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MolNFT v1 · #31240 · protein

Crystal structure analysis of HIV-1 protease mutant V82A with a substrate analog P6-pr

2AOH · Pol polyprotein: “Crystal structure analysis of HIV-1 protease mutant V82A with a substrate analog P6-pr”. X-ray diffraction, 2 ligands (NA, CL). MolNFT v1 #31240 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2AOH
Type
protein
Length
208 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
NA, CL

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 54% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPol polyprotein (EC 3.4.23.16)protein994% helix, 55% strandP04587
CPeptide inhibitorprotein100% helix, 50% strand—

Ligands and binding sites

  • NA · Sodium ion · metal · chains A
  • CL · Chloride ion · ion · 2 copies · chains B

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

Interfaces

3 interfaces between chains.

  • A–B · 1879 Ų buried · 35 hydrogen bonds · protein-protein
  • B–C · 582 Ų buried · 12 hydrogen bonds · protein-protein
  • A–C · 507 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (nonstandard).

Compared structures

  • 2AOH · Crystal structure analysis of HIV-1 Protease mutant V82A with a substrate analog P6-PR · the same entry in another collection · chain A against A, TM-score 1.00

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