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MolNFT v1 · #141363 · protein

Crystal structure of pacysb ntd domain with space group C2

5Z4Z · Transcriptional regulator cysb: “Crystal structure of pacysb ntd domain with space group C2”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.67). MolNFT v1 #141363 on GenesisL1: 3D structure, binding sites and…

PDB
5Z4Z
Type
protein
Length
266 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcriptional regulator cysb
UniProt
A0A2C6M5K9
Ligands
SO4
Pockets
4 · best druggability 0.67

Structure

x-ray diffraction · 3 distinct chains · 69% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscriptional regulator cysbprotein8868% helix, 8% strandA0A2C6M5K9
BTranscriptional regulator cysbprotein9070% helix, 8% strandA0A2C6M5K9
CTranscriptional regulator cysbprotein8868% helix, 8% strandA0A2C6M5K9

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains A

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12850.670.8228empty
2930.410.7815empty
31000.390.7515empty
4680.290.7312empty

Interfaces

3 interfaces between chains.

  • A–B · 1124 Ų buried · 1 hydrogen bond · protein-protein
  • A–C · 392 Ų buried · 5 hydrogen bonds · protein-protein
  • B–C · 195 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 5Z4Z · Crystal structure of PaCysB NTD domain with space group C2 · the same entry in another collection · chain A against A, TM-score 1.00

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