MolNFT v1 · #102093 · protein

Crystal structure of inactive HIV-1 protease in complex with the P1-P6 substrate variant (L449F/S451N)

4OBK: “Crystal structure of inactive HIV-1 protease in complex with the P1-P6 substrate variant (L449F/S451N)”. X-ray diffraction. MolNFT v1 #102093 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4OBK
Type: protein
Length: 208 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: HIV-1 protease; P1-P6 peptide
EC: 3.4.23.16
UniProt: P03369, P03349

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 53% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	HIV-1 protease (EC 3.4.23.16)	protein	99	4% helix, 56% strand	P03369
C	P1-P6 peptide	protein	10	0% helix, 30% strand	P03349

Ligands and binding sites

GOL · Glycerol · additive · 3 copies · chains A, B, C
EDO · 1,2-ethanediol · additive · chains A, B, C
ACT · Acetate ion · additive · chains A

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

Interfaces

3 interfaces between chains.

A–B · 1840 Å² buried · 37 hydrogen bonds · protein-protein
A–C · 648 Å² buried · 13 hydrogen bonds · protein-protein
B–C · 527 Å² buried · 7 hydrogen bonds · protein-protein

Compared structures

4OBK · Crystal structure of inactive HIV-1 protease in complex with the P1-P6 substrate variant… · 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 P03369
Every structure of UniProt P03349
Elsewhere: RCSB PDB 4OBK · PDBe 4OBK · UniProt P03369 · UniProt P03349

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