MolNFT v1 · #31242 · protein

Crystal structure analysis of HIV-1 protease with a substrate analog P6-pr

2AOJ · Pol polyprotein: “Crystal structure analysis of HIV-1 protease with a substrate analog P6-pr”. X-ray diffraction, 1 ligand (NH2). MolNFT v1 #31242 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2AOJ
Type: protein
Length: 209 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pol polyprotein; Peptide inhibitor
EC: 3.4.23.16
UniProt: P04587
Ligands: NH2

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 53% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Pol polyprotein (EC 3.4.23.16)	protein	99	7% helix, 55% strand	P04587
C	Peptide inhibitor	protein	11	0% helix, 36% strand	—

Ligands and binding sites

NH2 · Amino group · ion · chains C
ACY · Acetic acid · additive · 4 copies · chains A
DMS · Dimethyl sulfoxide · additive · 2 copies · chains A, B
GOL · Glycerol · additive · chains B

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

Interfaces

3 interfaces between chains.

A–B · 1882 Å² buried · 35 hydrogen bonds · protein-protein
B–C · 567 Å² buried · 10 hydrogen bonds · protein-protein
A–C · 532 Å² buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (nonstandard).

Compared structures

2AOJ · Crystal structure analysis of HIV-1 protease with a substrate analog P6-PR · 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 P04587
Elsewhere: RCSB PDB 2AOJ · PDBe 2AOJ · UniProt P04587

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