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Structure of S.AUREUS clpc in complex with meca

Analyse Structure of S.AUREUS clpc in complex with meca in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6EMW
Type
protein
Length
5,070 residues
Chains
42
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ATP-dependent clp protease ATP-binding subunit; Class III stress response-related ATPase…
UniProt
A0A4V1GG18, A0A4P9AXU9, A0A0U1MEM2, W8U1E4, Q2YSD6, A0A077UK83
Pockets
20 · best druggability 0.64

Structure

electron microscopy · 7 distinct chains · 0% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, G, M, S, Y, kATP-dependent clp protease ATP-binding subunitprotein820% helix, 0% strandA0A4V1GG18
B, H, N, T, Z, lATP-dependent clp protease ATP-binding subunitprotein2100% helix, 0% strandA0A4P9AXU9
C, I, O, U, a, mClass III stress response-related ATPase, aaa+ superfamilyprotein550% helix, 0% strandA0A0U1MEM2
D, J, P, V, b, nATP-dependent clp protease ATP-binding subunit clpcprotein900% helix, 0% strandW8U1E4
E, K, Q, W, c, oATP-dependent clp protease ATP-binding subunit clpcprotein1660% helix, 0% strandQ2YSD6
F, L, R, X, d, pATP-dependent clp protease ATP-binding subunit clpcprotein1520% helix, 0% strandQ2YSD6
e, f, g, h, i, jAdapter protein mecaprotein900% helix, 0% strandA0A077UK83

Pockets

20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17270.640.74119empty
26880.620.72110empty
35430.580.7287empty
45160.580.73111empty
55240.580.7289empty

Interfaces

51 interfaces between chains.

  • F–e · 360 Ų buried · 0 hydrogen bonds · protein-protein
  • N–T · 276 Ų buried · 0 hydrogen bonds · protein-protein
  • H–M · 271 Ų buried · 0 hydrogen bonds · protein-protein
  • L–f · 271 Ų buried · 0 hydrogen bonds · protein-protein
  • Z–k · 246 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 6EMW · Structure of S.aureus ClpC in complex with MecA · the same entry in another collection · chain K against K, TM-score 1.00

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