MolNFT v1 · #11397 · protein

Crystal structure of Y188C mutant HIV-1 reverse transcriptase

1JLE · HIV-1 rt, a-chain: “Crystal structure of Y188C mutant HIV-1 reverse transcriptase”. X-ray diffraction, 12 pockets (best druggability 0.78). MolNFT v1 #11397 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1JLE
Type: protein
Length: 934 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: HIV-1 rt, a-chain; HIV-1 rt, B-chain
EC: 2.7.7.49
UniProt: P04585
Pockets: 12 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	HIV-1 rt, a-chain (EC 2.7.7.49)	protein	526	33% helix, 22% strand	P04585
B	HIV-1 rt, B-chain (EC 2.7.7.49)	protein	408	35% helix, 19% strand	P04585

Pockets

12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	848	0.78	0.81	82	empty
2	776	0.73	0.78	65	empty
3	261	0.68	0.84	39	empty
4	425	0.63	0.77	39	empty
5	420	0.61	0.76	39	empty

Interfaces

1 interface between chains.

A–B · 2712 Å² buried · 24 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (oxidation).

Compared structures

1JLE · Crystal structure of Y188C mutant HIV-1 reverse transcriptase · 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 P04585
Elsewhere: RCSB PDB 1JLE · PDBe 1JLE · UniProt P04585

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