Structure of PDB 7mdh Chain D Binding Site BS01

Receptor Information

>7mdh Chain D (length=352) Species: 4558 (Sorghum bicolor)

RKDCFGVFCTTYDWKKLVNIAVSGAAGMISNHLLFKLASGEVFGQDQPIA
LKLLGSERSFQALEGVAMELEDSLYPLLREVSIGIDPYEVFEDVDWALLI
GAKPRGPGMERAALLDINGQIFADQGKALNAVASKNVKVLVVGNPCNTNA
LICLKNAPDIPAKNFHALTRLDENRAKCQLALKAGVFYDKVSNVTIWGNH
STTQVPDFLNAKIDGRPVKEVIKRTKWLEEEFTITVQKRGGALIQKWGRS
SAASTAVSIADAIKSLVTPTPEGDWFSTGVYTTGNPYGIAEDIVFSMPCR
SKGDGDYELATDVSNDDFLWERIKKSEAELLAEKKCVAHLTGEGNAYCDV
PE

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 7mdh Chain D Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7mdh Structural basis for light activation of a chloroplast enzyme: the structure of sorghum NADP-malate dehydrogenase in its oxidized form.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): D145 H368
• Binding residue (residue number reindexed from 1): D116 H339
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D201 H229
• Catalytic site (residue number reindexed from 1): D172 H200
• Enzyme Commision number: 1.1.1.82: malate dehydrogenase (NADP(+)).

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0016491 oxidoreductase activity
• GO:0016615 malate dehydrogenase activity
• GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
• GO:0046554 L-malate dehydrogenase (NADP+) activity

Biological Process

• GO:0006108 malate metabolic process

External links

• PDB: RCSB:7mdh, PDBe:7mdh, PDBj:7mdh
• PDBsum: 7mdh
• PubMed: 10194350
• UniProt: P17606|MDHP1_SORBI Malate dehydrogenase [NADP] 1, chloroplastic