MolNFT v1 · #167766 · protein

Reverse transcriptase diabody with S82BC/R83T mutation

6VUO · Single-chain fv: “Reverse transcriptase diabody with S82BC/R83T mutation”. X-ray diffraction, 4 pockets (best druggability 0.46). MolNFT v1 #167766 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6VUO
Type: protein
Length: 465 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Single-chain fv
Pockets: 4 · best druggability 0.46

Structure

x-ray diffraction · 2 distinct chains · 5% helix, 49% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Single-chain fv	protein	230	4% helix, 50% strand	—
B	Single-chain fv	protein	235	6% helix, 49% strand	—

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 14 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	207	0.46	0.74	30	empty
2	94	0.35	0.74	14	EDO
3	73	0.31	0.75	15	empty
4	50	0.31	0.77	13	empty

Interfaces

1 interface between chains.

A–B · 2272 Å² buried · 22 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

6VUO · Reverse Transcriptase Diabody with S82bC/R83T Mutation · 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
Elsewhere: RCSB PDB 6VUO · PDBe 6VUO

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