Research workbench

Staphylococcus epidermidis tcar in complex with methicillin

Analyse Staphylococcus epidermidis tcar in complex with methicillin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3KP4
Type: protein
Length: 276 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Transcriptional regulator tcar
UniProt: Q5HLN6
Ligands: MII
Pockets: 4 · best druggability 0.88

Structure

x-ray diffraction · 2 distinct chains · 73% helix, 4% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Transcriptional regulator tcar	protein	139	72% helix, 3% strand	Q5HLN6
B	Transcriptional regulator tcar	protein	137	74% helix, 5% strand	Q5HLN6

Ligands and binding sites

MII · methicillin · ligand · 2 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1179	0.88	0.89	100	MII
2	76	0.37	0.77	16	empty
3	50	0.35	0.79	13	empty
4	61	0.30	0.75	13	empty

Interfaces

1 interface between chains.

A–B · 3121 Å² buried · 39 hydrogen bonds · protein-protein

Compared structures

3KP4 · Staphylococcus epidermidis TcaR in complex with methicillin · the same entry in another collection · chain B against B, 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 3KP4 · PDBe 3KP4 · UniProt Q5HLN6

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