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MolNFT v1 · #58449 · protein

Periplasmic sensor domain of chemotaxis protein GSU0935

3B42 · Methyl-accepting chemotaxis protein, putative: “Periplasmic sensor domain of chemotaxis protein GSU0935”. X-ray diffraction, 1 ligand (HEM), 4 pockets (best druggability 0.69). MolNFT v1 #58449 on GenesisL1: 3D structure, binding…

PDB
3B42
Type
protein
Length
255 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Methyl-accepting chemotaxis protein, putative
UniProt
Q74EM7
Ligands
HEM
Pockets
4 · best druggability 0.69

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMethyl-accepting chemotaxis protein, putativeprotein12640% helix, 31% strandQ74EM7
BMethyl-accepting chemotaxis protein, putativeprotein12940% helix, 28% strandQ74EM7

Ligands and binding sites

  • HEM · Protoporphyrin IX containing Fe · 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, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1560.690.9719empty
21300.610.8620empty
31330.530.8123HEM
41200.470.7926HEM

Interfaces

1 interface between chains.

  • A–B · 2591 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 cofactor (heme attachment).

Compared structures

  • 3B42 · Periplasmic sensor domain of chemotaxis protein GSU0935 · the same entry in another collection · chain A against A, TM-score 1.00

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