PDB Entry (6ea4)

Download

Visualizer: MichelaNGLo

PDB ID: 6ea4 Resolution: 2.45 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: None
Protein
Protein Name: Endoplasmic reticulum aminopeptidase 2
Protein Class: HYDROLASE
Uniprot ID/ACC: Q6P179 (ERAP2_HUMAN) Organism: Homo sapiens
Gene Symbol: ERAP2 Gene ID: 64167
Pocket Descriptors
Volume: 474.368 Depth: 31.1504
Hydrophobicity: 0.671088 Drug Score: 0.0311651
Pocket Similarity: Calculate
Ligand
Ligand Name:   2-(N-MORPHOLINO)-ETHANESULFONIC ACID
HET ID:   MES PubChem:   4478249, 78165
DrugBank:   DB03814 ChEMBL:   CHEMBL1234276
Canonical SMILES:   [O-]S(=O)(=O)CC[NH+]1CCOCC1
Standard InChI:   InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
Molecular Formula:   C6H13NO4S Mol. Weight:   195.23672 Heavy Atoms:   12
Charge:   0 Is Chiral:   False logP:   0.0967
HBD:   1 HBA:   4 TPSA:   79.25
#Bonds:   13 #Rotatable Bonds:   3 Shape Complexity:   1.0
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
-