MolNFT v1 · #155903 · protein

Crystal structure of HIV-1 integrase catalytic core domain in complex with 2-(tert-butoxy)-2-[3-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-6- methanesulfonamido-2,3',4',5-tetramethyl-[1,1'-biphenyl]-4-YL]ACETIC acid

6LMQ: “Crystal structure of HIV-1 integrase catalytic core domain in complex with…”. X-ray diffraction, 2 ligands (940, SO4). MolNFT v1 #155903 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6LMQ
Type: protein
Length: 143 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Integrase catalytic
EC: 2.7.7.-
UniProt: P12497
Ligands: 940, SO4

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Integrase catalytic (EC 2.7.7.-)	protein	143	49% helix, 20% strand	P12497

Ligands and binding sites

940 · (2S)-2-[2-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-4-(3,4-dimethylphenyl)-3,6-dimethyl-5-(methylsulfonylamino) phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid · ligand · chains A
SO4 · Sulfate ion · ion · 2 copies · chains A
PGE · Triethylene glycol · additive · chains A

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

Modifications

Observed in the structure: 2 modified (nonstandard).

Compared structures

6LMQ · Crystal structure of HIV-1 integrase catalytic core domain in complex with… · 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 P12497
Elsewhere: RCSB PDB 6LMQ · PDBe 6LMQ · UniProt P12497

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