MolNFT v1 · #53625 · protein

Crystal structure of human angiotensinogen complexed with renin

2X0B: “Crystal structure of human angiotensinogen complexed with renin”. X-ray diffraction, 20 pockets (best druggability 0.82). MolNFT v1 #53625 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2X0B
Type: protein
Length: 3,008 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Renin; Angiotensinogen
EC: 3.4.23.15
UniProt: P00797, P01019
Pockets: 20 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 22% helix, 33% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, C, E, G	Renin (EC 3.4.23.15)	protein	329	15% helix, 44% strand	P00797
B, D, F, H	Angiotensinogen	protein	423	28% helix, 25% strand	P01019

Pockets

20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	907	0.82	0.84	100	empty
2	1173	0.81	0.82	111	empty
3	856	0.80	0.83	83	empty
4	1088	0.79	0.81	103	empty
5	363	0.75	0.85	60	empty

Interfaces

10 interfaces between chains.

C–D · 2252 Å² buried · 31 hydrogen bonds · protein-protein
E–F · 2241 Å² buried · 32 hydrogen bonds · protein-protein
A–B · 2238 Å² buried · 31 hydrogen bonds · protein-protein
G–H · 2235 Å² buried · 31 hydrogen bonds · protein-protein
E–H · 454 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 disulfide (disulfide).

Compared structures

2X0B · Crystal structure of human angiotensinogen complexed with renin · the same entry in another collection · chain H against H, TM-score 1.00
P01019 · AlphaFold monomer V2.0 prediction for angiotensinogen (P01019) · a predicted model of the same protein · chain H against A, TM-score 0.94

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 P00797
Every structure of UniProt P01019
Elsewhere: RCSB PDB 2X0B · PDBe 2X0B · UniProt P00797 · UniProt P01019

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