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MolNFT v1 · #10906 · protein

Crystal structure of metal-dependent hydrolase of CYTOSINEDEMANIASE/CHLOROHYDROLASE family (TM0936) from thermotoga maritima at 1.9 a resolution

1J6P: “Crystal structure of metal-dependent hydrolase of CYTOSINEDEMANIASE/CHLOROHYDROLASE family (TM0936) from…”. X-ray diffraction, 1 ligand (NI), 1 pocket (best druggability 0.66). MolNFT v1 #10906 on GenesisL1: 3D structure, binding…

PDB
1J6P
Type
protein
Length
407 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Metal-dependent hydrolase of CYTOSINEDEMANIASE/CHLOROHYDROLASE family
UniProt
Q9X034
Ligands
NI
Pockets
1 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMetal-dependent hydrolase of CYTOSINEDEMANIASE/CHLOROHYDROLASE familyprotein40739% helix, 24% strandQ9X034

Ligands and binding sites

  • NI · Nickel (II) ion · metal · chains A

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12080.660.8528empty

Modifications

Observed in the structure: 15 modified (engineered).

Compared structures

  • 1J6P · Crystal structure of Metal-dependent hydrolase of cytosinedemaniase/chlorohydrolase… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9X034 · AlphaFold monomer V2.0 prediction for 5-METHYLTHIOADENOSINE/S-adenosylhomocysteine… · a predicted model of the same protein · chain A against A, TM-score 0.99

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