Structure of PDB 7mdh Chain A Binding Site BS02

Receptor Information
>7mdh Chain A (length=351) Species: 4558 (Sorghum bicolor) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DCFGVFCTWKKLVNIAVSGAAGMISNHLLFKLASGEVFGQDQPIALKLLG
SERSFQALEGVAMELEDSLYPLLREVSIGIDPYEVFEDVDWALLIGAKPR
GPGMERAALLDINGQIFADQGKALNAVASKNVKVLVVGNPCNTNALICLK
NAPDIPAKNFHALTRLDENRAKCQLALKAGVFYDKVSNVTIWGNHSTTQV
PDFLNAKIDGRPVKEVIKRTKWLEEEFTITVQKRGGALIQKWGRSSAAST
AVSIADAIKSLVTPTPEGDWFSTGVYTTGNPYGIAEDIVFSMPCRSKGDG
DYELATDVSNDDFLWERIKKSEAELLAEKKCVAHLTGEGNAYCDVPEDTM
L
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain7mdh Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7mdh Structural basis for light activation of a chloroplast enzyme: the structure of sorghum NADP-malate dehydrogenase in its oxidized form.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D321 K363 E372
Binding residue
(residue number reindexed from 1)		D287 K329 E338
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D201 H229
Catalytic site (residue number reindexed from 1) D167 H195
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

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Molecular Function
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Biological Process
External links
PDB RCSB:7mdh, PDBe:7mdh, PDBj:7mdh
PDBsum7mdh
PubMed10194350
UniProtP17606|MDHP1_SORBI Malate dehydrogenase [NADP] 1, chloroplastic

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