Structure of PDB 3no1 Chain A Binding Site BS01

Receptor Information

>3no1 Chain A (length=355) Species: 312284 (marine actinobacterium PHSC20C1)

LTITRIETIPMVAPLAHRATIVTRVHTDAGIIGEAYTGDEHETMFDIDRI
IHEELAPTLIGQDAMAIERLWDSGYKVTFDILRDRRLGLVALAAVNTAIW
DAVGKALKMPLWKLWGGYRNELPMIAIGGYYGEPLGSIADEMHNYQELGL
AGVKFKVGGLSAAEDAARITAAREAAGDDFIICIDANQGYKPAVAVDLSR
RIADLNIRWFEEPVEWHNDKRSMRDVRYQGSVPVCAGQTEFSASGCRDLM
ETGAIDVCNFDSSWSGGPTAWLRTAAIATSYDVQMGHHEEPQVSTHLLAS
QPHGTIAECFHPDRDPFWWNMITNRPKLNNGTLTLSDRPGLGWDLNWDYI
DQYRV

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: 3no1 Chain A Residue 397

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3no1 Crystal Structure of Mandelate racemase/muconate lactonizing enzyme from a Marine actinobacterium in complex with magnesium
• Resolution: 2.16 Å
• Binding residue (original residue number in PDB): D215 E241 Q268
• Binding residue (residue number reindexed from 1): D185 E211 Q238
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D69 I157 K184 K186 I214 D215 A216 N217 E241 G267 Q268 N289 D291 H318 E319 E320 E338 D343
• Catalytic site (residue number reindexed from 1): D39 I127 K154 K156 I184 D185 A186 N187 E211 G237 Q238 N259 D261 H288 E289 E290 E308 D313

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0016836 hydro-lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0016052 carbohydrate catabolic process

External links

• PDB: RCSB:3no1, PDBe:3no1, PDBj:3no1
• PDBsum: 3no1
• UniProt: A4AFX2