Structure of PDB 1uxi Chain A Binding Site BS02

Receptor Information
>1uxi Chain A (length=308) Species: 1108 (Chloroflexus aurantiacus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RKKISIIGAGFVGSTTAHWLAAKELGDIVLLDIVEGVPQGKALDLYEASP
IEGFDVRVTGTNNYADTANSDVIVVTSGAPRKPGMSREDLIKVNADITRA
CISQAAPLSPNAVIIMVNNPLDAMTYLAAEVSGFPKERVIGQAGVLDAAR
YRTFIAMEAGVSVKDVQAMLMGGHGDEMVPLPRFSTISGIPVSEFIAPDR
LAQIVERTRKGGGEIVNLLKTGSAYYAPAAATAQMVEAVLKDKKRVMPVA
AYLTGQYGLNDIYFGVPVILGAGGVEKILELPLNEEEMALLNASAKAVRA
TLDTLKSL
Ligand information
Ligand IDFUM
InChIInChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+
InChIKeyVZCYOOQTPOCHFL-OWOJBTEDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(=CC(=O)O)C(=O)O
OpenEye OEToolkits 1.7.6C(=C/C(=O)O)\C(=O)O
CACTVS 3.370OC(=O)\C=C\C(O)=O
ACDLabs 12.01O=C(O)\C=C\C(=O)O
CACTVS 3.370OC(=O)C=CC(O)=O
FormulaC4 H4 O4
NameFUMARIC ACID
ChEMBLCHEMBL503160
DrugBankDB01677
ZINCZINC000003860193
PDB chain1uxi Chain A Residue 1311 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1uxi Large Improvement in the Thermal Stability of a Tetrameric Malate Dehydrogenase by Single Point Mutations at the Dimer-Dimer Interface.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		R82 R88 L147 R151 H175 G213 S224
Binding residue
(residue number reindexed from 1)		R81 R87 L146 R150 H174 G212 S223
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R88 D148 R151 H175
Catalytic site (residue number reindexed from 1) R87 D147 R150 H174
Enzyme Commision number 1.1.1.37: malate dehydrogenase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016491 oxidoreductase 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
Biological Process
GO:0006099 tricarboxylic acid cycle
GO:0019752 carboxylic acid metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1uxi, PDBe:1uxi, PDBj:1uxi
PDBsum1uxi
PubMed15321717
UniProtP80040|MDH_CHLAA Malate dehydrogenase (Gene Name=mdh)

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