MolNFT v1 · #4179 · protein

Ribonuclease inhibitor complexed with ribonuclease a

1DFJ: “Ribonuclease inhibitor complexed with ribonuclease a”. X-ray diffraction, 2 ligands (ACE, SO4), 3 pockets (best druggability 0.76). MolNFT v1 #4179 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1DFJ
Type: protein
Length: 580 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ribonuclease a; Ribonuclease inhibitor
EC: 3.1.27.5
UniProt: P61823, P10775
Ligands: ACE, SO4
Pockets: 3 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
E	Ribonuclease a (EC 3.1.27.5)	protein	124	18% helix, 34% strand	P61823
I	Ribonuclease inhibitor	protein	456	44% helix, 12% strand	P10775

Ligands and binding sites

ACE · Acetyl group · ligand · chains I
SO4 · Sulfate ion · ion · chains E, I

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1023	0.76	0.79	99	empty
2	55	0.73	0.98	16	empty
3	231	0.67	0.84	34	SO4

Interfaces

1 interface between chains.

E–I · 1441 Å² buried · 17 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide, 1 covalent (disulfide, covalent ligand).

Compared structures

1DFJ · Ribonuclease inhibitor complexed with ribonuclease a · the same entry in another collection · chain I against I, TM-score 1.00
P10775 · AlphaFold monomer V2.0 prediction for ribonuclease inhibitor (P10775) · a predicted model of the same protein · chain I 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 P61823
Every structure of UniProt P10775
Elsewhere: RCSB PDB 1DFJ · PDBe 1DFJ · UniProt P61823 · UniProt P10775

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