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Human renin in complex with COMPOUND1

Analyse Human renin in complex with COMPOUND1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7XGK
Type: protein
Length: 680 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Renin
EC: 3.4.23.15
UniProt: P00797
Ligands: UNL, NAG
Pockets: 6 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 15% helix, 46% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Renin (EC 3.4.23.15)	protein	340	15% helix, 46% strand	P00797

Ligands and binding sites

UNL · Unknown ligand · ligand · 2 copies · chains A, B
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	549	0.83	0.89	66	empty
2	535	0.75	0.83	51	UNL
3	547	0.75	0.82	66	UNL
4	221	0.65	0.84	34	empty
5	243	0.53	0.76	31	empty

Interfaces

1 interface between chains.

A–B · 1170 Å² buried · 19 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

7XGK · Human renin in complex with compound1 · 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 P00797
Elsewhere: RCSB PDB 7XGK · PDBe 7XGK · UniProt P00797

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