MolNFT v1 · #28804 · protein

Crystal structure of guac (BA5705) from bacillus anthracis at 1.8 a resolution

1YPF · Gmp reductase: “Crystal structure of guac (BA5705) from bacillus anthracis at 1.8 a resolution”. X-ray diffraction, 5 pockets (best druggability 0.56). MolNFT v1 #28804 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1YPF
Type: protein
Length: 590 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Gmp reductase
EC: 1.7.1.7
UniProt: Q81JJ9
Pockets: 5 · best druggability 0.56

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Gmp reductase (EC 1.7.1.7)	protein	295	39% helix, 15% strand	Q81JJ9
B	Gmp reductase (EC 1.7.1.7)	protein	295	39% helix, 16% strand	Q81JJ9

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	358	0.56	0.75	34	empty
2	224	0.49	0.75	32	empty
3	172	0.44	0.75	24	empty
4	75	0.38	0.78	16	empty
5	63	0.36	0.78	14	empty

Interfaces

1 interface between chains.

A–B · 294 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

1YPF · Crystal Structure of GuaC (BA5705) from Bacillus anthracis at 1.8 A Resolution · the same entry in another collection · chain A against A, TM-score 1.00
Q81JJ9 · AlphaFold monomer V2.0 prediction for gmp reductase (Q81JJ9) · a predicted model of the same protein · chain B against A, TM-score 0.98

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 Q81JJ9
Elsewhere: RCSB PDB 1YPF · PDBe 1YPF · UniProt Q81JJ9

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