Structure of PDB 6zn4 Chain A Binding Site BS01

Receptor Information

>6zn4 Chain A (length=406) Species: 264462 (Bdellovibrio bacteriovorus HD100)

TNFDQEALLYHQQGKPGKIEVISSKPCATEKDLSLAYSPGVAAPCKAIAK
DPAKVYDYTAKGNLVAVISNGTAVLGLGNIGPAAGKPVMEGKGILFKQFA
GIDVFDIEVAATDVDVFCNAVRVLEPTFGGINLEDIKAPECFEIEERLKK
EMNIPVFHDDQHGTAIVSGAALLNACSITNRKMETVRIVVNGAGASANSC
AKIFIALGARRENIIMCDSQGVIYKGRTAGMNKYKEYFASETEARTLTEA
LRGADVFVGLSVAGALTPEMLKDMAKDPIIFAMANPEPEITPDKARAARP
DAIIATGRSDYPNQVNNVLGFPSIFRGALDTRSTQINEEMKLAAVHALAK
LAREDVPDKVSATYGGKSFKFGRDYLIPKPFDTRVLLWVAPEVAKAAMKS
GVATRA

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: 6zn4 Chain A Residue 801

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6zn4 A rotary mechanism for allostery in bacterial hybrid malic enzymes.
• Resolution: 1.679 Å
• Binding residue (original residue number in PDB): E149 D150 D175
• Binding residue (residue number reindexed from 1): E134 D135 D160
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Y52 A88 K107 E149 D150 D174 D175 N300
• Catalytic site (residue number reindexed from 1): Y37 A73 K92 E134 D135 D159 D160 N285
• Enzyme Commision number: 1.1.1.40: malate dehydrogenase (oxaloacetate-decarboxylating) (NADP(+)).

Gene Ontology

Molecular Function

• GO:0004470 malic enzyme activity
• GO:0004473 malate dehydrogenase (decarboxylating) (NADP+) activity
• GO:0008948 oxaloacetate decarboxylase activity
• GO:0016491 oxidoreductase activity
• GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
• GO:0051287 NAD binding

External links

• PDB: RCSB:6zn4, PDBe:6zn4, PDBj:6zn4
• PDBsum: 6zn4
• PubMed: 33623032
• UniProt: Q6MM14;
  Q6MM15