MolNFT v1 · #135881 · protein

Crystal structure of human heme oxygenase-2 in complex with laurate

5UCA · Heme oxygenase 2: “Crystal structure of human heme oxygenase-2 in complex with laurate”. X-ray diffraction, 1 ligand (DAO), 7 pockets (best druggability 0.77). MolNFT v1 #135881 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 5UCA
Type: protein
Length: 839 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Heme oxygenase 2
EC: 1.14.14.18
UniProt: P30519
Ligands: DAO
Pockets: 7 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 76% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Heme oxygenase 2 (EC 1.14.14.18)	protein	209	75% helix, 0% strand	P30519
B, C, D	Heme oxygenase 2 (EC 1.14.14.18)	protein	210	76% helix, 0% strand	P30519

Ligands and binding sites

DAO · Lauric acid · ligand · 3 copies · chains B, C, D

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

Pockets

7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	936	0.77	0.80	87	empty
2	367	0.76	0.86	40	empty
3	422	0.75	0.84	43	DAO
4	357	0.75	0.86	41	DAO
5	1015	0.75	0.78	83	empty

Interfaces

5 interfaces between chains.

A–D · 454 Å² buried · 4 hydrogen bonds · protein-protein
C–D · 251 Å² buried · 2 hydrogen bonds · protein-protein
B–C · 244 Å² buried · 1 hydrogen bond · protein-protein
A–C · 122 Å² buried · 1 hydrogen bond · protein-protein
A–B · 103 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

5UCA · Crystal structure of human Heme Oxygenase-2 in complex with Laurate · the same entry in another collection · chain A against A, TM-score 1.00
P30519 · AlphaFold monomer V2.0 prediction for heme oxygenase 2 (P30519) · 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 P30519
Elsewhere: RCSB PDB 5UCA · PDBe 5UCA · UniProt P30519

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