Structure of PDB 4wlo Chain B Binding Site BS02

Receptor Information
>4wlo Chain B (length=314) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAKVAVLGASGGIGQPLSLLLKNSPLVSRLTLYDIAHTPGVAADLSHIET
KAAVKGYLGPEQLPDCLKGCDVVVIPAGVPRKPGMTRDDLFNTNATIVAT
LTAACAQHCPEAMICVIANPVNSTIPITAEVFKKHGVYNPNKIFGVTTLD
IVRANTFVAELKGLDPARVNVPVIGGHAGKTIIPLISQCTPKVDFPQDQL
TALTGRIQEAGTEVVKAKAGAGSATLSMAYAGARFVFSLVDAMNGKEGVV
ECSFVKSQETECTYFSTPLLLGKKGIEKNLGIGKVSSFEEKMISDAIPEL
KASIKKGEDFVKTL
Ligand information
Ligand IDOAA
InChIInChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-1
InChIKeyKHPXUQMNIQBQEV-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)CC(=O)C(=O)O
OpenEye OEToolkits 1.5.0C(C(=O)C(=O)O)C(=O)[O-]
CACTVS 3.341OC(=O)C(=O)CC([O-])=O
FormulaC4 H3 O5
NameOXALOACETATE ION
ChEMBL
DrugBankDB02637
ZINC
PDB chain4wlo Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4wlo Crystal structure of oxaloacetate and NADH bound MDH2
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R104 R110 N142 R176 H200 G234 S246
Binding residue
(residue number reindexed from 1)		R81 R87 N119 R153 H177 G211 S223
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D173 H200
Catalytic site (residue number reindexed from 1) D150 H177
Enzyme Commision number 1.1.1.37: malate dehydrogenase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
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:0030060 L-malate dehydrogenase (NAD+) activity
GO:0042802 identical protein binding
GO:0046554 L-malate dehydrogenase (NADP+) activity
Biological Process
GO:0006094 gluconeogenesis
GO:0006099 tricarboxylic acid cycle
GO:0006108 malate metabolic process
GO:0006734 NADH metabolic process
GO:0009060 aerobic respiration
GO:0019752 carboxylic acid metabolic process
GO:0043490 malate-aspartate shuttle
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0016020 membrane
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4wlo, PDBe:4wlo, PDBj:4wlo
PDBsum4wlo
PubMed
UniProtP40926|MDHM_HUMAN Malate dehydrogenase, mitochondrial (Gene Name=MDH2)

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