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Cryogenic crystal structure of barnase A43C/S80C bound to barstar C40A/C82A

Analyse Cryogenic crystal structure of barnase A43C/S80C bound to barstar C40A/C82A in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7MRX
Type: protein
Length: 591 residues
Chains: 6
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ribonuclease; Barstar
EC: 3.1.27.-
UniProt: P00648, P11540
Pockets: 7 · best druggability 0.56

Structure

x-ray diffraction · 3 distinct chains · 40% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, E	Ribonuclease (EC 3.1.27.-)	protein	108	22% helix, 23% strand	P00648
B, D	Barstar	protein	90	50% helix, 19% strand	P11540
F	Barstar	protein	87	52% helix, 16% strand	P11540

Pockets

7 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	276	0.56	0.77	28	empty
2	141	0.47	0.77	26	empty
3	157	0.46	0.76	27	empty
4	134	0.44	0.76	25	empty
5	63	0.33	0.76	11	empty

Interfaces

7 interfaces between chains.

E–F · 849 Å² buried · 22 hydrogen bonds · protein-protein
A–B · 826 Å² buried · 20 hydrogen bonds · protein-protein
C–D · 818 Å² buried · 20 hydrogen bonds · protein-protein
B–D · 298 Å² buried · 2 hydrogen bonds · protein-protein
C–E · 194 Å² buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

7MRX · Cryogenic crystal structure of barnase A43C/S80C bound to barstar C40A/C82A · the same entry in another collection · chain F against F, TM-score 1.00
P11540 · AlphaFold monomer V2.0 prediction for barstar (P11540) · a predicted model of the same protein · chain B 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 P00648
Every structure of UniProt P11540
Elsewhere: RCSB PDB 7MRX · PDBe 7MRX · UniProt P00648 · UniProt P11540

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