Structure of PDB 2dfd Chain B Binding Site BS02

Receptor Information
>2dfd 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 IDHIS
InChIInChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/p+1/t5-/m0/s1
InChIKeyHNDVDQJCIGZPNO-YFKPBYRVSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c([nH+]c[nH]1)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c[nH+]1)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH]c[nH+]1)C(O)=O
ACDLabs 10.04O=C(O)C(N)Cc1cnc[nH+]1
OpenEye OEToolkits 1.5.0c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N
FormulaC6 H10 N3 O2
NameHISTIDINE
ChEMBL
DrugBank
ZINC
PDB chain2dfd Chain B Residue 3401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2dfd Crystal Structure of Human Malate Dehydrogenase Type 2
Resolution1.9 Å
Binding residue
(original residue number in PDB)		A172 V174 N175
Binding residue
(residue number reindexed from 1)		A167 V169 N170
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D155 H182
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:2dfd, PDBe:2dfd, PDBj:2dfd
PDBsum2dfd
PubMed
UniProtP40926|MDHM_HUMAN Malate dehydrogenase, mitochondrial (Gene Name=MDH2)

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