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Crystal structure of unliganded azt-resistant HIV-1 reverse transcriptase

Analyse Crystal structure of unliganded azt-resistant HIV-1 reverse transcriptase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3KLI
Type: protein
Length: 978 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Reverse TRANSCRIPTASE/RIBONUCLEASE H; P51 rt
EC: 2.7.7.49, 2.7.7.7, 3.1.26.4
UniProt: P03366
Pockets: 14 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Reverse TRANSCRIPTASE/RIBONUCLEASE H (EC 2.7.7.49, 2.7.7.7, 3.1.26.4)	protein	551	32% helix, 22% strand	P03366
B	P51 rt	protein	427	33% helix, 18% strand	P03366

Pockets

14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	861	0.80	0.82	69	empty
2	782	0.75	0.80	76	empty
3	689	0.74	0.80	50	empty
4	908	0.74	0.78	84	empty
5	496	0.63	0.76	60	empty

Interfaces

1 interface between chains.

A–B · 2803 Å² buried · 29 hydrogen bonds · protein-protein

Compared structures

3KLI · Crystal structure of unliganded AZT-resistant 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 P03366
Elsewhere: RCSB PDB 3KLI · PDBe 3KLI · UniProt P03366

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