	27	HEM
2	213	0.71	0.87	26	HEM
3	156	0.45	0.76	25	GOL

Interfaces

1 interface between chains.

A–B · 904 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

6IYI · X-ray sequence and high resolution crystal structure of Starry sturgeon methemoglobin · 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 6IYI · PDBe 6IYI

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