MolNFT v1 · #92465 · protein

Crystal structure of ribonuclease a in complex with 5A

4G8V · Ribonuclease pancreatic: “Crystal structure of ribonuclease a in complex with 5A”. X-ray diffraction, 1 ligand (0EY), 3 pockets (best druggability 0.36). MolNFT v1 #92465 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4G8V
Type: protein
Length: 248 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ribonuclease pancreatic
EC: 3.1.27.5
UniProt: P61823
Ligands: 0EY
Pockets: 3 · best druggability 0.36

Structure

x-ray diffraction · 1 distinct chain · 21% helix, 35% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Ribonuclease pancreatic (EC 3.1.27.5)	protein	124	21% helix, 35% strand	P61823

Ligands and binding sites

0EY · 1-{[1-(alpha-L-arabinofuranosyl)-1H-1,2,3-triazol-4-yl]methyl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine · ligand · chains A

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

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	79	0.36	0.77	17	empty
2	65	0.35	0.77	14	empty
3	55	0.34	0.78	12	empty

Interfaces

1 interface between chains.

A–B · 354 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

4G8V · Crystal structure of Ribonuclease A in complex with 5a · 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 P61823
Elsewhere: RCSB PDB 4G8V · PDBe 4G8V · UniProt P61823

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