MolNFT v1 · #147958 · protein

Artificial imine reductase mutant S112A-N118P-K121A-S122M

6ESU · Streptavidin: “Artificial imine reductase mutant S112A-N118P-K121A-S122M”. X-ray diffraction, 3 ligands (6IR, IR, SO4), 1 pocket (best druggability 0.48). MolNFT v1 #147958 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 6ESU
Type: protein
Length: 123 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Streptavidin
UniProt: P22629
Ligands: 6IR, IR, SO4
Pockets: 1 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 54% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Streptavidin	protein	123	6% helix, 54% strand	P22629

Ligands and binding sites

6IR · 5-[(3~{A}~{S},4~{S},6~{A}~{R})-2-oxidanylidene-1,3, 3~{A},4,6,6~{A}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[4-(2-azanylethylsulfamoyl)phenyl]pentanamide · ligand · chains A
IR · Iridium ion · metal · 4 copies · chains A
SO4 · Sulfate ion · ion · chains A
ACT · Acetate ion · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	103	0.48	0.80	17	6IR

Compared structures

6ESU · Artificial imine reductase mutant S112A-N118P-K121A-S122M · 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 P22629
Elsewhere: RCSB PDB 6ESU · PDBe 6ESU · UniProt P22629

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