MolNFT v1 · #66664 · protein

Crystal structure of putative ketosteroid isomerase (NP_103587.1) from mesorhizobium loti at 1.45 a resolution

3HX8: “Crystal structure of putative ketosteroid isomerase (NP_103587.1) from mesorhizobium loti at 1.45 a resolution”. X-ray diffraction, 1 ligand (UNL), 5 pockets (best druggability 0.76). MolNFT v1 #66664 on GenesisL1: 3D structure…

PDB: 3HX8
Type: protein
Length: 509 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Putative ketosteroid isomerase
UniProt: Q98IZ3
Ligands: UNL
Pockets: 5 · best druggability 0.76

Structure

x-ray diffraction · 3 distinct chains · 27% helix, 48% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, D	Putative ketosteroid isomerase	protein	128	27% helix, 47% strand	Q98IZ3
B	Putative ketosteroid isomerase	protein	127	28% helix, 48% strand	Q98IZ3
C	Putative ketosteroid isomerase	protein	126	27% helix, 48% strand	Q98IZ3

Ligands and binding sites

UNL · Unknown ligand · ligand · 4 copies · chains A, B, C, D
IMD · Imidazole · additive · 3 copies · chains A, D
PG4 · Tetraethylene glycol · additive · 3 copies · chains A, C, B, D

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

Pockets

5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	886	0.76	0.80	77	PG4
2	303	0.68	0.82	38	UNL, IMD
3	307	0.68	0.82	40	UNL, IMD
4	218	0.66	0.83	28	UNL
5	192	0.65	0.83	26	UNL

Interfaces

4 interfaces between chains.

C–D · 1154 Å² buried · 21 hydrogen bonds · protein-protein
A–B · 1124 Å² buried · 24 hydrogen bonds · protein-protein
B–D · 331 Å² buried · 4 hydrogen bonds · protein-protein
A–C · 269 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 modified (engineered).

Compared structures

3HX8 · Crystal structure of putative ketosteroid isomerase (NP_103587.1) from Mesorhizobium loti… · 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
Every structure of UniProt Q98IZ3
Elsewhere: RCSB PDB 3HX8 · PDBe 3HX8 · UniProt Q98IZ3

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.