MolNFT v2 · #226699 · protein

Mycolicibacterium smegmatis ClpS with TrpSer dipeptide and Mg2+

9B1P · ATP-dependent Clp protease adapter protein ClpS: “Mycolicibacterium smegmatis ClpS with TrpSer dipeptide and Mg2+”. X-ray diffraction at 1.75, 2 ligands (MG, NI), 1 pocket (best druggability 0.68). MolNFT v2 #226699 on GenesisL1: 3D…

PDB: 9B1P
Type: protein
Length: 159 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 1.75
Source: Mycolicibacterium smegmatis MC2 155
Molecule: ATP-dependent Clp protease adapter protein ClpS
UniProt: A0R1X7
Ligands: MG, NI
Pockets: 1 · best druggability 0.68

Structure

x-ray diffraction · resolution 1.75 · 3 distinct chains · 50% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ATP-dependent Clp protease adapter protein ClpS	protein	78	50% helix, 24% strand	A0R1X7
B	ATP-dependent Clp protease adapter protein ClpS	protein	77	51% helix, 25% strand	A0R1X7
F, G	ATP-dependent Clp protease adapter protein ClpS	protein	2	0% helix, 0% strand	A0R1X7

Ligands and binding sites

MG · Magnesium ion · metal · 4 copies · chains A, B, F, G
NI · Nickel (II) ion · metal · 3 copies · chains B, A, F, G

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	385	0.68	0.81	60	empty

Interfaces

3 interfaces between chains.

A–B · 539 Å² buried · 5 hydrogen bonds · protein-protein
B–G · 292 Å² buried · 7 hydrogen bonds · protein-protein
A–F · 288 Å² buried · 7 hydrogen bonds · protein-protein

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 A0R1X7
Elsewhere: RCSB PDB 9B1P · PDBe 9B1P · UniProt A0R1X7

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