MolNFT v1 · #106486 · protein

The X-ray structure of the adduct formed in the reaction between bovine pancreatic ribonuclease and carboplatin

4S0Q · Ribonuclease pancreatic: “The X-ray structure of the adduct formed in the reaction between bovine pancreatic ribonuclease and…”. X-ray diffraction, 1 ligand (QPT), 2 pockets (best druggability 0.40). MolNFT v1 #106486 on GenesisL1…

PDB: 4S0Q
Type: protein
Length: 238 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: QPT
Pockets: 2 · best druggability 0.40

Structure

x-ray diffraction · 1 distinct chain · 22% helix, 37% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Ribonuclease pancreatic (EC 3.1.27.5)	protein	119	22% helix, 37% strand	P61823

Ligands and binding sites

QPT · carboplatin · metal · 2 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	96	0.40	0.77	21	QPT
2	58	0.34	0.78	15	empty

Interfaces

1 interface between chains.

A–B · 309 Å² buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

4S0Q · The X-ray structure of the adduct formed in the reaction between bovine pancreatic… · 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 4S0Q · PDBe 4S0Q · UniProt P61823

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