MolNFT v1 · #1728 · protein

Crystal structure of rous sarcoma virus protease in complex with inhibitor

1BAI: “Crystal structure of rous sarcoma virus protease in complex with inhibitor”. X-ray diffraction, 1 ligand (0Q4), 1 pocket (best druggability 0.70). MolNFT v1 #1728 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1BAI
Type: protein
Length: 248 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protease
UniProt: O92805
Ligands: 0Q4
Pockets: 1 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 44% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Protease	protein	124	5% helix, 44% strand	O92805

Ligands and binding sites

0Q4 · N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide · ligand · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	449	0.70	0.81	39	0Q4

Interfaces

1 interface between chains.

A–B · 1884 Å² buried · 51 hydrogen bonds · protein-protein

Compared structures

1BAI · Crystal structure of Rous sarcoma virus protease in complex with inhibitor · 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 O92805
Elsewhere: RCSB PDB 1BAI · PDBe 1BAI · UniProt O92805

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