Structure of PDB 3fdg Chain B Binding Site BS01

Receptor Information

>3fdg Chain B (length=348) Species: 272943 (Cereibacter sphaeroides 2.4.1)

ETIPVFDGHNDFLLRLLRNPANRETIWLKGDGTGHLDLPRMKEGGFAGGF
FAIYVPSPAHFEAMMDAPPFELPLPPMIRAEQAQPVALAMAGHLLWMERA
ARGRFKVCRTAAEVRSCHADGIVSGIMHMEGAEAIGADLDALHLFHSLGL
RSLGPVWSRPTVFGHGVPFRFPGSPDTGEGLTEAGRRLVAECNRLKIMLD
LSHLNEKGFDDVARLSDAPLVATHSNAHAVTPSTRNLTDRQLAMIRESRG
MVGLNFATSFLREDGRRSAEMGWEPVLRHLDHLIDRLGEDHVGMGSDFDG
ATIPQGIADVTGLPALQAAMRAHGYDEPLMRKLCHENWYGLLERSWGA

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 3fdg Chain B Residue 356

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3fdg The crystal structure of the dipeptidase AC, Metallo peptidase. MEROPS family M19
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): H11 D13 E137
• Binding residue (residue number reindexed from 1): H9 D11 E130
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H11 D13 E137 W164 H210 H231 D304
• Catalytic site (residue number reindexed from 1): H9 D11 E130 W157 H203 H224 D297
• Enzyme Commision number: 3.4.13.19: membrane dipeptidase.

Gene Ontology

Molecular Function

• GO:0016805 dipeptidase activity
• GO:0046872 metal ion binding
• GO:0070573 metallodipeptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:3fdg, PDBe:3fdg, PDBj:3fdg
• PDBsum: 3fdg
• UniProt: Q3IZQ3