MolNFT v1 · #81132 · protein

Hbi (K96R) co bound

3UHI · Globin-1: “Hbi (K96R) co bound”. X-ray diffraction, 2 ligands (HEM, CMO), 2 pockets (best druggability 0.86). MolNFT v1 #81132 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3UHI
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, CMO
Pockets: 2 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 80% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Globin-1	protein	145	80% helix, 0% strand	P02213

Ligands and binding sites

HEM · Protoporphyrin IX containing Fe · ligand · 4 copies · chains A, B, C, D
CMO · Carbon monoxide · ion · 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	1075	0.86	0.87	70	HEM, CMO
2	1122	0.85	0.85	74	HEM, CMO

Interfaces

2 interfaces between chains.

A–B · 951 Å² buried · 9 hydrogen bonds · protein-protein
C–D · 949 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

3UHI · HBI (K96R) CO 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 D 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 3UHI · PDBe 3UHI · UniProt P02213

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