MolNFT v1 · #72753 · protein

Crystal structure of BH2092 protein from bacillus halodurans, northeast structural genomics consortium target BHR228F

3NHV: “Crystal structure of BH2092 protein from bacillus halodurans, northeast structural genomics consortium target…”. X-ray diffraction, 1 ligand (CL), 9 pockets (best druggability 0.84). MolNFT v1 #72753 on GenesisL1: 3D structure…

PDB: 3NHV
Type: protein
Length: 673 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: BH2092 protein
UniProt: Q9KB42
Ligands: CL
Pockets: 9 · best druggability 0.84

Structure

x-ray diffraction · 5 distinct chains · 38% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	BH2092 protein	protein	134	39% helix, 17% strand	Q9KB42
B	BH2092 protein	protein	137	37% helix, 17% strand	Q9KB42
C	BH2092 protein	protein	135	39% helix, 16% strand	Q9KB42
D	BH2092 protein	protein	134	38% helix, 16% strand	Q9KB42
E	BH2092 protein	protein	133	40% helix, 16% strand	Q9KB42

Ligands and binding sites

CL · Chloride ion · ion · 4 copies · chains A, B, C, D, E

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

Pockets

9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	709	0.84	0.88	62	empty
2	831	0.77	0.80	88	empty
3	862	0.72	0.77	83	empty
4	294	0.64	0.81	43	empty
5	79	0.42	0.79	17	CL

Interfaces

6 interfaces between chains.

B–C · 1271 Å² buried · 15 hydrogen bonds · protein-protein
A–B · 1177 Å² buried · 10 hydrogen bonds · protein-protein
A–C · 1152 Å² buried · 15 hydrogen bonds · protein-protein
B–D · 585 Å² buried · 11 hydrogen bonds · protein-protein
A–E · 436 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 modified, 5 disulfide (engineered, disulfide).

Compared structures

3NHV · Crystal Structure of BH2092 protein from Bacillus halodurans, Northeast Structural… · 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 Q9KB42
Elsewhere: RCSB PDB 3NHV · PDBe 3NHV · UniProt Q9KB42

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