MolNFT v1 · #90454 · protein

Staphylococcus epidermidis tcar in complex with streptomycin

4EJW · Transcriptional regulator tcar: “Staphylococcus epidermidis tcar in complex with streptomycin”. X-ray diffraction, 1 ligand (SRY), 2 pockets (best druggability 0.88). MolNFT v1 #90454 on GenesisL1: 3D structure, binding sites and…

PDB: 4EJW
Type: protein
Length: 273 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcriptional regulator tcar
UniProt: Q5HLN6
Ligands: SRY
Pockets: 2 · best druggability 0.88

Structure

x-ray diffraction · 2 distinct chains · 72% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transcriptional regulator tcar	protein	136	73% helix, 3% strand	Q5HLN6
B	Transcriptional regulator tcar	protein	137	72% helix, 5% strand	Q5HLN6

Ligands and binding sites

SRY · Streptomycin · ligand · 2 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1147	0.88	0.90	108	SRY
2	68	0.29	0.74	16	empty

Interfaces

1 interface between chains.

A–B · 3033 Å² buried · 27 hydrogen bonds · protein-protein

Compared structures

4EJW · Staphylococcus epidermidis TcaR in complex with streptomycin · 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 Q5HLN6
Elsewhere: RCSB PDB 4EJW · PDBe 4EJW · UniProt Q5HLN6

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