MolNFT v1 · #81134 · protein

Hbi (K96R) without ligand bound

3UHK · Globin-1: “Hbi (K96R) without ligand bound”. X-ray diffraction, 1 ligand (HEM), 2 pockets (best druggability 0.87). MolNFT v1 #81134 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3UHK
Type: protein
Length: 580 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Globin-1
UniProt: P02213
Ligands: HEM
Pockets: 2 · best druggability 0.87

Structure

x-ray diffraction · 1 distinct chain · 85% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Globin-1	protein	145	85% helix, 0% strand	P02213

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D

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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1102	0.87	0.88	76	HEM
2	1168	0.86	0.87	78	HEM

Interfaces

2 interfaces between chains.

C–D · 983 Å² buried · 9 hydrogen bonds · protein-protein
A–B · 966 Å² buried · 9 hydrogen bonds · protein-protein

Compared structures

3UHK · HBI (K96R) without ligand bound · the same entry in another collection · chain D against D, TM-score 1.00
P02213 · AlphaFold monomer V2.0 prediction for globin-1 (P02213) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 P02213
Elsewhere: RCSB PDB 3UHK · PDBe 3UHK · UniProt P02213

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