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Crystal structure of dimethylarginine dimethylaminohydrolase I in complex with citrulline

Analyse Crystal structure of dimethylarginine dimethylaminohydrolase I in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2C6Z
Type
protein
Length
273 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ng, ng-dimethylarginine dimethylaminohydrolase 1
EC
3.5.3.18
UniProt
P56965
Ligands
CIR
Pockets
2 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANg, ng-dimethylarginine dimethylaminohydrolase 1 (EC 3.5.3.18)protein27332% helix, 26% strandP56965

Ligands and binding sites

  • CIR · Citrulline · ligand · chains A
  • CIT · Citric acid · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13600.830.9131empty
2570.620.9321CIR

Compared structures

  • 2C6Z · crystal structure of dimethylarginine dimethylaminohydrolase I in complex with citrulline · the same entry in another collection · chain A against A, TM-score 1.00
  • P56965 · AlphaFold monomer V2.0 prediction for N(G),N(G)-dimethylarginine dimethylaminohydrolase 1… · a predicted model of the same protein · chain A against A, TM-score 1.00

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