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MolNFT v1 · #180205 · protein

Crystal structure of prototype foamy virus protease-reverse transcriptase csh mutant (selenomethionine-labeled)

7KSE · Peptidase A9/REVERSE TRANSCRIPTASE/RNASE H: “Crystal structure of prototype foamy virus protease-reverse transcriptase csh mutant…”. X-ray diffraction, 1 ligand (CA), 11 pockets (best druggability 0.85). MolNFT v1 #180205 on…

PDB
7KSE
Type
protein
Length
742 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Peptidase A9/REVERSE TRANSCRIPTASE/RNASE H
EC
2.7.7.49, 2.7.7.7, 3.1.26.4
UniProt
A0A1Q1N9V8
Ligands
CA
Pockets
11 · best druggability 0.85

Structure

x-ray diffraction · 1 distinct chain · 29% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeptidase A9/REVERSE TRANSCRIPTASE/RNASE H (EC 2.7.7.49, 2.7.7.7, 3.1.26.4)protein74229% helix, 25% strandA0A1Q1N9V8

Ligands and binding sites

  • CA · Calcium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111240.850.8699empty
2800.730.9617empty
35330.680.7863empty
43350.630.7951empty
51130.570.8426empty

Modifications

Observed in the structure: 13 modified (engineered).

Compared structures

  • 7KSE · Crystal structure of Prototype Foamy Virus Protease-Reverse Transcriptase CSH mutant… · the same entry in another collection · chain A against A, TM-score 1.00

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