Structure of PDB 1ib6 Chain A Binding Site BS02

Receptor Information
>1ib6 Chain A (length=312) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKVAVLGAAGGIGQALALLLKTQLPSGSELSLYDIAPVTPGVAVDLSHIP
TAVKIKGFSGEDATPALEGADVVLISAGVARKPGMDRSDLFNVNAGIVKN
LVQQVAKTCPKACIGIITNPVNTTVAIAAEVLKKAGVYDKNKLFGVTTLD
IICSNTFVAELKGKQPGEVEVPVIGGHSGVTILPLLSQVPGVSFTEQEVA
DLTKRIQNAGTEVVEAKAGGGSATLSMGQAAARFGLSLVRALQGEQGVVE
CAYVEGDGQYARFFSQPLLLGKNGVEERKSIGTLSAFEQNALEGMLDTLK
KDIALGQEFVNK
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1ib6 Chain A Residue 317 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ib6 Structural Analyses of a Malate Dehydrogenase with a Variable Active Site
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D86 R87 S88 S178 G179
Binding residue
(residue number reindexed from 1)		D86 R87 S88 S178 G179
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R87 D150 H177
Catalytic site (residue number reindexed from 1) R87 D150 H177
Enzyme Commision number 1.1.1.37: malate dehydrogenase.
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:0030060 L-malate dehydrogenase (NAD+) activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0006096 glycolytic process
GO:0006099 tricarboxylic acid cycle
GO:0006108 malate metabolic process
GO:0006113 fermentation
GO:0009061 anaerobic respiration
GO:0019752 carboxylic acid metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0016020 membrane
GO:0019898 extrinsic component of membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ib6, PDBe:1ib6, PDBj:1ib6
PDBsum1ib6
PubMed11389141
UniProtP61889|MDH_ECOLI Malate dehydrogenase (Gene Name=mdh)

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