MolNFT v1 · #64289 · protein

Inosine-guanosine nucleoside hydrolase (ig-nh)

3FZ0 · Nucleoside hydrolase, putative: “Inosine-guanosine nucleoside hydrolase (ig-nh)”. X-ray diffraction, 1 ligand (CA), 11 pockets (best druggability 0.74). MolNFT v1 #64289 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3FZ0
Type: protein
Length: 1,319 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Nucleoside hydrolase, putative
EC: 3.2.2.1
UniProt: Q57X73
Ligands: CA
Pockets: 11 · best druggability 0.74

Structure

x-ray diffraction · 4 distinct chains · 39% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Nucleoside hydrolase, putative (EC 3.2.2.1)	protein	327	40% helix, 18% strand	Q57X73
B	Nucleoside hydrolase, putative (EC 3.2.2.1)	protein	338	38% helix, 18% strand	Q57X73
C	Nucleoside hydrolase, putative (EC 3.2.2.1)	protein	328	39% helix, 18% strand	Q57X73
D	Nucleoside hydrolase, putative (EC 3.2.2.1)	protein	326	40% helix, 17% strand	Q57X73

Ligands and binding sites

CA · Calcium ion · metal · 4 copies · chains A, B, C, D
BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · 4 copies · chains A, B, C, D

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	783	0.74	0.79	89	CA, BTB
2	335	0.67	0.81	47	CA, BTB
3	275	0.67	0.83	37	CA, BTB
4	371	0.67	0.80	51	BTB
5	387	0.62	0.77	40	empty

Interfaces

6 interfaces between chains.

C–D · 1085 Å² buried · 19 hydrogen bonds · protein-protein
A–B · 1082 Å² buried · 18 hydrogen bonds · protein-protein
A–C · 841 Å² buried · 11 hydrogen bonds · protein-protein
B–D · 804 Å² buried · 11 hydrogen bonds · protein-protein
A–D · 143 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

3FZ0 · Inosine-Guanosine Nucleoside Hydrolase (IG-NH) · 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 Q57X73
Elsewhere: RCSB PDB 3FZ0 · PDBe 3FZ0 · UniProt Q57X73

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