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Crystal structure of guac-gmp complex from bacillus anthracis at 2.26 a resolution.

Analyse Crystal structure of guac-gmp complex from bacillus anthracis at 2.26 a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2A1Y
Type: protein
Length: 301 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Gmp reductase
EC: 1.7.1.7
UniProt: Q81JJ9
Ligands: 5GP
Pockets: 2 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Gmp reductase (EC 1.7.1.7)	protein	301	35% helix, 17% strand	Q81JJ9

Ligands and binding sites

5GP · Guanosine-5'-monophosphate · ligand · chains A

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

Pockets

2 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	362	0.67	0.81	38	5GP
2	107	0.42	0.77	19	empty

Compared structures

2A1Y · Crystal Structure of GuaC-GMP complex from Bacillus anthracis at 2.26 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 A 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 Q81JJ9
Elsewhere: RCSB PDB 2A1Y · PDBe 2A1Y · UniProt Q81JJ9

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