MolNFT v1 · #62962 · protein

Crystal structure of ribonuclease a in 70% isopropanol

3EV2 · Ribonuclease pancreatic: “Crystal structure of ribonuclease a in 70% isopropanol”. X-ray diffraction, 2 pockets (best druggability 0.46). MolNFT v1 #62962 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3EV2
Type: protein
Length: 244 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
Pockets: 2 · best druggability 0.46

Structure

x-ray diffraction · 2 distinct chains · 21% helix, 36% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ribonuclease pancreatic (EC 3.1.27.5)	protein	120	22% helix, 37% strand	P61823
B	Ribonuclease pancreatic (EC 3.1.27.5)	protein	124	21% helix, 35% strand	P61823

Ligands and binding sites

IPA · Isopropyl alcohol · additive · 4 copies · chains A, B

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

Pockets

2 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	166	0.46	0.76	30	empty
2	59	0.39	0.80	14	empty

Interfaces

1 interface between chains.

A–B · 329 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

3EV2 · Crystal Structure of Ribonuclease A in 70% Isopropanol · 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 3EV2 · PDBe 3EV2 · UniProt P61823

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