MolNFT v1 · #10491 · protein

Hagfish deoxy hemoglobin

1IT2: “Hagfish deoxy hemoglobin”. X-ray diffraction, 1 ligand (HEM), 3 pockets (best druggability 0.69). MolNFT v1 #10491 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1IT2
Type: protein
Length: 292 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hemoglobin
UniProt: Q7SID0
Ligands: HEM
Pockets: 3 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 70% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Hemoglobin	protein	146	70% helix, 0% strand	Q7SID0

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · 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, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	226	0.69	0.85	29	HEM
2	218	0.69	0.85	32	HEM
3	384	0.68	0.81	52	empty

Interfaces

1 interface between chains.

A–B · 360 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

1IT2 · Hagfish deoxy hemoglobin · the same entry in another collection · chain A against A, TM-score 1.00
Q7SID0 · AlphaFold monomer V2.0 prediction for globin-F1 (Q7SID0) · a predicted model of the same protein · chain B against A, TM-score 0.98

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q7SID0
Elsewhere: RCSB PDB 1IT2 · PDBe 1IT2 · UniProt Q7SID0

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