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MolNFT v1 · #156408 · protein

The crystal structure of B. subtilis RSBV/RSBW complex in the hexagonal crystal form

6M37 · Serine-protein kinase rsbw: “The crystal structure of B. subtilis RSBV/RSBW complex in the hexagonal crystal form”. X-ray diffraction, 3 pockets (best druggability 0.51). MolNFT v1 #156408 on GenesisL1: 3D structure, binding sites…

PDB
6M37
Type
protein
Length
429 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Serine-protein kinase rsbw; Anti-sigma-B factor antagonist
EC
2.7.11.1
UniProt
P17904, P17903
Pockets
3 · best druggability 0.51

Structure

x-ray diffraction · 4 distinct chains · 41% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASerine-protein kinase rsbw (EC 2.7.11.1)protein11344% helix, 31% strandP17904
BAnti-sigma-B factor antagonistprotein10138% helix, 35% strandP17903
CSerine-protein kinase rsbw (EC 2.7.11.1)protein11544% helix, 30% strandP17904
DAnti-sigma-B factor antagonistprotein10038% helix, 37% strandP17903

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11410.510.8028empty
2680.430.8117empty
3980.340.7320empty

Interfaces

5 interfaces between chains.

  • A–C · 835 Ų buried · 9 hydrogen bonds · protein-protein
  • C–D · 803 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 776 Ų buried · 15 hydrogen bonds · protein-protein
  • B–C · 84 Ų buried · 0 hydrogen bonds · protein-protein
  • A–D · 20 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 6M37 · The crystal structure of B. subtilis RsbV/RsbW complex in the hexagonal crystal form · the same entry in another collection · chain D against D, TM-score 1.00
  • P17903 · AlphaFold monomer V2.0 prediction for anti-sigma-B factor antagonist (P17903) · a predicted model of the same protein · chain B against A, TM-score 0.96
  • P17904 · AlphaFold monomer V2.0 prediction for serine-protein kinase rsbw (P17904) · a predicted model of the same protein · chain A against A, TM-score 0.96

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